Many real-world applications of reinforcement learning (RL) require the agent to learn from a fixed set of trajectories, without collecting new interactions. Policy optimization under this setting is extremely challenging as: 1) the geometry of the objective function is hard to optimize efficiently; 2) the shift of data distributions causes high noise in the value estimation. In this work, we propose a simple yet effective policy iteration approach to batch RL using global optimization techniques known as continuation. By constraining the difference between the learned policy and the behavior policy that generates the fixed trajectories, and continuously relaxing the constraint, our method 1) helps the agent escape local optima; 2) reduces the error in policy evaluation in the optimization procedure. We present results on a variety of control tasks, game environments, and a recommendation task to empirically demonstrate the efficacy of our proposed method.

Knowledge distillation, in which a student model is trained to mimic a teacher model, has been proved as an effective technique for model compression and model accuracy boosting. However, most knowledge distillation methods, designed for image classification, have failed on more challenging tasks, such as object detection. In this paper, we suggest that the failure of knowledge distillation on object detection is mainly caused by two reasons: (1) the imbalance between pixels of foreground and background and (2) lack of distillation on the relation between different pixels. Observing the above reasons, we propose attention-guided distillation and non-local distillation to address the two problems, respectively. Attention-guided distillation is proposed to find the crucial pixels of foreground objects with attention mechanism and then make the students take more effort to learn their features. Non-local distillation is proposed to enable students to learn not only the feature of an individual pixel but also the relation between different pixels captured by non-local modules. Experiments show that our methods achieve excellent AP improvements on both one-stage and two-stage, both anchor-based and anchor-free detectors. For example, Faster RCNN (ResNet101 backbone) with our distillation achieves 43.9 AP on COCO2017, which is 4.1 higher than the baseline. Codes …

Sparsity in Deep Neural Networks (DNNs) has been widely studied to compress and accelerate the models on resource-constrained environments. It can be generally categorized into unstructured fine-grained sparsity that zeroes out multiple individual weights distributed across the neural network, and structured coarse-grained sparsity which prunes blocks of sub-networks of a neural network. Fine-grained sparsity can achieve a high compression ratio but is not hardware friendly and hence receives limited speed gains. On the other hand, coarse-grained sparsity cannot simultaneously achieve both apparent acceleration on modern GPUs and decent performance. In this paper, we are the first to study training from scratch an N:M fine-grained structured sparse network, which can maintain the advantages of both unstructured fine-grained sparsity and structured coarse-grained sparsity simultaneously on specifically designed GPUs. Specifically, a 2 : 4 sparse network could achieve 2× speed-up without performance drop on Nvidia A100 GPUs. Furthermore, we propose a novel and effective ingredient, sparse-refined straight-through estimator (SR-STE), to alleviate the negative influence of the approximated gradients computed by vanilla STE during optimization. We also define a metric, Sparse Architecture Divergence (SAD), to measure the sparse network’s topology change during the training process. Finally, We justify SR-STE’s advantages with SAD and demonstrate …

A common approach to define convolutions on meshes is to interpret them as a graph and apply graph convolutional networks (GCNs). Such GCNs utilize isotropic kernels and are therefore insensitive to the relative orientation of vertices and thus to the geometry of the mesh as a whole. We propose Gauge Equivariant Mesh CNNs which generalize GCNs to apply anisotropic gauge equivariant kernels. Since the resulting features carry orientation information, we introduce a geometric message passing scheme defined by parallel transporting features over mesh edges. Our experiments validate the significantly improved expressivity of the proposed model over conventional GCNs and other methods.

Though convolutional neural networks (CNNs) have demonstrated remarkable ability in learning discriminative features, they often generalize poorly to unseen domains. Domain generalization aims to address this problem by learning from a set of source domains a model that is generalizable to any unseen domain. In this paper, a novel approach is proposed based on probabilistically mixing instance-level feature statistics of training samples across source domains. Our method, termed MixStyle, is motivated by the observation that visual domain is closely related to image style (e.g., photo vs.~sketch images). Such style information is captured by the bottom layers of a CNN where our proposed style-mixing takes place. Mixing styles of training instances results in novel domains being synthesized implicitly, which increase the domain diversity of the source domains, and hence the generalizability of the trained model. MixStyle fits into mini-batch training perfectly and is extremely easy to implement. The effectiveness of MixStyle is demonstrated on a wide range of tasks including category classification, instance retrieval and reinforcement learning.

Graphs are one of the most important data structures for representing pairwise relations between objects. Specifically, a graph embedded in a Euclidean space is essential to solving real problems, such as physical simulations. A crucial requirement for applying graphs in Euclidean spaces to physical simulations is learning and inferring the isometric transformation invariant and equivariant features in a computationally efficient manner. In this paper, we propose a set of transformation invariant and equivariant models based on graph convolutional networks, called IsoGCNs. We demonstrate that the proposed model has a competitive performance compared to state-of-the-art methods on tasks related to geometrical and physical simulation data. Moreover, the proposed model can scale up to graphs with 1M vertices and conduct an inference faster than a conventional finite element analysis, which the existing equivariant models cannot achieve.

Reinforcement learning has been shown to be highly successful at many challenging tasks. However, success heavily relies on well-shaped rewards. Intrinsically motivated RL attempts to remove this constraint by defining an intrinsic reward function. Motivated by the self-consciousness concept in psychology, we make a natural assumption that the agent knows what constitutes itself, and propose a new intrinsic objective that encourages the agent to have maximum control on the environment. We mathematically formalize this reward as the mutual information between the agent state and the surrounding state under the current agent policy. With this new intrinsic motivation, we are able to outperform previous methods, including being able to complete the pick-and-place task for the first time without using any task reward. A video showing experimental results is available at https://youtu.be/AUCwc9RThpk.

Due to the need to store the intermediate activations for back-propagation, end-to-end (E2E) training of deep networks usually suffers from high GPUs memory footprint. This paper aims to address this problem by revisiting the locally supervised learning, where a network is split into gradient-isolated modules and trained with local supervision. We experimentally show that simply training local modules with E2E loss tends to collapse task-relevant information at early layers, and hence hurts the performance of the full model. To avoid this issue, we propose an information propagation (InfoPro) loss, which encourages local modules to preserve as much useful information as possible, while progressively discard task-irrelevant information. As InfoPro loss is difficult to compute in its original form, we derive a feasible upper bound as a surrogate optimization objective, yielding a simple but effective algorithm. In fact, we show that the proposed method boils down to minimizing the combination of a reconstruction loss and a normal cross-entropy/contrastive term. Extensive empirical results on five datasets (i.e., CIFAR, SVHN, STL-10, ImageNet and Cityscapes) validate that InfoPro is capable of achieving competitive performance with less than 40% memory footprint compared to E2E training, while allowing using training data with higher-resolution or larger batch sizes …

Capturing the structure of a data-generating process by means of appropriate inductive biases can help in learning models that generalise well and are robust to changes in the input distribution. While methods that harness spatial and temporal structures find broad application, recent work has demonstrated the potential of models that leverage sparse and modular structure using an ensemble of sparingly interacting modules. In this work, we take a step towards dynamic models that are capable of simultaneously exploiting both modular and spatiotemporal structures. To this end, we model the dynamical system as a collection of autonomous but sparsely interacting sub-systems that interact according to a learned topology which is informed by the spatial structure of the underlying system. This gives rise to a class of models that are well suited for capturing the dynamics of systems that only offer local views into their state, along with corresponding spatial locations of those views. On the tasks of video prediction from cropped frames and multi-agent world modelling from partial observations in the challenging Starcraft2 domain, we find our models to be more robust to the number of available views and better capable of generalisation to novel tasks without additional training than strong …

A key appeal of the recently proposed Neural Ordinary Differential Equation (ODE) framework is that it seems to provide a continuous-time extension of discrete residual neural networks. As we show herein, though, trained Neural ODE models actually depend on the specific numerical method used during training. If the trained model is supposed to be a flow generated from an ODE, it should be possible to choose another numerical solver with equal or smaller numerical error without loss of performance. We observe that if training relies on a solver with overly coarse discretization, then testing with another solver of equal or smaller numerical error results in a sharp drop in accuracy. In such cases, the combination of vector field and numerical method cannot be interpreted as a flow generated from an ODE, which arguably poses a fatal breakdown of the Neural ODE concept. We observe, however, that there exists a critical step size beyond which the training yields a valid ODE vector field. We propose a method that monitors the behavior of the ODE solver during training to adapt its step size, aiming to ensure a valid ODE without unnecessarily increasing computational cost. We verify this adaption algorithm on a common …

The COVID-19 pandemic has spread rapidly worldwide, overwhelming manual contact tracing in many countries and resulting in widespread lockdowns for emergency containment. Large-scale digital contact tracing (DCT) has emerged as a potential solution to resume economic and social activity while minimizing spread of the virus. Various DCT methods have been proposed, each making trade-offs be-tween privacy, mobility restrictions, and public health. The most common approach, binary contact tracing (BCT), models infection as a binary event, informed only by an individual’s test results, with corresponding binary recommendations that either all or none of the individual’s contacts quarantine. BCT ignores the inherent uncertainty in contacts and the infection process, which could be used to tailor messaging to high-risk individuals, and prompt proactive testing or earlier warnings. It also does not make use of observations such as symptoms or pre-existing medical conditions, which could be used to make more accurate infectiousness predictions. In this paper, we use a recently-proposed COVID-19 epidemiological simulator to develop and test methods that can be deployed to a smartphone to locally and proactively predict an individual’s infectiousness (risk of infecting others) based on their contact history and other information, while respecting strong privacy constraints. Predictions are used to …

In this work, we examine the security of InstaHide, a scheme recently proposed by \cite{hsla20} for preserving the security of private datasets in the context of distributed learning. To generate a synthetic training example to be shared among the distributed learners, InstaHide takes a convex combination of private feature vectors and randomly flips the sign of each entry of the resulting vector with probability 1/2. A salient question is whether this scheme is secure in any provable sense, perhaps under a plausible complexity-theoretic assumption.

The answer to this turns out to be quite subtle and closely related to the average-case complexity of a multi-task, missing-data version of the classic problem of phase retrieval that is interesting in its own right. Motivated by this connection, under the standard distributional assumption that the public/private feature vectors are isotropic Gaussian, we design an algorithm that can actually recover a private vector using only the public vectors and a sequence of synthetic vectors generated by InstaHide.

Most recent few-shot learning (FSL) approaches are based on episodic training whereby each episode samples few training instances (shots) per class to imitate the test condition. However, this strict adhering to test condition has a negative side effect, that is, the trained model is susceptible to the poor sampling of few shots. In this work, for the first time, this problem is addressed by exploiting inter-episode relationships. Specifically, a novel meta-learning via modeling episode-level relationships (MELR) framework is proposed. By sampling two episodes containing the same set of classes for meta-training, MELR is designed to ensure that the meta-learned model is robust against the presence of poorly-sampled shots in the meta-test stage. This is achieved through two key components: (1) a Cross-Episode Attention Module (CEAM) to improve the ability of alleviating the effects of poorly-sampled shots, and (2) a Cross-Episode Consistency Regularization (CECR) to enforce that the two classifiers learned from the two episodes are consistent even when there are unrepresentative instances. Extensive experiments for non-transductive standard FSL on two benchmarks show that our MELR achieves 1.0%-5.0% improvements over the baseline (i.e., ProtoNet) used for FSL in our model and outperforms the latest competitors under the same settings.

Batch normalization plays a crucial role when training deep neural networks. However, batch statistics become unstable with small batch sizes and are unreliable in the presence of distribution shifts. We propose MetaNorm, a simple yet effective meta-learning normalization. It tackles the aforementioned issues in a unified way by leveraging the meta-learning setting and learns to infer adaptive statistics for batch normalization. MetaNorm is generic, flexible and model-agnostic, making it a simple plug-and-play module that is seamlessly embedded into existing meta-learning approaches. It can be efficiently implemented by lightweight hypernetworks with low computational cost. We verify its effectiveness by extensive evaluation on representative tasks suffering from the small batch and domain shift problems: few-shot learning and domain generalization. We further introduce an even more challenging setting: few-shot domain generalization. Results demonstrate that MetaNorm consistently achieves better, or at least competitive, accuracy compared to existing batch normalization methods.

Traditional off-policy actor-critic Reinforcement Learning (RL) algorithms learn value functions of a single target policy. However, when value functions are updated to track the learned policy, they forget potentially useful information about old policies. We introduce a class of value functions called Parameter-Based Value Functions (PBVFs) whose inputs include the policy parameters. They can generalize across different policies. PBVFs can evaluate the performance of any policy given a state, a state-action pair, or a distribution over the RL agent's initial states. First we show how PBVFs yield novel off-policy policy gradient theorems. Then we derive off-policy actor-critic algorithms based on PBVFs trained by Monte Carlo or Temporal Difference methods. We show how learned PBVFs can zero-shot learn new policies that outperform any policy seen during training. Finally our algorithms are evaluated on a selection of discrete and continuous control tasks using shallow policies and deep neural networks. Their performance is comparable to state-of-the-art methods.

Pretrained text encoders, such as BERT, have been applied increasingly in various natural language processing (NLP) tasks, and have recently demonstrated significant performance gains. However, recent studies have demonstrated the existence of social bias in these pretrained NLP models. Although prior works have made progress on word-level debiasing, improved sentence-level fairness of pretrained encoders still lacks exploration. In this paper, we proposed the first neural debiasing method for a pretrained sentence encoder, which transforms the pretrained encoder outputs into debiased representations via a fair filter (FairFil) network. To learn the FairFil, we introduce a contrastive learning framework that not only minimizes the correlation between filtered embeddings and bias words but also preserves rich semantic information of the original sentences. On real-world datasets, our FairFil effectively reduces the bias degree of pretrained text encoders, while continuously showing desirable performance on downstream tasks. Moreover, our post hoc method does not require any retraining of the text encoders, further enlarging FairFil's application space.

Robustness against word substitutions has a well-defined and widely acceptable form, i.e., using semantically similar words as substitutions, and thus it is considered as a fundamental stepping-stone towards broader robustness in natural language processing. Previous defense methods capture word substitutions in vector space by using either l_2-ball or hyper-rectangle, which results in perturbation sets that are not inclusive enough or unnecessarily large, and thus impedes mimicry of worst cases for robust training. In this paper, we introduce a novel Adversarial Sparse Convex Combination (ASCC) method. We model the word substitution attack space as a convex hull and leverages a regularization term to enforce perturbation towards an actual substitution, thus aligning our modeling better with the discrete textual space. Based on ASCC method, we further propose ASCC-defense, which leverages ASCC to generate worst-case perturbations and incorporates adversarial training towards robustness. Experiments show that ASCC-defense outperforms the current state-of-the-arts in terms of robustness on two prevailing NLP tasks, i.e., sentiment analysis and natural language inference, concerning several attacks across multiple model architectures. Besides, we also envision a new class of defense towards robustness in NLP, where our robustly trained word vectors can be plugged into a normally trained model and enforce its …

Multi-view classification (MVC) generally focuses on improving classification accuracy by using information from different views, typically integrating them into a unified comprehensive representation for downstream tasks. However, it is also crucial to dynamically assess the quality of a view for different samples in order to provide reliable uncertainty estimations, which indicate whether predictions can be trusted. To this end, we propose a novel multi-view classification method, termed trusted multi-view classification, which provides a new paradigm for multi-view learning by dynamically integrating different views at an evidence level. The algorithm jointly utilizes multiple views to promote both classification reliability (uncertainty estimation during testing) and robustness (out-of-distribution-awareness during training) by integrating evidence from each view. To achieve this, the Dirichlet distribution is used to model the distribution of the class probabilities, parameterized with evidence from different views and integrated with the Dempster-Shafer theory. The unified learning framework induces accurate uncertainty and accordingly endows the model with both reliability and robustness for out-of-distribution samples. Extensive experimental results validate the effectiveness of the proposed model in accuracy, reliability and robustness.

Learning meaningful representations that disentangle the underlying structure of the data generating process is considered to be of key importance in machine learning. While disentangled representations were found to be useful for diverse tasks such as abstract reasoning and fair classification, their scalability and real-world impact remain questionable. We introduce a new high-resolution dataset with 1M simulated images and over 1,800 annotated real-world images of the same setup. In contrast to previous work, this new dataset exhibits correlations, a complex underlying structure, and allows to evaluate transfer to unseen simulated and real-world settings where the encoder i) remains in distribution or ii) is out of distribution. We propose new architectures in order to scale disentangled representation learning to realistic high-resolution settings and conduct a large-scale empirical study of disentangled representations on this dataset. We observe that disentanglement is a good predictor for out-of-distribution (OOD) task performance.

Signatory is a library for calculating and performing functionality related to the signature and logsignature transforms. The focus is on machine learning, and as such includes features such as CPU parallelism, GPU support, and backpropagation. To our knowledge it is the first GPU-capable library for these operations. Signatory implements new features not available in previous libraries, such as efficient precomputation strategies. Furthermore, several novel algorithmic improvements are introduced, producing substantial real-world speedups even on the CPU without parallelism. The library operates as a Python wrapper around C++, and is compatible with the PyTorch ecosystem. It may be installed directly via \texttt{pip}. Source code, documentation, examples, benchmarks and tests may be found at \texttt{\url{https://github.com/patrick-kidger/signatory}}. The license is Apache-2.0.

We consider the fundamental problem of how to automatically construct summary statistics for implicit generative models where the evaluation of the likelihood function is intractable but sampling data from the model is possible. The idea is to frame the task of constructing sufficient statistics as learning mutual information maximizing representations of the data with the help of deep neural networks. The infomax learning procedure does not need to estimate any density or density ratio. We apply our approach to both traditional approximate Bayesian computation and recent neural likelihood methods, boosting their performance on a range of tasks.

The noise in stochastic gradient descent (SGD) provides a crucial implicit regularization effect, previously studied in optimization by analyzing the dynamics of parameter updates. In this paper, we are interested in learning with noisy labels, where we have a collection of samples with potential mislabeling. We show that a previously rarely discussed SGD noise, induced by stochastic label noise (SLN), mitigates the effects of inherent label noise. In contrast, the common SGD noise directly applied to model parameters does not. We formalize the differences and connections of SGD noise variants, showing that SLN induces SGD noise dependent on the sharpness of output landscape and the confidence of output probability, which may help escape from sharp minima and prevent overconfidence. SLN not only improves generalization in its simplest form but also boosts popular robust training methods, including sample selection and label correction. Specifically, we present an enhanced algorithm by applying SLN to label correction. Our code is released.

Data augmentation is an efficient way to expand a training dataset by creating additional artificial data. While data augmentation is found to be effective in improving the generalization capabilities of models for various machine learning tasks, the underlying augmentation methods are usually manually designed and carefully evaluated for each data modality separately, like image processing functions for image data and word-replacing rules for text data. In this work, we propose an automated data augmentation approach called MODALS (Modality-agnostic Automated Data Augmentation in the Latent Space) to augment data for any modality in a generic way. MODALS exploits automated data augmentation to fine-tune four universal data transformation operations in the latent space to adapt the transform to data of different modalities. Through comprehensive experiments, we demonstrate the effectiveness of MODALS on multiple datasets for text, tabular, time-series and image modalities.

Unsupervised learning aims to learn meaningful representations from unlabeled data which can captures its intrinsic structure, that can be transferred to downstream tasks. Meta-learning, whose objective is to learn to generalize across tasks such that the learned model can rapidly adapt to a novel task, shares the spirit of unsupervised learning in that the both seek to learn more effective and efficient learning procedure than learning from scratch. The fundamental difference of the two is that the most meta-learning approaches are supervised, assuming full access to the labels. However, acquiring labeled dataset for meta-training not only is costly as it requires human efforts in labeling but also limits its applications to pre-defined task distributions. In this paper, we propose a principled unsupervised meta-learning model, namely Meta-GMVAE, based on Variational Autoencoder (VAE) and set-level variational inference. Moreover, we introduce a mixture of Gaussian (GMM) prior, assuming that each modality represents each class-concept in a randomly sampled episode, which we optimize with Expectation-Maximization (EM). Then, the learned model can be used for downstream few-shot classification tasks, where we obtain task-specific parameters by performing semi-supervised EM on the latent representations of the support and query set, and predict labels of the query set …

In this paper, we use the interaction inside adversarial perturbations to explain and boost the adversarial transferability. We discover and prove the negative correlation between the adversarial transferability and the interaction inside adversarial perturbations. The negative correlation is further verified through different DNNs with various inputs. Moreover, this negative correlation can be regarded as a unified perspective to understand current transferability-boosting methods. To this end, we prove that some classic methods of enhancing the transferability essentially decease interactions inside adversarial perturbations. Based on this, we propose to directly penalize interactions during the attacking process, which significantly improves the adversarial transferability. We will release the code when the paper is accepted.

Set prediction is about learning to predict a collection of unordered variables with unknown interrelations. Training such models with set losses imposes the structure of a metric space over sets. We focus on stochastic and underdefined cases, where an incorrectly chosen loss function leads to implausible predictions. Example tasks include conditional point-cloud reconstruction and predicting future states of molecules. In this paper we propose an alternative to training via set losses, by viewing learning as conditional density estimation. Our learning framework fits deep energy-based models and approximates the intractable likelihood with gradient-guided sampling. Furthermore, we propose a stochastically augmented prediction algorithm that enables multiple predictions, reflecting the possible variations in the target set. We empirically demonstrate on a variety of datasets the capability to learn multi-modal densities and produce different plausible predictions. Our approach is competitive with previous set prediction models on standard benchmarks. More importantly, it extends the family of addressable tasks beyond those that have unambiguous predictions.

Recent studies have shown that skeletonization (pruning parameters) of networks at initialization provides all the practical benefits of sparsity both at inference and training time, while only marginally degrading their performance. However, we observe that beyond a certain level of sparsity (approx 95%), these approaches fail to preserve the network performance, and to our surprise, in many cases perform even worse than trivial random pruning. To this end, we propose an objective to find a skeletonized network with maximum foresight connection sensitivity (FORCE) whereby the trainability, in terms of connection sensitivity, of a pruned network is taken into consideration. We then propose two approximate procedures to maximize our objective (1) Iterative SNIP: allows parameters that were unimportant at earlier stages of skeletonization to become important at later stages; and (2) FORCE: iterative process that allows exploration by allowing already pruned parameters to resurrect at later stages of skeletonization. Empirical analysis on a large suite of experiments show that our approach, while providing at least as good performance as other recent approaches on moderate pruning levels, provide remarkably improved performance on high pruning levels (could remove up to 99.5% parameters while keeping the networks trainable).

We present Wasserstein Embedding for Graph Learning (WEGL), a novel and fast framework for embedding entire graphs in a vector space, in which various machine learning models are applicable for graph-level prediction tasks. We leverage new insights on defining similarity between graphs as a function of the similarity between their node embedding distributions. Specifically, we use the Wasserstein distance to measure the dissimilarity between node embeddings of different graphs. Unlike prior work, we avoid pairwise calculation of distances between graphs and reduce the computational complexity from quadratic to linear in the number of graphs. WEGL calculates Monge maps from a reference distribution to each node embedding and, based on these maps, creates a fixed-sized vector representation of the graph. We evaluate our new graph embedding approach on various benchmark graph-property prediction tasks, showing state-of-the-art classification performance while having superior computational efficiency. The code is available at https://github.com/navid-naderi/WEGL.

We prove a non-asymptotic distribution-independent lower bound for the expected mean squared generalization error caused by label noise in ridgeless linear regression. Our lower bound generalizes a similar known result to the overparameterized (interpolating) regime. In contrast to most previous works, our analysis applies to a broad class of input distributions with almost surely full-rank feature matrices, which allows us to cover various types of deterministic or random feature maps. Our lower bound is asymptotically sharp and implies that in the presence of label noise, ridgeless linear regression does not perform well around the interpolation threshold for any of these feature maps. We analyze the imposed assumptions in detail and provide a theory for analytic (random) feature maps. Using this theory, we can show that our assumptions are satisfied for input distributions with a (Lebesgue) density and feature maps given by random deep neural networks with analytic activation functions like sigmoid, tanh, softplus or GELU. As further examples, we show that feature maps from random Fourier features and polynomial kernels also satisfy our assumptions. We complement our theory with further experimental and analytic results.

Image and video synthesis are closely related areas aiming at generating content from noise. While rapid progress has been demonstrated in improving image-based models to handle large resolutions, high-quality renderings, and wide variations in image content, achieving comparable video generation results remains problematic. We present a framework that leverages contemporary image generators to render high-resolution videos. We frame the video synthesis problem as discovering a trajectory in the latent space of a pre-trained and fixed image generator. Not only does such a framework render high-resolution videos, but it also is an order of magnitude more computationally efficient. We introduce a motion generator that discovers the desired trajectory, in which content and motion are disentangled. With such a representation, our framework allows for a broad range of applications, including content and motion manipulation. Furthermore, we introduce a new task, which we call cross-domain video synthesis, in which the image and motion generators are trained on disjoint datasets belonging to different domains. This allows for generating moving objects for which the desired video data is not available. Extensive experiments on various datasets demonstrate the advantages of our methods over existing video generation techniques. Code will be released at https://github.com/snap-research/MoCoGAN-HD.

With the thriving of deep learning and the widespread practice of using pre-trained networks, backdoor attacks have become an increasing security threat drawing many research interests in recent years. A third-party model can be poisoned in training to work well in normal conditions but behave maliciously when a trigger pattern appears. However, the existing backdoor attacks are all built on noise perturbation triggers, making them noticeable to humans. In this paper, we instead propose using warping-based triggers. The proposed backdoor outperforms the previous methods in a human inspection test by a wide margin, proving its stealthiness. To make such models undetectable by machine defenders, we propose a novel training mode, called the ``noise mode. The trained networks successfully attack and bypass the state-ofthe art defense methods on standard classification datasets, including MNIST, CIFAR-10, GTSRB, and CelebA. Behavior analyses show that our backdoors are transparent to network inspection, further proving this novel attack mechanism's efficiency.

This paper aims to understand and improve the utility of the dropout operation from the perspective of game-theoretical interactions. We prove that dropout can suppress the strength of interactions between input variables of deep neural networks (DNNs). The theoretical proof is also verified by various experiments. Furthermore, we find that such interactions were strongly related to the over-fitting problem in deep learning. So, the utility of dropout can be regarded as decreasing interactions to alleviating the significance of over-fitting. Based on this understanding, we propose the interaction loss to further improve the utility of dropout. Experimental results on various DNNs and datasets have shown that the interaction loss can effectively improve the utility of dropout and boost the performance of DNNs.

Despite their success in massive engineering applications, deep neural networks are vulnerable to various perturbations due to their black-box nature. Recent study has shown that a deep neural network can misclassify the data even if the input data is perturbed by an imperceptible amount. In this paper, we address the robustness issue of neural networks by a novel close-loop control method from the perspective of dynamic systems. Instead of modifying the parameters in a fixed neural network architecture, a close-loop control process is added to generate control signals adaptively for the perturbed or corrupted data. We connect the robustness of neural networks with optimal control using the geometrical information of underlying data to design the control objective. The detailed analysis shows how the embedding manifolds of state trajectory affect error estimation of the proposed method. Our approach can simultaneously maintain the performance on clean data and improve the robustness against many types of data perturbations. It can also further improve the performance of robustly trained neural networks against different perturbations. To the best of our knowledge, this is the first work that improves the robustness of neural networks with close-loop control.

A recent line of work showed that various forms of convolutional kernel methods can be competitive with standard supervised deep convolutional networks on datasets like CIFAR-10, obtaining accuracies in the range of 87-90% while being more amenable to theoretical analysis. In this work, we highlight the importance of a data-dependent feature extraction step that is key to the obtain good performance in convolutional kernel methods. This step typically corresponds to a whitened dictionary of patches, and gives rise to a data-driven convolutional kernel methods.We extensively study its effect, demonstrating it is the key ingredient for high performance of these methods. Specifically, we show that one of the simplest instances of such kernel methods, based on a single layer of image patches followed by a linear classifier is already obtaining classification accuracies on CIFAR-10 in the same range as previous more sophisticated convolutional kernel methods. We scale this method to the challenging ImageNet dataset, showing such a simple approach can exceed all existing non-learned representation methods. This is a new baseline for object recognition without representation learning methods, that initiates the investigation of convolutional kernel models on ImageNet. We conduct experiments to analyze the dictionary that we used, our ablations showing …

Despite the success of recent Neural Architecture Search (NAS) methods on various tasks which have shown to output networks that largely outperform human-designed networks, conventional NAS methods have mostly tackled the optimization of searching for the network architecture for a single task (dataset), which does not generalize well across multiple tasks (datasets). Moreover, since such task-specific methods search for a neural architecture from scratch for every given task, they incur a large computational cost, which is problematic when the time and monetary budget are limited. In this paper, we propose an efficient NAS framework that is trained once on a database consisting of datasets and pretrained networks and can rapidly search for a neural architecture for a novel dataset. The proposed MetaD2A (Meta Dataset-to-Architecture) model can stochastically generate graphs (architectures) from a given set (dataset) via a cross-modal latent space learned with amortized meta-learning. Moreover, we also propose a meta-performance predictor to estimate and select the best architecture without direct training on target datasets. The experimental results demonstrate that our model meta-learned on subsets of ImageNet-1K and architectures from NAS-Bench 201 search space successfully generalizes to multiple unseen datasets including CIFAR-10 and CIFAR-100, with an average search time of 33 …

Recent work on exploration in reinforcement learning (RL) has led to a series of increasingly complex solutions to the problem. This increase in complexity often comes at the expense of generality. Recent empirical studies suggest that, when applied to a broader set of domains, some sophisticated exploration methods are outperformed by simpler counterparts, such as ε-greedy. In this paper we propose an exploration algorithm that retains the simplicity of ε-greedy while reducing dithering. We build on a simple hypothesis: the main limitation of ε-greedy exploration is its lack of temporal persistence, which limits its ability to escape local optima. We propose a temporally extended form of ε-greedy that simply repeats the sampled action for a random duration. It turns out that, for many duration distributions, this suffices to improve exploration on a large set of domains. Interestingly, a class of distributions inspired by ecological models of animal foraging behaviour yields particularly strong performance.

Extracting semantically useful natural language sentence representations from pre-trained deep neural networks such as Transformers remains a challenge. We first demonstrate that pre-training objectives impose a significant task bias onto the final layers of models with a layer-wise survey of the Semantic Textual Similarity (STS) correlations for multiple common Transformer language models. We then propose a new self-supervised method called Contrastive Tension (CT) to counter such biases. CT frames the training objective as a noise-contrastive task between the final layer representations of two independent models, in turn making the final layer representations suitable for feature extraction. Results from multiple common unsupervised and supervised STS tasks indicate that CT outperforms previous State Of The Art (SOTA), and when combining CT with supervised data we improve upon previous SOTA results with large margins.

Multi-task learning (MTL) has been widely used in representation learning. However, naively training all tasks simultaneously may lead to the partial training issue, where specific tasks are trained more adequately than others. In this paper, we propose to learn multiple tasks impartially. Specifically, for the task-shared parameters, we optimize the scaling factors via a closed-form solution, such that the aggregated gradient (sum of raw gradients weighted by the scaling factors) has equal projections onto individual tasks. For the task-specific parameters, we dynamically weigh the task losses so that all of them are kept at a comparable scale. Further, we find the above gradient balance and loss balance are complementary and thus propose a hybrid balance method to further improve the performance. Our impartial multi-task learning (IMTL) can be end-to-end trained without any heuristic hyper-parameter tuning, and is general to be applied on all kinds of losses without any distribution assumption. Moreover, our IMTL can converge to similar results even when the task losses are designed to have different scales, and thus it is scale-invariant. We extensively evaluate our IMTL on the standard MTL benchmarks including Cityscapes, NYUv2 and CelebA. It outperforms existing loss weighting methods under the same experimental settings.

We explore value-based multi-agent reinforcement learning (MARL) in the popular paradigm of centralized training with decentralized execution (CTDE). CTDE has an important concept, Individual-Global-Max (IGM) principle, which requires the consistency between joint and local action selections to support efficient local decision-making. However, in order to achieve scalability, existing MARL methods either limit representation expressiveness of their value function classes or relax the IGM consistency, which may suffer from instability risk or may not perform well in complex domains. This paper presents a novel MARL approach, called duPLEX dueling multi-agent Q-learning (QPLEX), which takes a duplex dueling network architecture to factorize the joint value function. This duplex dueling structure encodes the IGM principle into the neural network architecture and thus enables efficient value function learning. Theoretical analysis shows that QPLEX achieves a complete IGM function class. Empirical experiments on StarCraft II micromanagement tasks demonstrate that QPLEX significantly outperforms state-of-the-art baselines in both online and offline data collection settings, and also reveal that QPLEX achieves high sample efficiency and can benefit from offline datasets without additional online exploration.

Convolutional neural networks (CNNs) learn to extract representations of complex features, such as object shapes and textures to solve image recognition tasks. Recent work indicates that CNNs trained on ImageNet are biased towards features that encode textures and that these alone are sufficient to generalize to unseen test data from the same distribution as the training data but often fail to generalize to out-of-distribution data. It has been shown that augmenting the training data with different image styles decreases this texture bias in favor of increased shape bias while at the same time improving robustness to common corruptions, such as noise and blur. Commonly, this is interpreted as shape bias increasing corruption robustness. However, this relationship is only hypothesized. We perform a systematic study of different ways of composing inputs based on natural images, explicit edge information, and stylization. While stylization is essential for achieving high corruption robustness, we do not find a clear correlation between shape bias and robustness. We conclude that the data augmentation caused by style-variation accounts for the improved corruption robustness and increased shape bias is only a byproduct.

Contrastive visual pretraining based on the instance discrimination pretext task has made significant progress. Notably, recent work on unsupervised pretraining has shown to surpass the supervised counterpart for finetuning downstream applications such as object detection and segmentation. It comes as a surprise that image annotations would be better left unused for transfer learning. In this work, we investigate the following problems: What makes instance discrimination pretraining good for transfer learning? What knowledge is actually learned and transferred from these models? From this understanding of instance discrimination, how can we better exploit human annotation labels for pretraining? Our findings are threefold. First, what truly matters for the transfer is low-level and mid-level representations, not high-level representations. Second, the intra-category invariance enforced by the traditional supervised model weakens transferability by increasing task misalignment. Finally, supervised pretraining can be strengthened by following an exemplar-based approach without explicit constraints among the instances within the same category.

Mel-filterbanks are fixed, engineered audio features which emulate human perception and have been used through the history of audio understanding up to today. However, their undeniable qualities are counterbalanced by the fundamental limitations of handmade representations. In this work we show that we can train a single learnable frontend that outperforms mel-filterbanks on a wide range of audio signals, including speech, music, audio events and animal sounds, providing a general-purpose learned frontend for audio classification. To do so, we introduce a new principled, lightweight, fully learnable architecture that can be used as a drop-in replacement of mel-filterbanks. Our system learns all operations of audio features extraction, from filtering to pooling, compression and normalization, and can be integrated into any neural network at a negligible parameter cost. We perform multi-task training on eight diverse audio classification tasks, and show consistent improvements of our model over mel-filterbanks and previous learnable alternatives. Moreover, our system outperforms the current state-of-the-art learnable frontend on Audioset, with orders of magnitude fewer parameters.

We propose a new probabilistic method for unsupervised recovery of corrupted data. Given a large ensemble of degraded samples, our method recovers accurate posteriors of clean values, allowing the exploration of the manifold of possible reconstructed data and hence characterising the underlying uncertainty. In this set-ting, direct application of classical variational methods often gives rise to collapsed densities that do not adequately explore the solution space. Instead, we derive our novel reduced entropy condition approximate inference method that results in rich posteriors. We test our model in a data recovery task under the common setting of missing values and noise, demonstrating superior performance to existing variational methods for imputation and de-noising with different real data sets. We further show higher classification accuracy after imputation, proving the advantage of propagating uncertainty to downstream tasks with our model.

We propose a novel learning paradigm, Self-Imitation via Reduction (SIR), for solving compositional reinforcement learning problems. SIR is based on two core ideas: task reduction and self-imitation. Task reduction tackles a hard-to-solve task by actively reducing it to an easier task whose solution is known by the RL agent. Once the original hard task is successfully solved by task reduction, the agent naturally obtains a self-generated solution trajectory to imitate. By continuously collecting and imitating such demonstrations, the agent is able to progressively expand the solved subspace in the entire task space. Experiment results show that SIR can significantly accelerate and improve learning on a variety of challenging sparse-reward continuous-control problems with compositional structures. Code and videos are available at https://sites.google.com/view/sir-compositional.

Transfer of pre-trained representations can improve sample efficiency and reduce computational requirements for new tasks. However, representations used for transfer are usually generic, and are not tailored to a particular distribution of downstream tasks. We explore the use of expert representations for transfer with a simple, yet effective, strategy. We train a diverse set of experts by exploiting existing label structures, and use cheap-to-compute performance proxies to select the relevant expert for each target task. This strategy scales the process of transferring to new tasks, since it does not revisit the pre-training data during transfer. Accordingly, it requires little extra compute per target task, and results in a speed-up of 2-3 orders of magnitude compared to competing approaches. Further, we provide an adapter-based architecture able to compress many experts into a single model. We evaluate our approach on two different data sources and demonstrate that it outperforms baselines on over 20 diverse vision tasks in both cases.

We propose a novel end-to-end non-minimax algorithm for training optimal transport mappings for the quadratic cost (Wasserstein-2 distance). The algorithm uses input convex neural networks and a cycle-consistency regularization to approximate Wasserstein-2 distance. In contrast to popular entropic and quadratic regularizers, cycle-consistency does not introduce bias and scales well to high dimensions. From the theoretical side, we estimate the properties of the generative mapping fitted by our algorithm. From the practical side, we evaluate our algorithm on a wide range of tasks: image-to-image color transfer, latent space optimal transport, image-to-image style transfer, and domain adaptation.

We tackle the problem of producing compact models, maximizing their accuracy for a given model size. A standard solution is to train networks with Quantization Aware Training, where the weights are quantized during training and the gradients approximated with the Straight-Through Estimator. In this paper, we extend this approach to work with extreme compression methods where the approximations introduced by STE are severe. Our proposal is to only quantize a different random subset of weights during each forward, allowing for unbiased gradients to flow through the other weights. Controlling the amount of noise and its form allows for extreme compression rates while maintaining the performance of the original model. As a result we establish new state-of-the-art compromises between accuracy and model size both in natural language processing and image classification. For example, applying our method to state-of-the-art Transformer and ConvNet architectures, we can achieve 82.5% accuracy on MNLI by compressing RoBERTa to 14 MB and 80.0% top-1 accuracy on ImageNet by compressing an EfficientNet-B3 to 3.3 MB.

Convolutional Neural Networks (CNNs) have advanced existing medical systems for automatic disease diagnosis. However, a threat to these systems arises that adversarial attacks make CNNs vulnerable. Inaccurate diagnosis results make a negative influence on human healthcare. There is a need to investigate potential adversarial attacks to robustify deep medical diagnosis systems. On the other side, there are several modalities of medical images (e.g., CT, fundus, and endoscopic image) of which each type is significantly different from others. It is more challenging to generate adversarial perturbations for different types of medical images. In this paper, we propose an image-based medical adversarial attack method to consistently produce adversarial perturbations on medical images. The objective function of our method consists of a loss deviation term and a loss stabilization term. The loss deviation term increases the divergence between the CNN prediction of an adversarial example and its ground truth label. Meanwhile, the loss stabilization term ensures similar CNN predictions of this example and its smoothed input. From the perspective of the whole iterations for perturbation generation, the proposed loss stabilization term exhaustively searches the perturbation space to smooth the single spot for local optimum escape. We further analyze the KL-divergence of the proposed …

Learning 3D geometry directly from raw data, such as point clouds, triangle soups, or unoriented meshes is still a challenging task that feeds many downstream computer vision and graphics applications.

In this paper, we introduce SALD: a method for learning implicit neural representations of shapes directly from raw data. We generalize sign agnostic learning (SAL) to include derivatives: given an unsigned distance function to the input raw data, we advocate a novel sign agnostic regression loss, incorporating both pointwise values and gradients of the unsigned distance function. Optimizing this loss leads to a signed implicit function solution, the zero level set of which is a high quality and valid manifold approximation to the input 3D data. The motivation behind SALD is that incorporating derivatives in a regression loss leads to a lower sample complexity, and consequently better fitting. In addition, we provide empirical evidence, as well as theoretical motivation in 2D that SAL enjoys a minimal surface property, favoring minimal area solutions. More importantly, we are able to show that this property still holds for SALD, i.e., with derivatives included.

We demonstrate the efficacy of SALD for shape space learning on two challenging datasets: ShapeNet that contains inconsistent orientation and …

Uncertainty quantification is crucial for building reliable and trustable machine learning systems. We propose to estimate uncertainty in recurrent neural networks (RNNs) via stochastic discrete state transitions over recurrent timesteps. The uncertainty of the model can be quantified by running a prediction several times, each time sampling from the recurrent state transition distribution, leading to potentially different results if the model is uncertain. Alongside uncertainty quantification, our proposed method offers several advantages in different settings. The proposed method can (1) learn deterministic and probabilistic automata from data, (2) learn well-calibrated models on real-world classification tasks, (3) improve the performance of out-of-distribution detection, and (4) control the exploration-exploitation trade-off in reinforcement learning. An implementation is available.

Point cloud sequences are irregular and unordered in the spatial dimension while exhibiting regularities and order in the temporal dimension. Therefore, existing grid based convolutions for conventional video processing cannot be directly applied to spatio-temporal modeling of raw point cloud sequences. In this paper, we propose a point spatio-temporal (PST) convolution to achieve informative representations of point cloud sequences. The proposed PST convolution first disentangles space and time in point cloud sequences. Then, a spatial convolution is employed to capture the local structure of points in the 3D space, and a temporal convolution is used to model the dynamics of the spatial regions along the time dimension. Furthermore, we incorporate the proposed PST convolution into a deep network, namely PSTNet, to extract features of point cloud sequences in a hierarchical manner. Extensive experiments on widely-used 3D action recognition and 4D semantic segmentation datasets demonstrate the effectiveness of PSTNet to model point cloud sequences.

This work aims to empirically clarify a recently discovered perspective that label smoothing is incompatible with knowledge distillation. We begin by introducing the motivation behind on how this incompatibility is raised, i.e., label smoothing erases relative information between teacher logits. We provide a novel connection on how label smoothing affects distributions of semantically similar and dissimilar classes. Then we propose a metric to quantitatively measure the degree of erased information in sample's representation. After that, we study its one-sidedness and imperfection of the incompatibility view through massive analyses, visualizations and comprehensive experiments on Image Classification, Binary Networks, and Neural Machine Translation. Finally, we broadly discuss several circumstances wherein label smoothing will indeed lose its effectiveness.

Irregular sampling occurs in many time series modeling applications where it presents a significant challenge to standard deep learning models. This work is motivated by the analysis of physiological time series data in electronic health records, which are sparse, irregularly sampled, and multivariate. In this paper, we propose a new deep learning framework for this setting that we call Multi-Time Attention Networks. Multi-Time Attention Networks learn an embedding of continuous time values and use an attention mechanism to produce a fixed-length representation of a time series containing a variable number of observations. We investigate the performance of this framework on interpolation and classification tasks using multiple datasets. Our results show that the proposed approach performs as well or better than a range of baseline and recently proposed models while offering significantly faster training times than current state-of-the-art methods.

Learning dynamics models in high-dimensional observation spaces can be challenging for model-based RL agents. We propose a novel way to learn models in a latent space by learning to predict sequences of future actions conditioned on task completion. These models track task-relevant environment dynamics over a distribution of tasks, while simultaneously serving as an effective heuristic for planning with sparse rewards. We evaluate our method on challenging visual goal completion tasks and show a substantial increase in performance compared to prior model-free approaches.

This paper focuses on visual counting, which aims to predict the number of occurrences given a natural image and a query (e.g. a question or a category). Unlike most prior works that use explicit, symbolic models which can be computationally expensive and limited in generalization, we propose a simple and effective alternative by revisiting modulated convolutions that fuse the query and the image locally. Following the design of residual bottleneck, we call our method MoVie, short for Modulated conVolutional bottlenecks. Notably, MoVie reasons implicitly and holistically and only needs a single forward-pass during inference. Nevertheless, MoVie showcases strong performance for counting: 1) advancing the state-of-the-art on counting-specific VQA tasks while being more efficient; 2) outperforming prior-art on difficult benchmarks like COCO for common object counting; 3) helped us secure the first place of 2020 VQA challenge when integrated as a module for ‘number’ related questions in generic VQA models. Finally, we show evidence that modulated convolutions such as MoVie can serve as a general mechanism for reasoning tasks beyond counting.

3D pose estimation is a challenging but important task in computer vision. In this work, we show that standard deep learning approaches to 3D pose estimation are not robust to partial occlusion. Inspired by the robustness of generative vision models to partial occlusion, we propose to integrate deep neural networks with 3D generative representations of objects into a unified neural architecture that we term NeMo. In particular, NeMo learns a generative model of neural feature activations at each vertex on a dense 3D mesh. Using differentiable rendering we estimate the 3D object pose by minimizing the reconstruction error between NeMo and the feature representation of the target image. To avoid local optima in the reconstruction loss, we train the feature extractor to maximize the distance between the individual feature representations on the mesh using contrastive learning. Our extensive experiments on PASCAL3D+, occluded-PASCAL3D+ and ObjectNet3D show that NeMo is much more robust to partial occlusion compared to standard deep networks, while retaining competitive performance on non-occluded data. Interestingly, our experiments also show that NeMo performs reasonably well even when the mesh representation only crudely approximates the true object geometry with a cuboid, hence revealing that the detailed 3D geometry is not …

Overparameterised neural networks have demonstrated the remarkable ability to perfectly fit training samples, while still generalising to unseen test samples. However, several recent works have revealed that such models' good average performance does not always translate to good worst-case performance: in particular, they may perform poorly on subgroups that are under-represented in the training set. In this paper, we show that in certain settings, overparameterised models' performance on under-represented subgroups may be improved via post-hoc processing. Specifically, such models' bias can be restricted to their classification layers, and manifest as structured prediction shifts for rare subgroups. We detail two post-hoc correction techniques to mitigate this bias, which operate purely on the outputs of standard model training. We empirically verify that with such post-hoc correction, overparameterisation can improve average and worst-case performance.

This paper is a study of fine-tuning of BERT contextual representations, with focus on commonly observed instabilities in few-sample scenarios. We identify several factors that cause this instability: the common use of a non-standard optimization method with biased gradient estimation; the limited applicability of significant parts of the BERT network for down-stream tasks; and the prevalent practice of using a pre-determined, and small number of training iterations. We empirically test the impact of these factors, and identify alternative practices that resolve the commonly observed instability of the process. In light of these observations, we re-visit recently proposed methods to improve few-sample fine-tuning with BERT and re-evaluate their effectiveness. Generally, we observe the impact of these methods diminishes significantly with our modified process.

Source code (Context) and its parsed abstract syntax tree (AST; Structure) are two complementary representations of the same computer program. Traditionally, designers of machine learning models have relied predominantly either on Structure or Context. We propose a new model, which jointly learns on Context and Structure of source code. In contrast to previous approaches, our model uses only language-agnostic features, i.e., source code and features that can be computed directly from the AST. Besides obtaining state-of-the-art on monolingual code summarization on all five programming languages considered in this work, we propose the first multilingual code summarization model. We show that jointly training on non-parallel data from multiple programming languages improves results on all individual languages, where the strongest gains are on low-resource languages. Remarkably, multilingual training only from Context does not lead to the same improvements, highlighting the benefits of combining Structure and Context for representation learning on code.

We study how representation learning can accelerate reinforcement learning from rich observations, such as images, without relying either on domain knowledge or pixel-reconstruction. Our goal is to learn representations that provide for effective downstream control and invariance to task-irrelevant details. Bisimulation metrics quantify behavioral similarity between states in continuous MDPs, which we propose using to learn robust latent representations which encode only the task-relevant information from observations. Our method trains encoders such that distances in latent space equal bisimulation distances in state space. We demonstrate the effectiveness of our method at disregarding task-irrelevant information using modified visual MuJoCo tasks, where the background is replaced with moving distractors and natural videos, while achieving SOTA performance. We also test a first-person highway driving task where our method learns invariance to clouds, weather, and time of day. Finally, we provide generalization results drawn from properties of bisimulation metrics, and links to causal inference.

A key challenge for deploying deep neural networks (DNNs) in safety critical settings is the need to provide rigorous ways to quantify their uncertainty. In this paper, we propose a novel algorithm for constructing predicted classification confidences for DNNs that comes with provable correctness guarantees. Our approach uses Clopper-Pearson confidence intervals for the Binomial distribution in conjunction with the histogram binning approach to calibrated prediction. In addition, we demonstrate how our predicted confidences can be used to enable downstream guarantees in two settings: (i) fast DNN inference, where we demonstrate how to compose a fast but inaccurate DNN with an accurate but slow DNN in a rigorous way to improve performance without sacrificing accuracy, and (ii) safe planning, where we guarantee safety when using a DNN to predict whether a given action is safe based on visual observations. In our experiments, we demonstrate that our approach can be used to provide guarantees for state-of-the-art DNNs.

We describe the convex semi-infinite dual of the two-layer vector-output ReLU neural network training problem. This semi-infinite dual admits a finite dimensional representation, but its support is over a convex set which is difficult to characterize. In particular, we demonstrate that the non-convex neural network training problem is equivalent to a finite-dimensional convex copositive program. Our work is the first to identify this strong connection between the global optima of neural networks and those of copositive programs. We thus demonstrate how neural networks implicitly attempt to solve copositive programs via semi-nonnegative matrix factorization, and draw key insights from this formulation. We describe the first algorithms for provably finding the global minimum of the vector output neural network training problem, which are polynomial in the number of samples for a fixed data rank, yet exponential in the dimension. However, in the case of convolutional architectures, the computational complexity is exponential in only the filter size and polynomial in all other parameters. We describe the circumstances in which we can find the global optimum of this neural network training problem exactly with soft-thresholded SVD, and provide a copositive relaxation which is guaranteed to be exact for certain classes of problems, and which …

Dimensionality reduction methods for count data are critical to a wide range of applications in medical informatics and other fields where model interpretability is paramount. For such data, hierarchical Poisson matrix factorization (HPF) and other sparse probabilistic non-negative matrix factorization (NMF) methods are considered to be interpretable generative models. They consist of sparse transformations for decoding their learned representations into predictions. However, sparsity in representation decoding does not necessarily imply sparsity in the encoding of representations from the original data features. HPF is often incorrectly interpreted in the literature as if it possesses encoder sparsity. The distinction between decoder sparsity and encoder sparsity is subtle but important. Due to the lack of encoder sparsity, HPF does not possess the column-clustering property of classical NMF -- the factor loading matrix does not sufficiently define how each factor is formed from the original features. We address this deficiency by self-consistently enforcing encoder sparsity, using a generalized additive model (GAM), thereby allowing one to relate each representation coordinate to a subset of the original data features. In doing so, the method also gains the ability to perform feature selection. We demonstrate our method on simulated data and give an example of how encoder …

The recent success of Transformers in the language domain has motivated adapting it to a multimodal setting, where a new visual model is trained in tandem with an already pretrained language model. However, due to the excessive memory requirements from Transformers, existing work typically fixes the language model and train only the vision module, which limits its ability to learn cross-modal information in an end-to-end manner. In this work, we focus on reducing the parameters of multimodal Transformers in the context of audio-visual video representation learning. We alleviate the high memory requirement by sharing the parameters of Transformers across layers and modalities; we decompose the Transformer into modality-specific and modality-shared parts so that the model learns the dynamics of each modality both individually and together, and propose a novel parameter sharing scheme based on low-rank approximation. We show that our approach reduces parameters of the Transformers up to 97%, allowing us to train our model end-to-end from scratch. We also propose a negative sampling approach based on an instance similarity measured on the CNN embedding space that our model learns together with the Transformers. To demonstrate our approach, we pretrain our model on 30-second clips (480 frames) from Kinetics-700 and …

Low-precision neural networks represent both weights and activations with few bits, drastically reducing the cost of multiplications. Meanwhile, these products are accumulated using high-precision (typically 32-bit) additions. Additions dominate the arithmetic complexity of inference in quantized (e.g., binary) nets, and high precision is needed to avoid overflow. To further optimize inference, we propose WrapNet, an architecture that adapts neural networks to use low-precision (8-bit) additions while achieving classification accuracy comparable to their 32-bit counterparts. We achieve resilience to low-precision accumulation by inserting a cyclic activation layer that makes results invariant to overflow. We demonstrate the efficacy of our approach using both software and hardware platforms.

To get Bayesian neural networks to perform comparably to standard neural networks it is usually necessary to artificially reduce uncertainty using a tempered or cold posterior. This is extremely concerning: if the prior is accurate, Bayes inference/decision theory is optimal, and any artificial changes to the posterior should harm performance. While this suggests that the prior may be at fault, here we argue that in fact, BNNs for image classification use the wrong likelihood. In particular, standard image benchmark datasets such as CIFAR-10 are carefully curated. We develop a generative model describing curation which gives a principled Bayesian account of cold posteriors, because the likelihood under this new generative model closely matches the tempered likelihoods used in past work.

Convolutional image classifiers can achieve high predictive accuracy, but quantifying their uncertainty remains an unresolved challenge, hindering their deployment in consequential settings. Existing uncertainty quantification techniques, such as Platt scaling, attempt to calibrate the network’s probability estimates, but they do not have formal guarantees. We present an algorithm that modifies any classifier to output a predictive set containing the true label with a user-specified probability, such as 90%. The algorithm is simple and fast like Platt scaling, but provides a formal finite-sample coverage guarantee for every model and dataset. Our method modifies an existing conformal prediction algorithm to give more stable predictive sets by regularizing the small scores of unlikely classes after Platt scaling. In experiments on both Imagenet and Imagenet-V2 with ResNet-152 and other classifiers, our scheme outperforms existing approaches, achieving coverage with sets that are often factors of 5 to 10 smaller than a stand-alone Platt scaling baseline.

Recent methods for learning unsupervised visual representations, dubbed contrastive learning, optimize the noise-contrastive estimation (NCE) bound on mutual information between two transformations of an image. NCE typically uses randomly sampled negative examples to normalize the objective, but this may often include many uninformative examples either because they are too easy or too hard to discriminate. Taking inspiration from metric learning, we show that choosing semi-hard negatives can yield stronger contrastive representations. To do this, we introduce a family of mutual information estimators that sample negatives conditionally -- in a "ring" around each positive. We prove that these estimators remain lower-bounds of mutual information, with higher bias but lower variance than NCE. Experimentally, we find our approach, applied on top of existing models (IR, CMC, and MoCo) improves accuracy by 2-5% absolute points in each case, measured by linear evaluation on four standard image benchmarks. Moreover, we find continued benefits when transferring features to a variety of new image distributions from the Meta-Dataset collection and to a variety of downstream tasks such as object detection, instance segmentation, and key-point detection.

State-of-the-art natural language processing (NLP) models often learn to model dataset biases and surface form correlations instead of features that target the intended underlying task. Previous work has demonstrated effective methods to circumvent these issues when knowledge of the bias is available. We consider cases where the bias issues may not be explicitly identified, and show a method for training models that learn to ignore these problematic correlations. Our approach relies on the observation that models with limited capacity primarily learn to exploit biases in the dataset. We can leverage the errors of such limited capacity models to train a more robust model in a product of experts, thus bypassing the need to hand-craft a biased model. We show the effectiveness of this method to retain improvements in out-of-distribution settings even if no particular bias is targeted by the biased model.

When answering complex questions, people can seamlessly combine information from visual, textual and tabular sources. While interest in models that reason over multiple pieces of evidence has surged in recent years, there has been relatively little work on question answering models that reason across multiple modalities. In this paper, we present MultiModalQA (MMQA): a challenging question answering dataset that requires joint reasoning over text, tables and images. We create MMQA using a new framework for generating complex multi-modal questions at scale, harvesting tables from Wikipedia, and attaching images and text paragraphs using entities that appear in each table. We then define a formal language that allows us to take questions that can be answered from a single modality, and combine them to generate cross-modal questions. Last, crowdsourcing workers take these automatically generated questions and rephrase them into more fluent language. We create 29,918 questions through this procedure, and empirically demonstrate the necessity of a multi-modal multi-hop approach to solve our task: our multi-hop model, ImplicitDecomp, achieves an average F1 of 51.7 over cross-modal questions, substantially outperforming a strong baseline that achieves 38.2 F1, but still lags significantly behind human performance, which is at 90.1 F1.

Explainability in AI is crucial for model development, compliance with regulation, and providing operational nuance to predictions. The Shapley framework for explainability attributes a model’s predictions to its input features in a mathematically principled and model-agnostic way. However, general implementations of Shapley explainability make an untenable assumption: that the model’s features are uncorrelated. In this work, we demonstrate unambiguous drawbacks of this assumption and develop two solutions to Shapley explainability that respect the data manifold. One solution, based on generative modelling, provides flexible access to data imputations; the other directly learns the Shapley value-function, providing performance and stability at the cost of flexibility. While “off-manifold” Shapley values can (i) give rise to incorrect explanations, (ii) hide implicit model dependence on sensitive attributes, and (iii) lead to unintelligible explanations in higher-dimensional data, on-manifold explainability overcomes these problems.

Most current NLP systems are based on a pre-train-then-fine-tune paradigm, in which a large neural network is first trained in a self-supervised way designed to encourage the network to extract broadly-useful linguistic features, and then fine-tuned for a specific task of interest. Recent work attempts to understand why this recipe works and explain when it fails. Currently, such analyses have produced two sets of apparently-contradictory results. Work that analyzes the representations that result from pre-training (via "probing classifiers") finds evidence that rich features of linguistic structure can be decoded with high accuracy, but work that analyzes model behavior after fine-tuning (via "challenge sets") indicates that decisions are often not based on such structure but rather on spurious heuristics specific to the training set. In this work, we test the hypothesis that the extent to which a feature influences a model's decisions can be predicted using a combination of two factors: The feature's "extractability" after pre-training (measured using information-theoretic probing techniques), and the "evidence" available during fine-tuning (defined as the feature's co-occurrence rate with the label). In experiments with both synthetic and natural language data, we find strong evidence (statistically significant correlations) supporting this hypothesis.

Empirical studies suggest that machine learning models often rely on features, such as the background, that may be spuriously correlated with the label only during training time, resulting in poor accuracy during test-time. In this work, we identify the fundamental factors that give rise to this behavior, by explaining why models fail this way even in easy-to-learn tasks where one would expect these models to succeed. In particular, through a theoretical study of gradient-descent-trained linear classifiers on some easy-to-learn tasks, we uncover two complementary failure modes. These modes arise from how spurious correlations induce two kinds of skews in the data: one geometric in nature and another, statistical. Finally, we construct natural modifications of image classification datasets to understand when these failure modes can arise in practice. We also design experiments to isolate the two failure modes when training modern neural networks on these datasets.

Learning task-specific representations of persistence diagrams is an important problem in topological data analysis and machine learning. However, current state of the art methods are restricted in terms of their expressivity as they are focused on Euclidean representations. Persistence diagrams often contain features of infinite persistence (i.e., essential features) and Euclidean spaces shrink their importance relative to non-essential features because they cannot assign infinite distance to finite points. To deal with this issue, we propose a method to learn representations of persistence diagrams on hyperbolic spaces, more specifically on the Poincare ball. By representing features of infinite persistence infinitesimally close to the boundary of the ball, their distance to non-essential features approaches infinity, thereby their relative importance is preserved. This is achieved without utilizing extremely high values for the learnable parameters, thus the representation can be fed into downstream optimization methods and trained efficiently in an end-to-end fashion. We present experimental results on graph and image classification tasks and show that the performance of our method is on par with or exceeds the performance of other state of the art methods.

We propose the challenge of rapid task-solving in novel environments (RTS), wherein an agent must solve a series of tasks as rapidly as possible in an unfamiliar environment. An effective RTS agent must balance between exploring the unfamiliar environment and solving its current task, all while building a model of the new environment over which it can plan when faced with later tasks. While modern deep RL agents exhibit some of these abilities in isolation, none are suitable for the full RTS challenge. To enable progress toward RTS, we introduce two challenge domains: (1) a minimal RTS challenge called the Memory&Planning Game and (2) One-Shot StreetLearn Navigation, which introduces scale and complexity from real-world data. We demonstrate that state-of-the-art deep RL agents fail at RTS in both domains, and that this failure is due to an inability to plan over gathered knowledge. We develop Episodic Planning Networks (EPNs) and show that deep-RL agents with EPNs excel at RTS, outperforming the nearest baseline by factors of 2-3 and learning to navigate held-out StreetLearn maps within a single episode. We show that EPNs learn to execute a value iteration-like planning algorithm and that they generalize to situations beyond their training experience.

Solving high-dimensional, continuous robotic tasks is a challenging optimization problem. Model-based methods that rely on zero-order optimizers like the cross-entropy method (CEM) have so far shown strong performance and are considered state-of-the-art in the model-based reinforcement learning community. However, this success comes at the cost of high computational complexity, being therefore not suitable for real-time control. In this paper, we propose a technique to jointly optimize the trajectory and distill a policy, which is essential for fast execution in real robotic systems. Our method builds upon standard approaches, like guidance cost and dataset aggregation, and introduces a novel adaptive factor which prevents the optimizer from collapsing to the learner's behavior at the beginning of the training. The extracted policies reach unprecedented performance on challenging tasks as making a humanoid stand up and opening a door without reward shaping

While most neural generative models generate outputs in a single pass, the human creative process is usually one of iterative building and refinement. Recent work has proposed models of editing processes, but these mostly focus on editing sequential data and/or only model a single editing pass. In this paper, we present a generic model for incremental editing of structured data (i.e. ''structural edits''). Particularly, we focus on tree-structured data, taking abstract syntax trees of computer programs as our canonical example. Our editor learns to iteratively generate tree edits (e.g. deleting or adding a subtree) and applies them to the partially edited data, thereby the entire editing process can be formulated as consecutive, incremental tree transformations. To show the unique benefits of modeling tree edits directly, we further propose a novel edit encoder for learning to represent edits, as well as an imitation learning method that allows the editor to be more robust. We evaluate our proposed editor on two source code edit datasets, where results show that, with the proposed edit encoder, our editor significantly improves accuracy over previous approaches that generate the edited program directly in one pass. Finally, we demonstrate that training our editor to imitate experts and …

In open question answering (QA), the answer to a question is produced by retrieving and then analyzing documents that might contain answers to the question. Most open QA systems have considered only retrieving information from unstructured text. Here we consider for the first time open QA over {\em both} tabular and textual data and present a new large-scale dataset \emph{Open Table-and-Text Question Answering} (OTT-QA) to evaluate performance on this task. Most questions in OTT-QA require multi-hop inference across tabular data and unstructured text, and the evidence required to answer a question can be distributed in different ways over these two types of input, making evidence retrieval challenging---our baseline model using an iterative retriever and BERT-based reader achieves an exact match score less than 10\%. We then propose two novel techniques to address the challenge of retrieving and aggregating evidence for OTT-QA. The first technique is to use ``early fusion'' to group multiple highly relevant tabular and textual units into a fused block, which provides more context for the retriever to search for. The second technique is to use a cross-block reader to model the cross-dependency between multiple retrieved evidence with global-local sparse attention. Combining these two techniques improves the score …

Fine-tuning pre-trained transformer-based language models such as BERT has become a common practice dominating leaderboards across various NLP benchmarks. Despite the strong empirical performance of fine-tuned models, fine-tuning is an unstable process: training the same model with multiple random seeds can result in a large variance of the task performance. Previous literature (Devlin et al., 2019; Lee et al., 2020; Dodge et al., 2020) identified two potential reasons for the observed instability: catastrophic forgetting and small size of the fine-tuning datasets. In this paper, we show that both hypotheses fail to explain the fine-tuning instability. We analyze BERT, RoBERTa, and ALBERT, fine-tuned on commonly used datasets from the GLUE benchmark, and show that the observed instability is caused by optimization difficulties that lead to vanishing gradients. Additionally, we show that the remaining variance of the downstream task performance can be attributed to differences in generalization where fine-tuned models with the same training loss exhibit noticeably different test performance. Based on our analysis, we present a simple but strong baseline that makes fine-tuning BERT-based models significantly more stable than the previously proposed approaches. Code to reproduce our results is available online: https://github.com/uds-lsv/bert-stable-fine-tuning.

We propose Multi-Level Local SGD, a distributed stochastic gradient method for learning a smooth, non-convex objective in a multi-level communication network with heterogeneous workers. Our network model consists of a set of disjoint sub-networks, with a single hub and multiple workers; further, workers may have different operating rates. The hubs exchange information with one another via a connected, but not necessarily complete communication network. In our algorithm, sub-networks execute a distributed SGD algorithm, using a hub-and-spoke paradigm, and the hubs periodically average their models with neighboring hubs. We first provide a unified mathematical framework that describes the Multi-Level Local SGD algorithm. We then present a theoretical analysis of the algorithm; our analysis shows the dependence of the convergence error on the worker node heterogeneity, hub network topology, and the number of local, sub-network, and global iterations. We illustrate the effectiveness of our algorithm in a multi-level network with slow workers via simulation-based experiments.

Using a mix of shared and language-specific (LS) parameters has shown promise in multilingual neural machine translation (MNMT), but the question of when and where LS capacity matters most is still under-studied. We offer such a study by proposing conditional language-specific routing (CLSR). CLSR employs hard binary gates conditioned on token representations to dynamically select LS or shared paths. By manipulating these gates, it can schedule LS capacity across sub-layers in MNMT subject to the guidance of translation signals and budget constraints. Moreover, CLSR can easily scale up to massively multilingual settings. Experiments with Transformer on OPUS-100 and WMT datasets show that: 1) MNMT is sensitive to both the amount and the position of LS modeling: distributing 10%-30% LS computation to the top and/or bottom encoder/decoder layers delivers the best performance; and 2) one-to-many translation benefits more from CLSR compared to many-to-one translation, particularly with unbalanced training data. Our study further verifies the trade-off between the shared capacity and LS capacity for multilingual translation. We corroborate our analysis by confirming the soundness of our findings as foundation of our improved multilingual Transformers. Source code and models are available at https://github.com/googleinterns/cct-m4.

Imitation Learning (IL) methods seek to match the behavior of an agent with that of an expert. In the present work, we propose a new IL method based on a conceptually simple algorithm: Primal Wasserstein Imitation Learning (PWIL), which ties to the primal form of the Wasserstein distance between the expert and the agent state-action distributions. We present a reward function which is derived offline, as opposed to recent adversarial IL algorithms that learn a reward function through interactions with the environment, and which requires little fine-tuning. We show that we can recover expert behavior on a variety of continuous control tasks of the MuJoCo domain in a sample efficient manner in terms of agent interactions and of expert interactions with the environment. Finally, we show that the behavior of the agent we train matches the behavior of the expert with the Wasserstein distance, rather than the commonly used proxy of performance.

Trajectory prediction is a critical part of many AI applications, for example, the safe operation of autonomous vehicles. However, current methods are prone to making inconsistent and physically unrealistic predictions. We leverage insights from fluid dynamics to overcome this limitation by considering internal symmetry in real-world trajectories. We propose a novel model, Equivariant Continous COnvolution (ECCO) for improved trajectory prediction. ECCO uses rotationally-equivariant continuous convolutions to embed the symmetries of the system. On both vehicle and pedestrian trajectory datasets, ECCO attains competitive accuracy with significantly fewer parameters. It is also more sample efficient, generalizing automatically from few data points in any orientation. Lastly, ECCO improves generalization with equivariance, resulting in more physically consistent predictions. Our method provides a fresh perspective towards increasing trust and transparency in deep learning models. Our code and data can be found at https://github.com/Rose-STL-Lab/ECCO.

We propose a simple data augmentation technique that can be applied to standard model-free reinforcement learning algorithms, enabling robust learning directly from pixels without the need for auxiliary losses or pre-training. The approach leverages input perturbations commonly used in computer vision tasks to transform input examples, as well as regularizing the value function and policy. Existing model-free approaches, such as Soft Actor-Critic (SAC), are not able to train deep networks effectively from image pixels. However, the addition of our augmentation method dramatically improves SAC’s performance, enabling it to reach state-of-the-art performance on the DeepMind control suite, surpassing model-based (Hafner et al., 2019; Lee et al., 2019; Hafner et al., 2018) methods and recently proposed contrastive learning (Srinivas et al., 2020). Our approach, which we dub DrQ: Data-regularized Q, can be combined with any model-free reinforcement learning algorithm. We further demonstrate this by applying it to DQN and significantly improve its data-efficiency on the Atari 100k benchmark.

Model-based planning is often thought to be necessary for deep, careful reasoning and generalization in artificial agents. While recent successes of model-based reinforcement learning (MBRL) with deep function approximation have strengthened this hypothesis, the resulting diversity of model-based methods has also made it difficult to track which components drive success and why. In this paper, we seek to disentangle the contributions of recent methods by focusing on three questions: (1) How does planning benefit MBRL agents? (2) Within planning, what choices drive performance? (3) To what extent does planning improve generalization? To answer these questions, we study the performance of MuZero (Schrittwieser et al., 2019), a state-of-the-art MBRL algorithm with strong connections and overlapping components with many other MBRL algorithms. We perform a number of interventions and ablations of MuZero across a wide range of environments, including control tasks, Atari, and 9x9 Go. Our results suggest the following: (1) Planning is most useful in the learning process, both for policy updates and for providing a more useful data distribution. (2) Using shallow trees with simple Monte-Carlo rollouts is as performant as more complex methods, except in the most difficult reasoning tasks. (3) Planning alone is insufficient to drive strong generalization. …

Disentangling the underlying generative factors from complex data has so far been limited to carefully constructed scenarios. We propose a path towards natural data by first showing that the statistics of natural data provide enough structure to enable disentanglement, both theoretically and empirically. Specifically, we provide evidence that objects in natural movies undergo transitions that are typically small in magnitude with occasional large jumps, which is characteristic of a temporally sparse distribution. To address this finding we provide a novel proof that relies on a sparse prior on temporally adjacent observations to recover the true latent variables up to permutations and sign flips, directly providing a stronger result than previous work. We show that equipping practical estimation methods with our prior often surpasses the current state-of-the-art on several established benchmark datasets without any impractical assumptions, such as knowledge of the number of changing generative factors. Furthermore, we contribute two new benchmarks, Natural Sprites and KITTI Masks, which integrate the measured natural dynamics to enable disentanglement evaluation with more realistic datasets. We leverage these benchmarks to test our theory, demonstrating improved performance. We also identify non-obvious challenges for current methods in scaling to more natural domains. Taken together our work addresses …

Multiclass classifiers are often designed and evaluated only on a sample from the classes on which they will eventually be applied. Hence, their final accuracy remains unknown. In this work we study how a classifier’s performance over the initial class sample can be used to extrapolate its expected accuracy on a larger, unobserved set of classes. For this, we define a measure of separation between correct and incorrect classes that is independent of the number of classes: the "reversed ROC" (rROC), which is obtained by replacing the roles of classes and data-points in the common ROC. We show that the classification accuracy is a function of the rROC in multiclass classifiers, for which the learned representation of data from the initial class sample remains unchanged when new classes are added. Using these results we formulate a robust neural-network-based algorithm, "CleaneX", which learns to estimate the accuracy of such classifiers on arbitrarily large sets of classes. Unlike previous methods, our method uses both the observed accuracies of the classifier and densities of classification scores, and therefore achieves remarkably better predictions than current state-of-the-art methods on both simulations and real datasets of object detection, face recognition, and brain decoding.

Combinatorial generalisation — the ability to understand and produce novel combinations of familiar elements — is a core capacity of human intelligence that current AI systems struggle with. Recently, it has been suggested that learning disentangled representations may help address this problem. It is claimed that such representations should be able to capture the compositional structure of the world which can then be combined to support combinatorial generalisation. In this study, we systematically tested how the degree of disentanglement affects various forms of generalisation, including two forms of combinatorial generalisation that varied in difficulty. We trained three classes of variational autoencoders (VAEs) on two datasets on an unsupervised task by excluding combinations of generative factors during training. At test time we ask the models to reconstruct the missing combinations in order to measure generalisation performance. Irrespective of the degree of disentanglement, we found that the models supported only weak combinatorial generalisation. We obtained the same outcome when we directly input perfectly disentangled representations as the latents, and when we tested a model on a more complex task that explicitly required independent generative factors to be controlled. While learning disentangled representations does improve interpretability and sample efficiency in some downstream tasks, …

Shapley values have become one of the most popular feature attribution explanation methods. However, most prior work has focused on post-hoc Shapley explanations, which can be computationally demanding due to its exponential time complexity and preclude model regularization based on Shapley explanations during training. Thus, we propose to incorporate Shapley values themselves as latent representations in deep models thereby making Shapley explanations first-class citizens in the modeling paradigm. This intrinsic explanation approach enables layer-wise explanations, explanation regularization of the model during training, and fast explanation computation at test time. We define the Shapley transform that transforms the input into a Shapley representation given a specific function. We operationalize the Shapley transform as a neural network module and construct both shallow and deep networks, called ShapNets, by composing Shapley modules. We prove that our Shallow ShapNets compute the exact Shapley values and our Deep ShapNets maintain the missingness and accuracy properties of Shapley values. We demonstrate on synthetic and real-world datasets that our ShapNets enable layer-wise Shapley explanations, novel Shapley regularizations during training, and fast computation while maintaining reasonable performance. Code is available at https://github.com/inouye-lab/ShapleyExplanationNetworks.

Pooling is a critical operation in convolutional neural networks for increasing receptive fields and improving robustness to input variations. Most existing pooling operations downsample the feature maps, which is a lossy process. Moreover, they are not invertible: upsampling a downscaled feature map can not recover the lost information in the downsampling. By adopting the philosophy of the classical Lifting Scheme from signal processing, we propose LiftPool for bidirectional pooling layers, including LiftDownPool and LiftUpPool. LiftDownPool decomposes a feature map into various downsized sub-bands, each of which contains information with different frequencies. As the pooling function in LiftDownPool is perfectly invertible, by performing LiftDownPool backward, a corresponding up-pooling layer LiftUpPool is able to generate a refined upsampled feature map using the detail subbands, which is useful for image-to-image translation challenges. Experiments show the proposed methods achieve better results on image classification and semantic segmentation, using various backbones. Moreover, LiftDownPool offers better robustness to input corruptions and perturbations.

Symbolic techniques based on Satisfiability Modulo Theory (SMT) solvers have been proposed for analyzing and verifying neural network properties, but their usage has been fairly limited owing to their poor scalability with larger networks. In this work, we propose a technique for combining gradient-based methods with symbolic techniques to scale such analyses and demonstrate its application for model explanation. In particular, we apply this technique to identify minimal regions in an input that are most relevant for a neural network's prediction. Our approach uses gradient information (based on Integrated Gradients) to focus on a subset of neurons in the first layer, which allows our technique to scale to large networks. The corresponding SMT constraints encode the minimal input mask discovery problem such that after masking the input, the activations of the selected neurons are still above a threshold. After solving for the minimal masks, our approach scores the mask regions to generate a relative ordering of the features within the mask. This produces a saliency map which explains" where a model is looking" when making a prediction. We evaluate our technique on three datasets-MNIST, ImageNet, and Beer Reviews, and demonstrate both quantitatively and qualitatively that the regions generated by our …

Recent work has explored the possibility of pruning neural networks at initialization. We assess proposals for doing so: SNIP (Lee et al., 2019), GraSP (Wang et al., 2020), SynFlow (Tanaka et al., 2020), and magnitude pruning. Although these methods surpass the trivial baseline of random pruning, they remain below the accuracy of magnitude pruning after training, and we endeavor to understand why. We show that, unlike pruning after training, randomly shuffling the weights these methods prune within each layer or sampling new initial values preserves or improves accuracy. As such, the per-weight pruning decisions made by these methods can be replaced by a per-layer choice of the fraction of weights to prune. This property suggests broader challenges with the underlying pruning heuristics, the desire to prune at initialization, or both.

Shape and texture are two prominent and complementary cues for recognizing objects. Nonetheless, Convolutional Neural Networks are often biased towards either texture or shape, depending on the training dataset. Our ablation shows that such bias degenerates model performance. Motivated by this observation, we develop a simple algorithm for shape-texture debiased learning. To prevent models from exclusively attending on a single cue in representation learning, we augment training data with images with conflicting shape and texture information (eg, an image of chimpanzee shape but with lemon texture) and, most importantly, provide the corresponding supervisions from shape and texture simultaneously.

Experiments show that our method successfully improves model performance on several image recognition benchmarks and adversarial robustness. For example, by training on ImageNet, it helps ResNet-152 achieve substantial improvements on ImageNet (+1.2%), ImageNet-A (+5.2%), ImageNet-C (+8.3%) and Stylized-ImageNet (+11.1%), and on defending against FGSM adversarial attacker on ImageNet (+14.4%). Our method also claims to be compatible with other advanced data augmentation strategies, eg, Mixup, and CutMix. The code is available here: https://github.com/LiYingwei/ShapeTextureDebiasedTraining.

Learning effective representations of visual data that generalize to a variety of downstream tasks has been a long quest for computer vision. Most representation learning approaches rely solely on visual data such as images or videos. In this paper, we explore a novel approach, where we use human interaction and attention cues to investigate whether we can learn better representations compared to visual-only representations. For this study, we collect a dataset of human interactions capturing body part movements and gaze in their daily lives. Our experiments show that our ``"muscly-supervised" representation that encodes interaction and attention cues outperforms a visual-only state-of-the-art method MoCo (He et al.,2020), on a variety of target tasks: scene classification (semantic), action recognition (temporal), depth estimation (geometric), dynamics prediction (physics) and walkable surface estimation (affordance). Our code and dataset are available at: https://github.com/ehsanik/muscleTorch.

Recent progress in deep learning has enabled many advances in sound separation and visual scene understanding. However, extracting sound sources which are apparent in natural videos remains an open problem. In this work, we present AudioScope, a novel audio-visual sound separation framework that can be trained without supervision to isolate on-screen sound sources from real in-the-wild videos. Prior audio-visual separation work assumed artificial limitations on the domain of sound classes (e.g., to speech or music), constrained the number of sources, and required strong sound separation or visual segmentation labels. AudioScope overcomes these limitations, operating on an open domain of sounds, with variable numbers of sources, and without labels or prior visual segmentation. The training procedure for AudioScope uses mixture invariant training (MixIT) to separate synthetic mixtures of mixtures (MoMs) into individual sources, where noisy labels for mixtures are provided by an unsupervised audio-visual coincidence model. Using the noisy labels, along with attention between video and audio features, AudioScope learns to identify audio-visual similarity and to suppress off-screen sounds. We demonstrate the effectiveness of our approach using a dataset of video clips extracted from open-domain YFCC100m video data. This dataset contains a wide diversity of sound classes recorded in unconstrained conditions, …

We propose a simple, practical, and intuitive approach for domain adaptation in reinforcement learning. Our approach stems from the idea that the agent's experience in the source domain should look similar to its experience in the target domain. Building off of a probabilistic view of RL, we achieve this goal by compensating for the difference in dynamics by modifying the reward function. This modified reward function is simple to estimate by learning auxiliary classifiers that distinguish source-domain transitions from target-domain transitions. Intuitively, the agent is penalized for transitions that would indicate that the agent is interacting with the source domain, rather than the target domain. Formally, we prove that applying our method in the source domain is guaranteed to obtain a near-optimal policy for the target domain, provided that the source and target domains satisfy a lightweight assumption. Our approach is applicable to domains with continuous states and actions and does not require learning an explicit model of the dynamics. On discrete and continuous control tasks, we illustrate the mechanics of our approach and demonstrate its scalability to high-dimensional~tasks.

Recent self-supervised contrastive methods have been able to produce impressive transferable visual representations by learning to be invariant to different data augmentations. However, these methods implicitly assume a particular set of representational invariances (e.g., invariance to color), and can perform poorly when a downstream task violates this assumption (e.g., distinguishing red vs. yellow cars). We introduce a contrastive learning framework which does not require prior knowledge of specific, task-dependent invariances. Our model learns to capture varying and invariant factors for visual representations by constructing separate embedding spaces, each of which is invariant to all but one augmentation. We use a multi-head network with a shared backbone which captures information across each augmentation and alone outperforms all baselines on downstream tasks. We further find that the concatenation of the invariant and varying spaces performs best across all tasks we investigate, including coarse-grained, fine-grained, and few-shot downstream classification tasks, and various data corruptions.

We study the problem of dynamic visual reasoning on raw videos. This is a challenging problem; currently, state-of-the-art models often require dense supervision on physical object properties and events from simulation, which are impractical to obtain in real life. In this paper, we present the Dynamic Concept Learner (DCL), a unified framework that grounds physical objects and events from video and language. DCL first adopts a trajectory extractor to track each object over time and to represent it as a latent, object-centric feature vector. Building upon this object-centric representation, DCL learns to approximate the dynamic interaction among objects using graph networks. DCL further incorporates a semantic parser to parse question into semantic programs and, finally, a program executor to run the program to answer the question, levering the learned dynamics model. After training, DCL can detect and associate objects across the frames, ground visual properties and physical events, understand the causal relationship between events, make future and counterfactual predictions, and leverage these extracted presentations for answering queries. DCL achieves state-of-the-art performance on CLEVRER, a challenging causal video reasoning dataset, even without using ground-truth attributes and collision labels from simulations for training. We further test DCL on a newly proposed video-retrieval …

The properties of individual neurons are often analyzed in order to understand the biological and artificial neural networks in which they're embedded. Class selectivity—typically defined as how different a neuron's responses are across different classes of stimuli or data samples—is commonly used for this purpose. However, it remains an open question whether it is necessary and/or sufficient for deep neural networks (DNNs) to learn class selectivity in individual units. We investigated the causal impact of class selectivity on network function by directly regularizing for or against class selectivity. Using this regularizer to reduce class selectivity across units in convolutional neural networks increased test accuracy by over 2% in ResNet18 and 1% in ResNet50 trained on Tiny ImageNet. For ResNet20 trained on CIFAR10 we could reduce class selectivity by a factor of 2.5 with no impact on test accuracy, and reduce it nearly to zero with only a small (~2%) drop in test accuracy. In contrast, regularizing to increase class selectivity significantly decreased test accuracy across all models and datasets. These results indicate that class selectivity in individual units is neither sufficient nor strictly necessary, and can even impair DNN performance. They also encourage caution when focusing on the properties of …

Building interpretable parameterizations of real-world decision-making on the basis of demonstrated behavior--i.e. trajectories of observations and actions made by an expert maximizing some unknown reward function--is essential for introspecting and auditing policies in different institutions. In this paper, we propose learning explanations of expert decisions by modeling their reward function in terms of preferences with respect to ``"what if'' outcomes: Given the current history of observations, what would happen if we took a particular action? To learn these cost-benefit tradeoffs associated with the expert's actions, we integrate counterfactual reasoning into batch inverse reinforcement learning. This offers a principled way of defining reward functions and explaining expert behavior, and also satisfies the constraints of real-world decision-making---where active experimentation is often impossible (e.g. in healthcare). Additionally, by estimating the effects of different actions, counterfactuals readily tackle the off-policy nature of policy evaluation in the batch setting, and can naturally accommodate settings where the expert policies depend on histories of observations rather than just current states. Through illustrative experiments in both real and simulated medical environments, we highlight the effectiveness of our batch, counterfactual inverse reinforcement learning approach in recovering accurate and interpretable descriptions of behavior.

Sequential data such as time series, video, or text can be challenging to analyse as the ordered structure gives rise to complex dependencies. At the heart of this is non-commutativity, in the sense that reordering the elements of a sequence can completely change its meaning. We use a classical mathematical object -- the free algebra -- to capture this non-commutativity. To address the innate computational complexity of this algebra, we use compositions of low-rank tensor projections. This yields modular and scalable building blocks that give state-of-the-art performance on standard benchmarks such as multivariate time series classification, mortality prediction and generative models for video.

In recent years, Generative Adversarial Networks have become ubiquitous in both research and public perception, but how GANs convert an unstructured latent code to a high quality output is still an open question. In this work, we investigate regression into the latent space as a probe to understand the compositional properties of GANs. We find that combining the regressor and a pretrained generator provides a strong image prior, allowing us to create composite images from a collage of random image parts at inference time while maintaining global consistency. To compare compositional properties across different generators, we measure the trade-offs between reconstruction of the unrealistic input and image quality of the regenerated samples. We find that the regression approach enables more localized editing of individual image parts compared to direct editing in the latent space, and we conduct experiments to quantify this independence effect. Our method is agnostic to the semantics of edits, and does not require labels or predefined concepts during training. Beyond image composition, our method extends to a number of related applications, such as image inpainting or example-based image editing, which we demonstrate on several GANs and datasets, and because it uses only a single forward pass, it …

This paper frames a general prediction system as an observer traveling around a continuous space, measuring values at some locations, and predicting them at others. The observer is completely agnostic about any particular task being solved; it cares only about measurement locations and their values. This perspective leads to a machine learning framework in which seemingly unrelated tasks can be solved by a single model, by embedding their input and output variables into a shared space. An implementation of the framework is developed in which these variable embeddings are learned jointly with internal model parameters. In experiments, the approach is shown to (1) recover intuitive locations of variables in space and time, (2) exploit regularities across related datasets with completely disjoint input and output spaces, and (3) exploit regularities across seemingly unrelated tasks, outperforming task-specific single-task models and multi-task learning alternatives. The results suggest that even seemingly unrelated tasks may originate from similar underlying processes, a fact that the traveling observer model can use to make better predictions.

Learning functions on point clouds has applications in many fields, including computer vision, computer graphics, physics, and chemistry. Recently, there has been a growing interest in neural architectures that are invariant or equivariant to all three shape-preserving transformations of point clouds: translation, rotation, and permutation. In this paper, we present a first study of the approximation power of these architectures. We first derive two sufficient conditions for an equivariant architecture to have the universal approximation property, based on a novel characterization of the space of equivariant polynomials. We then use these conditions to show that two recently suggested models, Tensor field Networks and SE3-Transformers, are universal, and for devising two other novel universal architectures.

We study two fundamental questions in neuro-symbolic computing: can deep learning tackle challenging problems in logics end-to-end, and can neural networks learn the semantics of logics. In this work we focus on linear-time temporal logic (LTL), as it is widely used in verification. We train a Transformer on the problem to directly predict a solution, i.e. a trace, to a given LTL formula. The training data is generated with classical solvers, which, however, only provide one of many possible solutions to each formula. We demonstrate that it is sufficient to train on those particular solutions to formulas, and that Transformers can predict solutions even to formulas from benchmarks from the literature on which the classical solver timed out. Transformers also generalize to the semantics of the logics: while they often deviate from the solutions found by the classical solvers, they still predict correct solutions to most formulas.

Large-scale language models such as BERT have achieved state-of-the-art performance across a wide range of NLP tasks. Recent studies, however, show that such BERT-based models are vulnerable facing the threats of textual adversarial attacks. We aim to address this problem from an information-theoretic perspective, and propose InfoBERT, a novel learning framework for robust fine-tuning of pre-trained language models. InfoBERT contains two mutual-information-based regularizers for model training: (i) an Information Bottleneck regularizer, which suppresses noisy mutual information between the input and the feature representation; and (ii) a Robust Feature regularizer, which increases the mutual information between local robust features and global features. We provide a principled way to theoretically analyze and improve the robustness of representation learning for language models in both standard and adversarial training. Extensive experiments demonstrate that InfoBERT achieves state-of-the-art robust accuracy over several adversarial datasets on Natural Language Inference (NLI) and Question Answering (QA) tasks. Our code is available at https://github.com/AI-secure/InfoBERT.

Under mild regularity conditions, gradient-based methods converge globally to a critical point in the single-loss setting. This is known to break down for vanilla gradient descent when moving to multi-loss optimization, but can we hope to build some algorithm with global guarantees? We negatively resolve this open problem by proving that desirable convergence properties cannot simultaneously hold for any algorithm. Our result has more to do with the existence of games with no satisfactory outcomes, than with algorithms per se. More explicitly we construct a two-player game with zero-sum interactions whose losses are both coercive and analytic, but whose only simultaneous critical point is a strict maximum. Any 'reasonable' algorithm, defined to avoid strict maxima, will therefore fail to converge. This is fundamentally different from single losses, where coercivity implies existence of a global minimum. Moreover, we prove that a wide range of existing gradient-based methods almost surely have bounded but non-convergent iterates in a constructed zero-sum game for suitably small learning rates. It nonetheless remains an open question whether such behavior can arise in high-dimensional games of interest to ML practitioners, such as GANs or multi-agent RL.

We aim to help users communicate their intent to machines using flexible, adaptive interfaces that translate arbitrary user input into desired actions. In this work, we focus on assistive typing applications in which a user cannot operate a keyboard, but can instead supply other inputs, such as webcam images that capture eye gaze or neural activity measured by a brain implant. Standard methods train a model on a fixed dataset of user inputs, then deploy a static interface that does not learn from its mistakes; in part, because extracting an error signal from user behavior can be challenging. We investigate a simple idea that would enable such interfaces to improve over time, with minimal additional effort from the user: online learning from user feedback on the accuracy of the interface's actions. In the typing domain, we leverage backspaces as feedback that the interface did not perform the desired action. We propose an algorithm called x-to-text (X2T) that trains a predictive model of this feedback signal, and uses this model to fine-tune any existing, default interface for translating user input into actions that select words or characters. We evaluate X2T through a small-scale online user study with 12 participants who type …

The objective of \textit{lifelong} reinforcement learning (RL) is to optimize agents which can continuously adapt and interact in changing environments. However, current RL approaches fail drastically when environments are non-stationary and interactions are non-episodic. We propose \textit{Lifelong Skill Planning} (LiSP), an algorithmic framework for lifelong RL based on planning in an abstract space of higher-order skills. We learn the skills in an unsupervised manner using intrinsic rewards and plan over the learned skills using a learned dynamics model. Moreover, our framework permits skill discovery even from offline data, thereby reducing the need for excessive real-world interactions. We demonstrate empirically that LiSP successfully enables long-horizon planning and learns agents that can avoid catastrophic failures even in challenging non-stationary and non-episodic environments derived from gridworld and MuJoCo benchmarks.

Several recently proposed unsupervised meta-learning approaches rely on synthetic meta-tasks created using techniques such as random selection, clustering and/or augmentation. In this work, we describe a novel approach that generates meta-tasks using generative models. The proposed family of algorithms generate pairs of in-class and out-of-class samples from the latent space in a principled way, allowing us to create synthetic classes forming the training and validation data of a meta-task. We find that the proposed approach, LAtent Space Interpolation Unsupervised Meta-learning (LASIUM), outperforms or is competitive with current unsupervised learning baselines on few-shot classification tasks on the most widely used benchmark datasets.

A key challenge for reinforcement learning (RL) consists of learning in environments with sparse extrinsic rewards. In contrast to current RL methods, humans are able to learn new skills with little or no reward by using various forms of intrinsic motivation. We propose AMIGo, a novel agent incorporating -- as form of meta-learning -- a goal-generating teacher that proposes Adversarially Motivated Intrinsic Goals to train a goal-conditioned "student" policy in the absence of (or alongside) environment reward. Specifically, through a simple but effective "constructively adversarial" objective, the teacher learns to propose increasingly challenging -- yet achievable -- goals that allow the student to learn general skills for acting in a new environment, independent of the task to be solved. We show that our method generates a natural curriculum of self-proposed goals which ultimately allows the agent to solve challenging procedurally-generated tasks where other forms of intrinsic motivation and state-of-the-art RL methods fail.

In high-dimensional state spaces, the usefulness of Reinforcement Learning (RL) is limited by the problem of exploration. This issue has been addressed using potential-based reward shaping (PB-RS) previously. In the present work, we introduce Final-Volume-Preserving Reward Shaping (FV-RS). FV-RS relaxes the strict optimality guarantees of PB-RS to a guarantee of preserved long-term behavior. Being less restrictive, FV-RS allows for reward shaping functions that are even better suited for improving the sample efficiency of RL algorithms. In particular, we consider settings in which the agent has access to an approximate plan. Here, we use examples of simulated robotic manipulation tasks to demonstrate that plan-based FV-RS can indeed significantly improve the sample efficiency of RL over plan-based PB-RS.

Federated learning is a distributed machine learning paradigm in which a large number of clients coordinate with a central server to learn a model without sharing their own training data. Standard federated optimization methods such as Federated Averaging (FedAvg) are often difficult to tune and exhibit unfavorable convergence behavior. In non-federated settings, adaptive optimization methods have had notable success in combating such issues. In this work, we propose federated versions of adaptive optimizers, including Adagrad, Adam, and Yogi, and analyze their convergence in the presence of heterogeneous data for general non-convex settings. Our results highlight the interplay between client heterogeneity and communication efficiency. We also perform extensive experiments on these methods and show that the use of adaptive optimizers can significantly improve the performance of federated learning.

We present GraPPa, an effective pre-training approach for table semantic parsing that learns a compositional inductive bias in the joint representations of textual and tabular data. We construct synthetic question-SQL pairs over high-quality tables via a synchronous context-free grammar (SCFG). We pre-train our model on the synthetic data to inject important structural properties commonly found in semantic parsing into the pre-training language model. To maintain the model's ability to represent real-world data, we also include masked language modeling (MLM) on several existing table-related datasets to regularize our pre-training process. Our proposed pre-training strategy is much data-efficient. When incorporated with strong base semantic parsers, GraPPa achieves new state-of-the-art results on four popular fully supervised and weakly supervised table semantic parsing tasks.

We propose a new framework, Translation between Augmented Natural Languages (TANL), to solve many structured prediction language tasks including joint entity and relation extraction, nested named entity recognition, relation classification, semantic role labeling, event extraction, coreference resolution, and dialogue state tracking. Instead of tackling the problem by training task-specific discriminative classifiers, we frame it as a translation task between augmented natural languages, from which the task-relevant information can be easily extracted. Our approach can match or outperform task-specific models on all tasks, and in particular achieves new state-of-the-art results on joint entity and relation extraction (CoNLL04, ADE, NYT, and ACE2005 datasets), relation classification (FewRel and TACRED), and semantic role labeling (CoNLL-2005 and CoNLL-2012). We accomplish this while using the same architecture and hyperparameters for all tasks, and even when training a single model to solve all tasks at the same time (multi-task learning). Finally, we show that our framework can also significantly improve the performance in a low-resource regime, thanks to better use of label semantics.

Geometric variations like rotation, scaling, and viewpoint changes pose a significant challenge to visual understanding. One common solution is to directly model certain intrinsic structures, e.g., using landmarks. However, it then becomes non-trivial to build effective deep models, especially when the underlying non-Euclidean grid is irregular and coarse. Recent deep models using graph convolutions provide an appropriate framework to handle such non-Euclidean data, but many of them, particularly those based on global graph Laplacians, lack expressiveness to capture local features required for representation of signals lying on the non-Euclidean grid. The current paper introduces a new type of graph convolution with learnable low-rank local filters, which is provably more expressive than previous spectral graph convolution methods. The model also provides a unified framework for both spectral and spatial graph convolutions. To improve model robustness, regularization by local graph Laplacians is introduced. The representation stability against input graph data perturbation is theoretically proved, making use of the graph filter locality and the local graph regularization. Experiments on spherical mesh data, real-world facial expression recognition/skeleton-based action recognition data, and data with simulated graph noise show the empirical advantage of the proposed model.

We present neural architectures that disentangle RGB-D images into objects’ shapes and styles and a map of the background scene, and explore their applications for few-shot 3D object detection and few-shot concept classification. Our networks incorporate architectural biases that reflect the image formation process, 3D geometry of the world scene, and shape-style interplay. They are trained end-to-end self-supervised by predicting views in static scenes, alongside a small number of 3D object boxes. Objects and scenes are represented in terms of 3D feature grids in the bottleneck of the network. We show the proposed 3D neural representations are compositional: they can generate novel 3D scene feature maps by mixing object shapes and styles, resizing and adding the resulting object 3D feature maps over background scene feature maps. We show object detectors trained on hallucinated 3D neural scenes generalize better to novel environments. We show classifiers for object categories, color, materials, and spatial relationships trained over the disentangled 3D feature sub-spaces generalize better with dramatically fewer exemplars over the current state-of-the-art, and enable a visual question answering system that uses them as its modules to generalize one-shot to novel objects in the scene.

Recent works in Generative Adversarial Networks (GANs) are actively revisiting various data augmentation techniques as an effective way to prevent discriminator overfitting. It is still unclear, however, that which augmentations could actually improve GANs, and in particular, how to apply a wider range of augmentations in training. In this paper, we propose a novel way to address these questions by incorporating a recent contrastive representation learning scheme into the GAN discriminator, coined ContraD. This "fusion" enables the discriminators to work with much stronger augmentations without increasing their training instability, thereby preventing the discriminator overfitting issue in GANs more effectively. Even better, we observe that the contrastive learning itself also benefits from our GAN training, i.e., by maintaining discriminative features between real and fake samples, suggesting a strong coherence between the two worlds: good contrastive representations are also good for GAN discriminators, and vice versa. Our experimental results show that GANs with ContraD consistently improve FID and IS compared to other recent techniques incorporating data augmentations, still maintaining highly discriminative features in the discriminator in terms of the linear evaluation. Finally, as a byproduct, we also show that our GANs trained in an unsupervised manner (without labels) can induce many conditional …

Automating molecular design using deep reinforcement learning (RL) has the potential to greatly accelerate the search for novel materials. Despite recent progress on leveraging graph representations to design molecules, such methods are fundamentally limited by the lack of three-dimensional (3D) information. In light of this, we propose a novel actor-critic architecture for 3D molecular design that can generate molecular structures unattainable with previous approaches. This is achieved by exploiting the symmetries of the design process through a rotationally covariant state-action representation based on a spherical harmonics series expansion. We demonstrate the benefits of our approach on several 3D molecular design tasks, where we find that building in such symmetries significantly improves generalization and the quality of generated molecules.

In most real world scenarios, a policy trained by reinforcement learning in one environment needs to be deployed in another, potentially quite different environment. However, generalization across different environments is known to be hard. A natural solution would be to keep training after deployment in the new environment, but this cannot be done if the new environment offers no reward signal. Our work explores the use of self-supervision to allow the policy to continue training after deployment without using any rewards. While previous methods explicitly anticipate changes in the new environment, we assume no prior knowledge of those changes yet still obtain significant improvements. Empirical evaluations are performed on diverse simulation environments from DeepMind Control suite and ViZDoom, as well as real robotic manipulation tasks in continuously changing environments, taking observations from an uncalibrated camera. Our method improves generalization in 31 out of 36 environments across various tasks and outperforms domain randomization on a majority of environments. Webpage and implementation: https://nicklashansen.github.io/PAD/.

We present lambda layers -- an alternative framework to self-attention -- for capturing long-range interactions between an input and structured contextual information (e.g. a pixel surrounded by other pixels). Lambda layers capture such interactions by transforming available contexts into linear functions, termed lambdas, and applying these linear functions to each input separately. Similar to linear attention, lambda layers bypass expensive attention maps, but in contrast, they model both content and position-based interactions which enables their application to large structured inputs such as images. The resulting neural network architectures, LambdaNetworks, significantly outperform their convolutional and attentional counterparts on ImageNet classification, COCO object detection and instance segmentation, while being more computationally efficient. Additionally, we design LambdaResNets, a family of hybrid architectures across different scales, that considerably improves the speed-accuracy tradeoff of image classification models. LambdaResNets reach excellent accuracies on ImageNet while being 3.2 - 4.4x faster than the popular EfficientNets on modern machine learning accelerators. In large-scale semi-supervised training with an additional 130M pseudo-labeled images, LambdaResNets achieve up to 86.7% ImageNet accuracy while being 9.5x faster than EfficientNet NoisyStudent and 9x faster than a Vision Transformer with comparable accuracies.

Active learning is a powerful tool when labelling data is expensive, but it introduces a bias because the training data no longer follows the population distribution. We formalize this bias and investigate the situations in which it can be harmful and sometimes even helpful. We further introduce novel corrective weights to remove bias when doing so is beneficial. Through this, our work not only provides a useful mechanism that can improve the active learning approach, but also an explanation for the empirical successes of various existing approaches which ignore this bias. In particular, we show that this bias can be actively helpful when training overparameterized models---like neural networks---with relatively modest dataset sizes.

Invariant Causal Prediction (Peters et al., 2016) is a technique for out-of-distribution generalization which assumes that some aspects of the data distribution vary across the training set but that the underlying causal mechanisms remain constant. Recently, Arjovsky et al. (2019) proposed Invariant Risk Minimization (IRM), an objective based on this idea for learning deep, invariant features of data which are a complex function of latent variables; many alternatives have subsequently been suggested. However, formal guarantees for all of these works are severely lacking. In this paper, we present the first analysis of classification under the IRM objective—as well as these recently proposed alternatives—under a fairly natural and general model. In the linear case, we show simple conditions under which the optimal solution succeeds or, more often, fails to recover the optimal invariant predictor. We furthermore present the very first results in the non-linear regime: we demonstrate that IRM can fail catastrophically unless the test data is sufficiently similar to the training distribution—this is precisely the issue that it was intended to solve. Thus, in this setting we find that IRM and its alternatives fundamentally do not improve over standard Empirical Risk Minimization.

The ability to learn continually without forgetting the past tasks is a desired attribute for artificial learning systems. Existing approaches to enable such learning in artificial neural networks usually rely on network growth, importance based weight update or replay of old data from the memory. In contrast, we propose a novel approach where a neural network learns new tasks by taking gradient steps in the orthogonal direction to the gradient subspaces deemed important for the past tasks. We find the bases of these subspaces by analyzing network representations (activations) after learning each task with Singular Value Decomposition (SVD) in a single shot manner and store them in the memory as Gradient Projection Memory (GPM). With qualitative and quantitative analyses, we show that such orthogonal gradient descent induces minimum to no interference with the past tasks, thereby mitigates forgetting. We evaluate our algorithm on diverse image classification datasets with short and long sequences of tasks and report better or on-par performance compared to the state-of-the-art approaches.

We re-evaluate the standard practice of sharing weights between input and output embeddings in state-of-the-art pre-trained language models. We show that decoupled embeddings provide increased modeling flexibility, allowing us to significantly improve the efficiency of parameter allocation in the input embedding of multilingual models. By reallocating the input embedding parameters in the Transformer layers, we achieve dramatically better performance on standard natural language understanding tasks with the same number of parameters during fine-tuning. We also show that allocating additional capacity to the output embedding provides benefits to the model that persist through the fine-tuning stage even though the output embedding is discarded after pre-training. Our analysis shows that larger output embeddings prevent the model's last layers from overspecializing to the pre-training task and encourage Transformer representations to be more general and more transferable to other tasks and languages. Harnessing these findings, we are able to train models that achieve strong performance on the XTREME benchmark without increasing the number of parameters at the fine-tuning stage.

Poor generalization is one symptom of models that learn to predict target variables using spuriously-correlated image features present only in the training distribution instead of the true image features that denote a class. It is often thought that this can be diagnosed visually using attribution (aka saliency) maps. We study if this assumption is correct. In some prediction tasks, such as for medical images, one may have some images with masks drawn by a human expert, indicating a region of the image containing relevant information to make the prediction. We study multiple methods that take advantage of such auxiliary labels, by training networks to ignore distracting features which may be found outside of the region of interest. This mask information is only used during training and has an impact on generalization accuracy depending on the severity of the shift between the training and test distributions. Surprisingly, while these methods improve generalization performance in the presence of a covariate shift, there is no strong correspondence between the correction of attribution towards the features a human expert have labelled as important and generalization performance. These results suggest that the root cause of poor generalization may not always be spatially defined, and raise …

In this paper, we investigate the principle that good explanations are hard to vary in the context of deep learning. We show that averaging gradients across examples -- akin to a logical OR of patterns -- can favor memorization and `patchwork' solutions that sew together different strategies, instead of identifying invariances. To inspect this, we first formalize a notion of consistency for minima of the loss surface, which measures to what extent a minimum appears only when examples are pooled. We then propose and experimentally validate a simple alternative algorithm based on a logical AND, that focuses on invariances and prevents memorization in a set of real-world tasks. Finally, using a synthetic dataset with a clear distinction between invariant and spurious mechanisms, we dissect learning signals and compare this approach to well-established regularizers.

Reinforcement learning provides a general framework for flexible decision making and control, but requires extensive data collection for each new task that an agent needs to learn. In other machine learning fields, such as natural language processing or computer vision, pre-training on large, previously collected datasets to bootstrap learning for new tasks has emerged as a powerful paradigm to reduce data requirements when learning a new task. In this paper, we ask the following question: how can we enable similarly useful pre-training for RL agents? We propose a method for pre-training behavioral priors that can capture complex input-output relationships observed in successful trials from a wide range of previously seen tasks, and we show how this learned prior can be used for rapidly learning new tasks without impeding the RL agent's ability to try out novel behaviors. We demonstrate the effectiveness of our approach in challenging robotic manipulation domains involving image observations and sparse reward functions, where our method outperforms prior works by a substantial margin. Additional materials can be found on our project website: https://sites.google.com/view/parrot-rl

Understanding how large neural networks avoid memorizing training data is key to explaining their high generalization performance. To examine the structure of when and where memorization occurs in a deep network, we use a recently developed replica-based mean field theoretic geometric analysis method. We find that all layers preferentially learn from examples which share features, and link this behavior to generalization performance. Memorization predominately occurs in the deeper layers, due to decreasing object manifolds’ radius and dimension, whereas early layers are minimally affected. This predicts that generalization can be restored by reverting the final few layer weights to earlier epochs before significant memorization occurred, which is confirmed by the experiments. Additionally, by studying generalization under different model sizes, we reveal the connection between the double descent phenomenon and the underlying model geometry. Finally, analytical analysis shows that networks avoid memorization early in training because close to initialization, the gradient contribution from permuted examples are small. These findings provide quantitative evidence for the structure of memorization across layers of a deep neural network, the drivers for such structure, and its connection to manifold geometric properties.

Continual learning methods with fixed architectures rely on a single network to learn models that can perform well on all tasks. As a result, they often only accommodate common features of those tasks but neglect each task's specific features. On the other hand, dynamic architecture methods can have a separate network for each task, but they are too expensive to train and not scalable in practice, especially in online settings. To address this problem, we propose a novel online continual learning method named ``Contextual Transformation Networks” (CTN) to efficiently model the \emph{task-specific features} while enjoying neglectable complexity overhead compared to other fixed architecture methods. Moreover, inspired by the Complementary Learning Systems (CLS) theory, we propose a novel dual memory design and an objective to train CTN that can address both catastrophic forgetting and knowledge transfer simultaneously. Our extensive experiments show that CTN is competitive with a large scale dynamic architecture network and consistently outperforms other fixed architecture methods under the same standard backbone. Our implementation can be found at \url{https://github.com/phquang/Contextual-Transformation-Network}.

The volume of "free" data on the internet has been key to the current success of deep learning. However, it also raises privacy concerns about the unauthorized exploitation of personal data for training commercial models. It is thus crucial to develop methods to prevent unauthorized data exploitation. This paper raises the question: can data be made unlearnable for deep learning models? We present a type of error-minimizing noise that can indeed make training examples unlearnable. Error-minimizing noise is intentionally generated to reduce the error of one or more of the training example(s) close to zero, which can trick the model into believing there is "nothing" to learn from these example(s). The noise is restricted to be imperceptible to human eyes, and thus does not affect normal data utility. We empirically verify the effectiveness of error-minimizing noise in both sample-wise and class-wise forms. We also demonstrate its flexibility under extensive experimental settings and practicability in a case study of face recognition. Our work establishes an important first step towards making personal data unexploitable to deep learning models.

Knowledge about the locations of keypoints of an object in an image can assist in fine-grained classification and identification tasks, particularly for the case of objects that exhibit large variations in poses that greatly influence their visual appearance, such as wild animals. However, supervised training of a keypoint detection network requires annotating a large image dataset for each animal species, which is a labor-intensive task. To reduce the need for labeled data, we propose to learn simultaneously keypoint heatmaps and pose invariant keypoint representations in a semi-supervised manner using a small set of labeled images along with a larger set of unlabeled images. Keypoint representations are learnt with a semantic keypoint consistency constraint that forces the keypoint detection network to learn similar features for the same keypoint across the dataset. Pose invariance is achieved by making keypoint representations for the image and its augmented copies closer together in feature space. Our semi-supervised approach significantly outperforms previous methods on several benchmarks for human and animal body landmark localization.

Inverse Reinforcement Learning (IRL) aims to facilitate a learner’s ability to imitate expert behavior by acquiring reward functions that explain the expert’s decisions. Regularized IRLapplies strongly convex regularizers to the learner’s policy in order to avoid the expert’s behavior being rationalized by arbitrary constant rewards, also known as degenerate solutions. We propose tractable solutions, and practical methods to obtain them, for regularized IRL. Current methods are restricted to the maximum-entropy IRL framework, limiting them to Shannon-entropy regularizers, as well as proposing solutions that are intractable in practice. We present theoretical backing for our proposed IRL method’s applicability to both discrete and continuous controls, empirically validating our performance on a variety of tasks.

Disparate impact has raised serious concerns in machine learning applications and its societal impacts. In response to the need of mitigating discrimination, fairness has been regarded as a crucial property in algorithmic design. In this work, we study the problem of disparate impact on graph-structured data. Specifically, we focus on dyadic fairness, which articulates a fairness concept that a predictive relationship between two instances should be independent of the sensitive attributes. Based on this, we theoretically relate the graph connections to dyadic fairness on link predictive scores in learning graph neural networks, and reveal that regulating weights on existing edges in a graph contributes to dyadic fairness conditionally. Subsequently, we propose our algorithm, \textbf{FairAdj}, to empirically learn a fair adjacency matrix with proper graph structural constraints for fair link prediction, and in the meanwhile preserve predictive accuracy as much as possible. Empirical validation demonstrates that our method delivers effective dyadic fairness in terms of various statistics, and at the same time enjoys a favorable fairness-utility tradeoff.

Although spatio-temporal graph neural networks have achieved great empirical success in handling multiple correlated time series, they may be impractical in some real-world scenarios due to a lack of sufficient high-quality training data. Furthermore, spatio-temporal graph neural networks lack theoretical interpretation. To address these issues, we put forth a novel mathematically designed framework to analyze spatio-temporal data. Our proposed spatio-temporal graph scattering transform (ST-GST) extends traditional scattering transform to the spatio-temporal domain. It performs iterative applications of spatio-temporal graph wavelets and nonlinear activation functions, which can be viewed as a forward pass of spatio-temporal graph convolutional networks without training. Since all the filter coefficients in ST-GST are mathematically designed, it is promising for the real-world scenarios with limited training data, and also allows for a theoretical analysis, which shows that the proposed ST-GST is stable to small perturbations of input signals and structures. Finally, our experiments show that i) ST-GST outperforms spatio-temporal graph convolutional networks by an increase of 35% in accuracy for MSR Action3D dataset; ii) it is better and computationally more efficient to design the transform based on separable spatio-temporal graphs than the joint ones; and iii) nonlinearity in ST-GST is critical to empirical performance.

While federated learning traditionally aims to train a single global model across decentralized local datasets, one model may not always be ideal for all participating clients. Here we propose an alternative, where each client only federates with other relevant clients to obtain a stronger model per client-specific objectives. To achieve this personalization, rather than computing a single model average with constant weights for the entire federation as in traditional FL, we efficiently calculate optimal weighted model combinations for each client, based on figuring out how much a client can benefit from another's model. We do not assume knowledge of any underlying data distributions or client similarities, and allow each client to optimize for arbitrary target distributions of interest, enabling greater flexibility for personalization. We evaluate and characterize our method on a variety of federated settings, datasets, and degrees of local data heterogeneity. Our method outperforms existing alternatives, while also enabling new features for personalized FL such as transfer outside of local data distributions.

Can deep learning solve multiple, very different tasks simultaneously? We investigate how the representations of the underlying tasks affect the ability of a single neural network to learn them jointly. We present theoretical and empirical findings that a single neural network is capable of simultaneously learning multiple tasks from a combined data set, for a variety of methods for representing tasks---for example, when the distinct tasks are encoded by well-separated clusters or decision trees over some task-code attributes. Indeed, more strongly, we present a novel analysis that shows that families of simple programming-like constructs for the codes encoding the tasks are learnable by two-layer neural networks with standard training. We study more generally how the complexity of learning such combined tasks grows with the complexity of the task codes; we find that learning many tasks can be provably hard, even though the individual tasks are easy to learn. We provide empirical support for the usefulness of the learning bounds by training networks on clusters, decision trees, and SQL-style aggregation.

While successful for various computer vision tasks, deep neural networks have shown to be vulnerable to texture style shifts and small perturbations to which humans are robust. In this work, we show that the robustness of neural networks can be greatly improved through the use of random convolutions as data augmentation. Random convolutions are approximately shape-preserving and may distort local textures. Intuitively, randomized convolutions create an infinite number of new domains with similar global shapes but random local texture. Therefore, we explore using outputs of multi-scale random convolutions as new images or mixing them with the original images during training. When applying a network trained with our approach to unseen domains, our method consistently improves the performance on domain generalization benchmarks and is scalable to ImageNet. In particular, in the challenging scenario of generalizing to the sketch domain in PACS and to ImageNet-Sketch, our method outperforms state-of-art methods by a large margin. More interestingly, our method can benefit downstream tasks by providing a more robust pretrained visual representation.

Growing applications of generative models have led to new threats such as malicious personation and digital copyright infringement. One solution to these threats is model attribution, i.e., the identification of user-end models where the contents under question are generated. Existing studies showed empirical feasibility of attribution through a centralized classifier trained on all existing user-end models. However, this approach is not scalable in a reality where the number of models ever grows. Neither does it provide an attributability guarantee. To this end, this paper studies decentralized attribution, which relies on binary classifiers associated with each user-end model. Each binary classifier is parameterized by a user-specific key and distinguishes its associated model distribution from the authentic data distribution. We develop sufficient conditions of the keys that guarantee an attributability lower bound. Our method is validated on MNIST, CelebA, and FFHQ datasets. We also examine the trade-off between generation quality and robustness of attribution against adversarial post-processes.

Bloom filters are space-efficient probabilistic data structures that are used to test whether an element is a member of a set, and may return false positives. Recently, variations referred to as learned Bloom filters were developed that can provide improved performance in terms of the rate of false positives, by using a learned model for the represented set. However, previous methods for learned Bloom filters do not take full advantage of the learned model. Here we show how to frame the problem of optimal model utilization as an optimization problem, and using our framework derive algorithms that can achieve near-optimal performance in many cases.

Classifiers in machine learning are often brittle when deployed. Particularly concerning are models with inconsistent performance on specific subgroups of a class, e.g., exhibiting disparities in skin cancer classification in the presence or absence of a spurious bandage. To mitigate these performance differences, we introduce model patching, a two-stage framework for improving robustness that encourages the model to be invariant to subgroup differences, and focus on class information shared by subgroups. Model patching first models subgroup features within a class and learns semantic transformations between them, and then trains a classifier with data augmentations that deliberately manipulate subgroup features. We instantiate model patching with CAMEL, which (1) uses a CycleGAN to learn the intra-class, inter-subgroup augmentations, and (2) balances subgroup performance using a theoretically-motivated subgroup consistency regularizer, accompanied by a new robust objective. We demonstrate CAMEL’s effectiveness on 3 benchmark datasets, with reductions in robust error of up to 33% relative to the best baseline. Lastly, CAMEL successfully patches a model that fails due to spurious features on a real-world skin cancer dataset.

Most few-shot learning techniques are pre-trained on a large, labeled “base dataset”. In problem domains where such large labeled datasets are not available for pre-training (e.g., X-ray, satellite images), one must resort to pre-training in a different “source” problem domain (e.g., ImageNet), which can be very different from the desired target task. Traditional few-shot and transfer learning techniques fail in the presence of such extreme differences between the source and target tasks. In this paper, we present a simple and effective solution to tackle this extreme domain gap: self-training a source domain representation on unlabeled data from the target domain. We show that this improves one-shot performance on the target domain by 2.9 points on average on the challenging BSCD-FSL benchmark consisting of datasets from multiple domains.

Empirical risk minimization (ERM) is typically designed to perform well on the average loss, which can result in estimators that are sensitive to outliers, generalize poorly, or treat subgroups unfairly. While many methods aim to address these problems individually, in this work, we explore them through a unified framework---tilted empirical risk minimization (TERM). In particular, we show that it is possible to flexibly tune the impact of individual losses through a straightforward extension to ERM using a hyperparameter called the tilt. We provide several interpretations of the resulting framework: We show that TERM can increase or decrease the influence of outliers, respectively, to enable fairness or robustness; has variance-reduction properties that can benefit generalization; and can be viewed as a smooth approximation to a superquantile method. We develop batch and stochastic first-order optimization methods for solving TERM, and show that the problem can be efficiently solved relative to common alternatives. Finally, we demonstrate that TERM can be used for a multitude of applications, such as enforcing fairness between subgroups, mitigating the effect of outliers, and handling class imbalance. TERM is not only competitive with existing solutions tailored to these individual problems, but can also enable entirely new applications, such as …

Deep neural networks are known to be vulnerable to adversarial examples, where a perturbation in the input space leads to an amplified shift in the latent network representation. In this paper, we combine canonical supervised learning with self-supervised representation learning, and present Self-supervised Online Adversarial Purification (SOAP), a novel defense strategy that uses a self-supervised loss to purify adversarial examples at test-time. Our approach leverages the label-independent nature of self-supervised signals and counters the adversarial perturbation with respect to the self-supervised tasks. SOAP yields competitive robust accuracy against state-of-the-art adversarial training and purification methods, with considerably less training complexity. In addition, our approach is robust even when adversaries are given the knowledge of the purification defense strategy. To the best of our knowledge, our paper is the first that generalizes the idea of using self-supervised signals to perform online test-time purification.

Conversational Semantic Parsing (CSP) is the task of converting a sequence of natural language queries to formal language (e.g., SQL, SPARQL) that can be executed against a structured ontology (e.g. databases, knowledge bases). To accomplish this task, a CSP system needs to model the relation between the unstructured language utterance and the structured ontology while representing the multi-turn dynamics of the dialog. Pre-trained language models (LMs) are the state-of-the-art for various natural language processing tasks. However, existing pre-trained LMs that use language modeling training objectives over free-form text have limited ability to represent natural language references to contextual structural data. In this work, we present SCORE, a new pre-training approach for CSP tasks designed to induce representations that capture the alignment between the dialogue flow and the structural context. We demonstrate the broad applicability of SCORE to CSP tasks by combining SCORE with strong base systems on four different tasks (SPARC, COSQL, MWOZ, and SQA). We show that SCORE can improve the performance over all these base systems by a significant margin and achieves state-of-the-art results on three of them.

For deep neural network accelerators, memory movement is both energetically expensive and can bound computation. Therefore, optimal mapping of tensors to memory hierarchies is critical to performance. The growing complexity of neural networks calls for automated memory mapping instead of manual heuristic approaches; yet the search space of neural network computational graphs have previously been prohibitively large. We introduce Evolutionary Graph Reinforcement Learning (EGRL), a method designed for large search spaces, that combines graph neural networks, reinforcement learning, and evolutionary search. A set of fast, stateless policies guide the evolutionary search to improve its sample-efficiency. We train and validate our approach directly on the Intel NNP-I chip for inference. EGRL outperforms policy-gradient, evolutionary search and dynamic programming baselines on BERT, ResNet-101 and ResNet-50. We additionally achieve 28-78% speed-up compared to the native NNP-I compiler on all three workloads.

Dense embedding models are commonly deployed in commercial search engines, wherein all the document vectors are pre-computed, and near-neighbor search (NNS) is performed with the query vector to find relevant documents. However, the bottleneck of indexing a large number of dense vectors and performing an NNS hurts the query time and accuracy of these models. In this paper, we argue that high-dimensional and ultra-sparse embedding is a significantly superior alternative to dense low-dimensional embedding for both query efficiency and accuracy. Extreme sparsity eliminates the need for NNS by replacing them with simple lookups, while its high dimensionality ensures that the embeddings are informative even when sparse. However, learning extremely high dimensional embeddings leads to blow up in the model size. To make the training feasible, we propose a partitioning algorithm that learns such high dimensional embeddings across multiple GPUs without any communication. This is facilitated by our novel asymmetric mixture of Sparse, Orthogonal, Learned and Random (SOLAR) Embeddings. The label vectors are random, sparse, and near-orthogonal by design, while the query vectors are learned and sparse. We theoretically prove that our way of one-sided learning is equivalent to learning both query and label embeddings. With these unique properties, we can …

A data set sampled from a certain population is biased if the subgroups of the population are sampled at proportions that are significantly different from their underlying proportions. Training machine learning models on biased data sets requires correction techniques to compensate for the bias. We consider two commonly-used techniques, resampling and reweighting, that rebalance the proportions of the subgroups to maintain the desired objective function. Though statistically equivalent, it has been observed that resampling outperforms reweighting when combined with stochastic gradient algorithms. By analyzing illustrative examples, we explain the reason behind this phenomenon using tools from dynamical stability and stochastic asymptotics. We also present experiments from regression, classification, and off-policy prediction to demonstrate that this is a general phenomenon. We argue that it is imperative to consider the objective function design and the optimization algorithm together while addressing the sampling bias.

How to make unsupervised language pre-training more efficient and less resource-intensive is an important research direction in NLP. In this paper, we focus on improving the efficiency of language pre-training methods through providing better data utilization. It is well-known that in language data corpus, words follow a heavy-tail distribution. A large proportion of words appear only very few times and the embeddings of rare words are usually poorly optimized. We argue that such embeddings carry inadequate semantic signals, which could make the data utilization inefficient and slow down the pre-training of the entire model. To mitigate this problem, we propose Taking Notes on the Fly (TNF), which takes notes for rare words on the fly during pre-training to help the model understand them when they occur next time. Specifically, TNF maintains a note dictionary and saves a rare word's contextual information in it as notes when the rare word occurs in a sentence. When the same rare word occurs again during training, the note information saved beforehand can be employed to enhance the semantics of the current sentence. By doing so, TNF provides a better data utilization since cross-sentence information is employed to cover the inadequate semantics caused by rare …

While energy-based models (EBMs) exhibit a number of desirable properties, training and sampling on high-dimensional datasets remains challenging. Inspired by recent progress on diffusion probabilistic models, we present a diffusion recovery likelihood method to tractably learn and sample from a sequence of EBMs trained on increasingly noisy versions of a dataset. Each EBM is trained with recovery likelihood, which maximizes the conditional probability of the data at a certain noise level given their noisy versions at a higher noise level. Optimizing recovery likelihood is more tractable than marginal likelihood, as sampling from the conditional distributions is much easier than sampling from the marginal distributions. After training, synthesized images can be generated by the sampling process that initializes from Gaussian white noise distribution and progressively samples the conditional distributions at decreasingly lower noise levels. Our method generates high fidelity samples on various image datasets. On unconditional CIFAR-10 our method achieves FID 9.58 and inception score 8.30, superior to the majority of GANs. Moreover, we demonstrate that unlike previous work on EBMs, our long-run MCMC samples from the conditional distributions do not diverge and still represent realistic images, allowing us to accurately estimate the normalized density of data even for high-dimensional datasets. …

Solving continuous minimax optimization is of extensive practical interest, yet notoriously unstable and difficult. This paper introduces the learning to optimize(L2O) methodology to the minimax problems for the first time and addresses its accompanying unique challenges. We first present Twin-L2O, the first dedicated minimax L2O method consisting of two LSTMs for updating min and max variables separately. The decoupled design is found to facilitate learning, particularly when the min and max variables are highly asymmetric. Empirical experiments on a variety of minimax problems corroborate the effectiveness of Twin-L2O. We then discuss a crucial concern of Twin-L2O, i.e., its inevitably limited generalizability to unseen optimizees. To address this issue, we present two complementary strategies. Our first solution, Enhanced Twin-L2O, is empirically applicable for general minimax problems, by improving L2O training via leveraging curriculum learning. Our second alternative, called Safeguarded Twin-L2O, is a preliminary theoretical exploration stating that under some strong assumptions, it is possible to theoretically establish the convergence of Twin-L2O. We benchmark our algorithms on several testbed problems and compare against state-of-the-art minimax solvers. The code is available at: https://github.com/VITA-Group/L2O-Minimax.

It is widely believed that natural image data exhibits low-dimensional structure despite the high dimensionality of conventional pixel representations. This idea underlies a common intuition for the remarkable success of deep learning in computer vision. In this work, we apply dimension estimation tools to popular datasets and investigate the role of low-dimensional structure in deep learning. We find that common natural image datasets indeed have very low intrinsic dimension relative to the high number of pixels in the images. Additionally, we find that low dimensional datasets are easier for neural networks to learn, and models solving these tasks generalize better from training to test data. Along the way, we develop a technique for validating our dimension estimation tools on synthetic data generated by GANs allowing us to actively manipulate the intrinsic dimension by controlling the image generation process. Code for our experiments may be found \href{https://github.com/ppope/dimensions}{here}.

This paper introduces WaveGrad, a conditional model for waveform generation which estimates gradients of the data density. The model is built on prior work on score matching and diffusion probabilistic models. It starts from a Gaussian white noise signal and iteratively refines the signal via a gradient-based sampler conditioned on the mel-spectrogram. WaveGrad offers a natural way to trade inference speed for sample quality by adjusting the number of refinement steps, and bridges the gap between non-autoregressive and autoregressive models in terms of audio quality. We find that it can generate high fidelity audio samples using as few as six iterations. Experiments reveal WaveGrad to generate high fidelity audio, outperforming adversarial non-autoregressive baselines and matching a strong likelihood-based autoregressive baseline using fewer sequential operations. Audio samples are available at https://wavegrad.github.io/.

Large-scale language models have recently demonstrated impressive empirical performance. Nevertheless, the improved results are attained at the price of bigger models, more power consumption, and slower inference, which hinder their applicability to low-resource (both memory and computation) platforms. Knowledge distillation (KD) has been demonstrated as an effective framework for compressing such big models. However, large-scale neural network systems are prone to memorize training instances, and thus tend to make inconsistent predictions when the data distribution is altered slightly. Moreover, the student model has few opportunities to request useful information from the teacher model when there is limited task-specific data available. To address these issues, we propose MixKD, a data-agnostic distillation framework that leverages mixup, a simple yet efficient data augmentation approach, to endow the resulting model with stronger generalization ability. Concretely, in addition to the original training examples, the student model is encouraged to mimic the teacher's behavior on the linear interpolation of example pairs as well. We prove from a theoretical perspective that under reasonable conditions MixKD gives rise to a smaller gap between the generalization error and the empirical error. To verify its effectiveness, we conduct experiments on the GLUE benchmark, where MixKD consistently leads to significant gains …

Transformers are state-of-the-art models for a variety of sequence modeling tasks. At their core is an attention function which models pairwise interactions between the inputs at every timestep. While attention is powerful, it does not scale efficiently to long sequences due to its quadratic time and space complexity in the sequence length. We propose RFA, a linear time and space attention that uses random feature methods to approximate the softmax function, and explore its application in transformers. RFA can be used as a drop-in replacement for conventional softmax attention and offers a straightforward way of learning with recency bias through an optional gating mechanism. Experiments on language modeling and machine translation demonstrate that RFA achieves similar or better performance compared to strong transformer baselines. In the machine translation experiment, RFA decodes twice as fast as a vanilla transformer. Compared to existing efficient transformer variants, RFA is competitive in terms of both accuracy and efficiency on three long text classification datasets. Our analysis shows that RFA’s efficiency gains are especially notable on long sequences, suggesting that RFA will be particularly useful in tasks that require working with large inputs, fast decoding speed, or low memory footprints.

In this work we consider data-driven optimization problems where one must maximize a function given only queries at a fixed set of points. This problem setting emerges in many domains where function evaluation is a complex and expensive process, such as in the design of materials, vehicles, or neural network architectures. Because the available data typically only covers a small manifold of the possible space of inputs, a principal challenge is to be able to construct algorithms that can reason about uncertainty and out-of-distribution values, since a naive optimizer can easily exploit an estimated model to return adversarial inputs. We propose to tackle the MBO problem by leveraging the normalized maximum-likelihood (NML) estimator, which provides a principled approach to handling uncertainty and out-of-distribution inputs. While in the standard formulation NML is intractable, we propose a tractable approximation that allows us to scale our method to high-capacity neural network models. We demonstrate that our method can effectively optimize high-dimensional design problems in a variety of disciplines such as chemistry, biology, and materials engineering.

Recent progress in pre-trained neural language models has significantly improved the performance of many natural language processing (NLP) tasks. In this paper we propose a new model architecture DeBERTa (Decoding-enhanced BERT with disentangled attention) that improves the BERT and RoBERTa models using two novel techniques. The first is the disentangled attention mechanism, where each word is represented using two vectors that encode its content and position, respectively, and the attention weights among words are computed using disentangled matrices on their contents and relative positions, respectively. Second, an enhanced mask decoder is used to incorporate absolute positions in the decoding layer to predict the masked tokens in model pre-training. In addition, a new virtual adversarial training method is used for fine-tuning to improve models’ generalization. We show that these techniques significantly improve the efficiency of model pre-training and the performance of both natural language understand(NLU) and natural langauge generation (NLG) downstream tasks. Compared to RoBERTa-Large, a DeBERTa model trained on half of the training data performs consistently better on a wide range of NLP tasks, achieving improvements on MNLI by +0.9% (90.2% vs. 91.1%), on SQuAD v2.0 by +2.3% (88.4% vs. 90.7%) and RACE by +3.6% (83.2% vs. 86.8%). Notably, we …

We propose a webly-supervised representation learning method that does not suffer from the annotation unscalability of supervised learning, nor the computation unscalability of self-supervised learning. Most existing works on webly-supervised representation learning adopt a vanilla supervised learning method without accounting for the prevalent noise in the training data, whereas most prior methods in learning with label noise are less effective for real-world large-scale noisy data. We propose momentum prototypes (MoPro), a simple contrastive learning method that achieves online label noise correction, out-of-distribution sample removal, and representation learning. MoPro achieves state-of-the-art performance on WebVision, a weakly-labeled noisy dataset. MoPro also shows superior performance when the pretrained model is transferred to down-stream image classification and detection tasks. It outperforms the ImageNet supervised pretrained model by +10.5 on 1-shot classification on VOC, and outperforms the best self-supervised pretrained model by +17.3 when finetuned on 1% of ImageNet labeled samples. Furthermore, MoPro is more robust to distribution shifts. Code and pretrained models are available at https://github.com/salesforce/MoPro.

We propose a new framework for reasoning about generalization in deep learning. The core idea is to couple the Real World, where optimizers take stochastic gradient steps on the empirical loss, to an Ideal World, where optimizers take steps on the population loss. This leads to an alternate decomposition of test error into: (1) the Ideal World test error plus (2) the gap between the two worlds. If the gap (2) is universally small, this reduces the problem of generalization in offline learning to the problem of optimization in online learning. We then give empirical evidence that this gap between worlds can be small in realistic deep learning settings, in particular supervised image classification. For example, CNNs generalize better than MLPs on image distributions in the Real World, but this is "because" they optimize faster on the population loss in the Ideal World. This suggests our framework is a useful tool for understanding generalization in deep learning, and lays the foundation for future research in this direction.

In this paper, we revisit variational intrinsic control (VIC), an unsupervised reinforcement learning method for finding the largest set of intrinsic options available to an agent. In the original work by Gregor et al. (2016), two VIC algorithms were proposed: one that represents the options explicitly, and the other that does it implicitly. We show that the intrinsic reward used in the latter is subject to bias in stochastic environments, causing convergence to suboptimal solutions. To correct this behavior, we propose two methods respectively based on the transitional probability model and Gaussian Mixture Model. We substantiate our claims through rigorous mathematical derivations and experimental analyses.

We study the robustness of reinforcement learning (RL) with adversarially perturbed state observations, which aligns with the setting of many adversarial attacks to deep reinforcement learning (DRL) and is also important for rolling out real-world RL agent under unpredictable sensing noise. With a fixed agent policy, we demonstrate that an optimal adversary to perturb state observations can be found, which is guaranteed to obtain the worst case agent reward. For DRL settings, this leads to a novel empirical adversarial attack to RL agents via a learned adversary that is much stronger than previous ones. To enhance the robustness of an agent, we propose a framework of alternating training with learned adversaries (ATLA), which trains an adversary online together with the agent using policy gradient following the optimal adversarial attack framework. Additionally, inspired by the analysis of state-adversarial Markov decision process (SA-MDP), we show that past states and actions (history) can be useful for learning a robust agent, and we empirically find a LSTM based policy can be more robust under adversaries. Empirical evaluations on a few continuous control environments show that ATLA achieves state-of-the-art performance under strong adversaries. Our code is available at https://github.com/huanzhang12/ATLArobustRL.

In attempts to produce machine learning models less reliant on spurious patterns in NLP datasets, researchers have recently proposed curating counterfactually augmented data (CAD) via a human-in-the-loop process in which given some documents and their (initial) labels, humans must revise the text to make a counterfactual label applicable. Importantly, edits that are not necessary to flip the applicable label are prohibited. Models trained on the augmented (original and revised) data appear, empirically, to rely less on semantically irrelevant words and to generalize better out of domain. While this work draws loosely on causal thinking, the underlying causal model (even at an abstract level) and the principles underlying the observed out-of-domain improvements remain unclear. In this paper, we introduce a toy analog based on linear Gaussian models, observing interesting relationships between causal models, measurement noise, out-of-domain generalization, and reliance on spurious signals. Our analysis provides some insights that help to explain the efficacy of CAD. Moreover, we develop the hypothesis that while adding noise to causal features should degrade both in-domain and out-of-domain performance, adding noise to non-causal features should lead to relative improvements in out-of-domain performance. This idea inspires a speculative test for determining whether a feature attribution technique has …

Selective classification, in which models can abstain on uncertain predictions, is a natural approach to improving accuracy in settings where errors are costly but abstentions are manageable. In this paper, we find that while selective classification can improve average accuracies, it can simultaneously magnify existing accuracy disparities between various groups within a population, especially in the presence of spurious correlations. We observe this behavior consistently across five vision and NLP datasets. Surprisingly, increasing abstentions can even decrease accuracies on some groups. To better understand this phenomenon, we study the margin distribution, which captures the model’s confidences over all predictions. For symmetric margin distributions, we prove that whether selective classification monotonically improves or worsens accuracy is fully determined by the accuracy at full coverage (i.e., without any abstentions) and whether the distribution satisfies a property we call left-log-concavity. Our analysis also shows that selective classification tends to magnify full-coverage accuracy disparities. Motivated by our analysis, we train distributionally-robust models that achieve similar full-coverage accuracies across groups and show that selective classification uniformly improves each group on these models. Altogether, our results suggest that selective classification should be used with care and underscore the importance of training models to perform equally well …

Visual cognition of primates is superior to that of artificial neural networks in its ability to “envision” a visual object, even a newly-introduced one, in different attributes including pose, position, color, texture, etc. To aid neural networks to envision objects with different attributes, we propose a family of objective functions, expressed on groups of examples, as a novel learning framework that we term Group-Supervised Learning (GSL). GSL allows us to decompose inputs into a disentangled representation with swappable components, that can be recombined to synthesize new samples. For instance, images of red boats & blue cars can be decomposed and recombined to synthesize novel images of red cars. We propose an implementation based on auto-encoder, termed group-supervised zero-shot synthesis network (GZS-Net) trained with our learning framework, that can produce a high-quality red car even if no such example is witnessed during training. We test our model and learning framework on existing benchmarks, in addition to a new dataset that we open-source. We qualitatively and quantitatively demonstrate that GZS-Net trained with GSL outperforms state-of-the-art methods

We introduce a deep and light-weight transformer, DeLighT, that delivers similar or better performance than standard transformer-based models with significantly fewer parameters. DeLighT more efficiently allocates parameters both (1) within each Transformer block using the DeLighT transformation, a deep and light-weight transformation and (2) across blocks using block-wise scaling, that allows for shallower and narrower DeLighT blocks near the input and wider and deeper DeLighT blocks near the output. Overall, DeLighT networks are 2.5 to 4 times deeper than standard transformer models and yet have fewer parameters and operations. Experiments on benchmark machine translation and language modeling tasks show that DeLighT matches or improves the performance of baseline Transformers with 2 to 3 times fewer parameters on average.

We propose a novel federated learning method for distributively training neural network models, where the server orchestrates cooperation between a subset of randomly chosen devices in each round. We view Federated Learning problem primarily from a communication perspective and allow more device level computations to save transmission costs. We point out a fundamental dilemma, in that the minima of the local-device level empirical loss are inconsistent with those of the global empirical loss. Different from recent prior works, that either attempt inexact minimization or utilize devices for parallelizing gradient computation, we propose a dynamic regularizer for each device at each round, so that in the limit the global and device solutions are aligned. We demonstrate both through empirical results on real and synthetic data as well as analytical results that our scheme leads to efficient training, in both convex and non-convex settings, while being fully agnostic to device heterogeneity and robust to large number of devices, partial participation and unbalanced data.

Deep neural networks (DNNs) are known vulnerable to backdoor attacks, a training time attack that injects a trigger pattern into a small proportion of training data so as to control the model's prediction at the test time. Backdoor attacks are notably dangerous since they do not affect the model's performance on clean examples, yet can fool the model to make the incorrect prediction whenever the trigger pattern appears during testing. In this paper, we propose a novel defense framework Neural Attention Distillation (NAD) to erase backdoor triggers from backdoored DNNs. NAD utilizes a teacher network to guide the finetuning of the backdoored student network on a small clean subset of data such that the intermediate-layer attention of the student network aligns with that of the teacher network. The teacher network can be obtained by an independent finetuning process on the same clean subset. We empirically show, against 6 state-of-the-art backdoor attacks, NAD can effectively erase the backdoor triggers using only 5\% clean training data without causing obvious performance degradation on clean examples. Our code is available at https://github.com/bboylyg/NAD.

Recent advances in semi-supervised learning (SSL) demonstrate that a combination of consistency regularization and pseudo-labeling can effectively improve image classification accuracy in the low-data regime. Compared to classification, semantic segmentation tasks require much more intensive labeling costs. Thus, these tasks greatly benefit from data-efficient training methods. However, structured outputs in segmentation render particular difficulties (e.g., designing pseudo-labeling and augmentation) to apply existing SSL strategies. To address this problem, we present a simple and novel re-design of pseudo-labeling to generate well-calibrated structured pseudo labels for training with unlabeled or weakly-labeled data. Our proposed pseudo-labeling strategy is network structure agnostic to apply in a one-stage consistency training framework. We demonstrate the effectiveness of the proposed pseudo-labeling strategy in both low-data and high-data regimes. Extensive experiments have validated that pseudo labels generated from wisely fusing diverse sources and strong data augmentation are crucial to consistency training for segmentation. The source code will be released.

The lottery ticket hypothesis states that a highly sparsified sub-network can be trained in isolation, given the appropriate weight initialization. This paper extends that hypothesis from one-shot task learning, and demonstrates for the first time that such extremely compact and independently trainable sub-networks can be also identified in the lifelong learning scenario, which we call lifelong tickets. We show that the resulting lifelong ticket can further be leveraged to improve the performance of learning over continual tasks. However, it is highly non-trivial to conduct network pruning in the lifelong setting. Two critical roadblocks arise: i) As many tasks now arrive sequentially, finding tickets in a greedy weight pruning fashion will inevitably suffer from the intrinsic bias, that the earlier emerging tasks impact more; ii) As lifelong learning is consistently challenged by catastrophic forgetting, the compact network capacity of tickets might amplify the risk of forgetting. In view of those, we introduce two pruning options, e.g., top-down and bottom-up, for finding lifelong tickets. Compared to the top-down pruning that extends vanilla (iterative) pruning over sequential tasks, we show that the bottom-up one, which can dynamically shrink and (re-)expand model capacity, effectively avoids the undesirable excessive pruning in the early stage. We …

To quickly solve new tasks in complex environments, intelligent agents need to build up reusable knowledge. For example, a learned world model captures knowledge about the environment that applies to new tasks. Similarly, skills capture general behaviors that can apply to new tasks. In this paper, we investigate how these two approaches can be integrated into a single reinforcement learning agent. Specifically, we leverage the idea of partial amortization for fast adaptation at test time. For this, actions are produced by a policy that is learned over time while the skills it conditions on are chosen using online planning. We demonstrate the benefits of our design decisions across a suite of challenging locomotion tasks and demonstrate improved sample efficiency in single tasks as well as in transfer from one task to another, as compared to competitive baselines. Videos are available at: https://sites.google.com/view/latent-skill-planning/

In this paper, we cast fair machine learning as invariant machine learning. We first formulate a version of individual fairness that enforces invariance on certain sensitive sets. We then design a transport-based regularizer that enforces this version of individual fairness and develop an algorithm to minimize the regularizer efficiently. Our theoretical results guarantee the proposed approach trains certifiably fair ML models. Finally, in the experimental studies we demonstrate improved fairness metrics in comparison to several recent fair training procedures on three ML tasks that are susceptible to algorithmic bias.

Recent work has shown deep learning can accelerate the prediction of physical dynamics relative to numerical solvers. However, limited physical accuracy and an inability to generalize under distributional shift limit its applicability to the real world. We propose to improve accuracy and generalization by incorporating symmetries into convolutional neural networks. Specifically, we employ a variety of methods each tailored to enforce a different symmetry. Our models are both theoretically and experimentally robust to distributional shift by symmetry group transformations and enjoy favorable sample complexity. We demonstrate the advantage of our approach on a variety of physical dynamics including Rayleigh–Bénard convection and real-world ocean currents and temperatures. Compare with image or text applications, our work is a significant step towards applying equivariant neural networks to high-dimensional systems with complex dynamics.

Differentiable Neural Architecture Search is one of the most popular Neural Architecture Search (NAS) methods for its search efficiency and simplicity, accomplished by jointly optimizing the model weight and architecture parameters in a weight-sharing supernet via gradient-based algorithms. At the end of the search phase, the operations with the largest architecture parameters will be selected to form the final architecture, with the implicit assumption that the values of architecture parameters reflect the operation strength. While much has been discussed about the supernet's optimization, the architecture selection process has received little attention. We provide empirical and theoretical analysis to show that the magnitude of architecture parameters does not necessarily indicate how much the operation contributes to the supernet's performance. We propose an alternative perturbation-based architecture selection that directly measures each operation's influence on the supernet. We re-evaluate several differentiable NAS methods with the proposed architecture selection and find that it is able to extract significantly improved architectures from the underlying supernets consistently. Furthermore, we find that several failure modes of DARTS can be greatly alleviated with the proposed selection method, indicating that much of the poor generalization observed in DARTS can be attributed to the failure of magnitude-based architecture selection rather …

Neural network training can easily overfit noisy labels resulting in poor generalization performance. Existing methods address this problem by (1) filtering out the noisy data and only using the clean data for training or (2) relabeling the noisy data by the model during training or by another model trained only on a clean dataset. However, the former does not leverage the features' information of wrongly-labeled data, while the latter may produce wrong pseudo-labels for some data and introduce extra noises. In this paper, we propose a smooth transition and interplay between these two strategies as a curriculum that selects training samples dynamically. In particular, we start with learning from clean data and then gradually move to learn noisy-labeled data with pseudo labels produced by a time-ensemble of the model and data augmentations. Instead of using the instantaneous loss computed at the current step, our data selection is based on the dynamics of both the loss and output consistency for each sample across historical steps and different data augmentations, resulting in more precise detection of both clean labels and correct pseudo labels. On multiple benchmarks of noisy labels, we show that our curriculum learning strategy can significantly improve the test accuracy …

Recent advances in multi-agent reinforcement learning have been largely limited in training one model from scratch for every new task. The limitation is due to the restricted model architecture related to fixed input and output dimensions. This hinders the experience accumulation and transfer of the learned agent over tasks with diverse levels of difficulty (e.g. 3 vs 3 or 5 vs 6 multi-agent games). In this paper, we make the first attempt to explore a universal multi-agent reinforcement learning pipeline, designing one single architecture to fit tasks with the requirement of different observation and action configurations. Unlike previous RNN-based models, we utilize a transformer-based model to generate a flexible policy by decoupling the policy distribution from the intertwined input observation with an importance weight measured by the merits of the self-attention mechanism. Compared to a standard transformer block, the proposed model, named as Universal Policy Decoupling Transformer (UPDeT), further relaxes the action restriction and makes the multi-agent task's decision process more explainable. UPDeT is general enough to be plugged into any multi-agent reinforcement learning pipeline and equip them with strong generalization abilities that enables the handling of multiple tasks at a time. Extensive experiments on large-scale SMAC multi-agent competitive games …

We propose Deep Autoencoding Predictive Components (DAPC) -- a self-supervised representation learning method for sequence data, based on the intuition that useful representations of sequence data should exhibit a simple structure in the latent space. We encourage this latent structure by maximizing an estimate of \emph{predictive information} of latent feature sequences, which is the mutual information between the past and future windows at each time step. In contrast to the mutual information lower bound commonly used by contrastive learning, the estimate of predictive information we adopt is exact under a Gaussian assumption. Additionally, it can be computed without negative sampling. To reduce the degeneracy of the latent space extracted by powerful encoders and keep useful information from the inputs, we regularize predictive information learning with a challenging masked reconstruction loss. We demonstrate that our method recovers the latent space of noisy dynamical systems, extracts predictive features for forecasting tasks, and improves automatic speech recognition when used to pretrain the encoder on large amounts of unlabeled data.

In this work, we investigate the positional encoding methods used in language pre-training (e.g., BERT) and identify several problems in the existing formulations. First, we show that in the absolute positional encoding, the addition operation applied on positional embeddings and word embeddings brings mixed correlations between the two heterogeneous information resources. It may bring unnecessary randomness in the attention and further limit the expressiveness of the model. Second, we question whether treating the position of the symbol \texttt{[CLS]} the same as other words is a reasonable design, considering its special role (the representation of the entire sentence) in the downstream tasks. Motivated from above analysis, we propose a new positional encoding method called \textbf{T}ransformer with \textbf{U}ntied \textbf{P}ositional \textbf{E}ncoding (TUPE). In the self-attention module, TUPE computes the word contextual correlation and positional correlation separately with different parameterizations and then adds them together. This design removes the mixed and noisy correlations over heterogeneous embeddings and offers more expressiveness by using different projection matrices. Furthermore, TUPE unties the \texttt{[CLS]} symbol from other positions, making it easier to capture information from all positions. Extensive experiments and ablation studies on GLUE benchmark demonstrate the effectiveness of the proposed method. Codes and models are released at …

Simulated virtual environments serve as one of the main driving forces behind developing and evaluating skill learning algorithms. However, existing environments typically only simulate rigid body physics. Additionally, the simulation process usually does not provide gradients that might be useful for planning and control optimizations. We introduce a new differentiable physics benchmark called PasticineLab, which includes a diverse collection of soft body manipulation tasks. In each task, the agent uses manipulators to deform the plasticine into a desired configuration. The underlying physics engine supports differentiable elastic and plastic deformation using the DiffTaichi system, posing many under-explored challenges to robotic agents. We evaluate several existing reinforcement learning (RL) methods and gradient-based methods on this benchmark. Experimental results suggest that 1) RL-based approaches struggle to solve most of the tasks efficiently; 2) gradient-based approaches, by optimizing open-loop control sequences with the built-in differentiable physics engine, can rapidly find a solution within tens of iterations, but still fall short on multi-stage tasks that require long-term planning. We expect that PlasticineLab will encourage the development of novel algorithms that combine differentiable physics and RL for more complex physics-based skill learning tasks. PlasticineLab will be made publicly available.

Offline reinforcement learning seeks to utilize offline (observational) data to guide the learning of (causal) sequential decision making strategies. The hope is that offline reinforcement learning coupled with function approximation methods (to deal with the curse of dimensionality) can provide a means to help alleviate the excessive sample complexity burden in modern sequential decision making problems. However, the extent to which this broader approach can be effective is not well understood, where the literature largely consists of sufficient conditions.

This work focuses on the basic question of what are necessary representational and distributional conditions that permit provable sample-efficient offline reinforcement learning. Perhaps surprisingly, our main result shows that even if: i) we have realizability in that the true value function of \emph{every} policy is linear in a given set of features and 2) our off-policy data has good coverage over all features (under a strong spectral condition), any algorithm still (information-theoretically) requires a number of offline samples that is exponential in the problem horizon to non-trivially estimate the value of \emph{any} given policy. Our results highlight that sample-efficient offline policy evaluation is not possible unless significantly stronger conditions hold; such conditions include either having low distribution shift (where the offline …

Model Agnostic Meta-Learning (MAML) has emerged as a standard framework for meta-learning, where a meta-model is learned with the ability of fast adapting to new tasks. However, as a double-looped optimization problem, MAML needs to differentiate through the whole inner-loop optimization path for every outer-loop training step, which may lead to both computational inefficiency and sub-optimal solutions. In this paper, we generalize MAML to allow meta-learning to be defined in function spaces, and propose the first meta-learning paradigm in the Reproducing Kernel Hilbert Space (RKHS) induced by the meta-model's Neural Tangent Kernel (NTK). Within this paradigm, we introduce two meta-learning algorithms in the RKHS, which no longer need a sub-optimal iterative inner-loop adaptation as in the MAML framework. We achieve this goal by 1) replacing the adaptation with a fast-adaptive regularizer in the RKHS; and 2) solving the adaptation analytically based on the NTK theory. Extensive experimental studies demonstrate advantages of our paradigm in both efficiency and quality of solutions compared to related meta-learning algorithms. Another interesting feature of our proposed methods is that they are demonstrated to be more robust to adversarial attacks and out-of-distribution adaptation than popular baselines, as demonstrated in our experiments.

The goal of continual learning (CL) is to learn a sequence of tasks without suffering from the phenomenon of catastrophic forgetting. Previous work has shown that leveraging memory in the form of a replay buffer can reduce performance degradation on prior tasks. We hypothesize that forgetting can be further reduced when the model is encouraged to remember the \textit{evidence} for previously made decisions. As a first step towards exploring this hypothesis, we propose a simple novel training paradigm, called Remembering for the Right Reasons (RRR), that additionally stores visual model explanations for each example in the buffer and ensures the model has ``the right reasons'' for its predictions by encouraging its explanations to remain consistent with those used to make decisions at training time. Without this constraint, there is a drift in explanations and increase in forgetting as conventional continual learning algorithms learn new tasks. We demonstrate how RRR can be easily added to any memory or regularization-based approach and results in reduced forgetting, and more importantly, improved model explanations. We have evaluated our approach in the standard and few-shot settings and observed a consistent improvement across various CL approaches using different architectures and techniques to generate model explanations and …

We provide a general self-attention formulation to impose group equivariance to arbitrary symmetry groups. This is achieved by defining positional encodings that are invariant to the action of the group considered. Since the group acts on the positional encoding directly, group equivariant self-attention networks (GSA-Nets) are steerable by nature. Our experiments on vision benchmarks demonstrate consistent improvements of GSA-Nets over non-equivariant self-attention networks.

Training neural networks with auxiliary tasks is a common practice for improving the performance on a main task of interest. Two main challenges arise in this multi-task learning setting: (i) designing useful auxiliary tasks; and (ii) combining auxiliary tasks into a single coherent loss. Here, we propose a novel framework, AuxiLearn, that targets both challenges based on implicit differentiation. First, when useful auxiliaries are known, we propose learning a network that combines all losses into a single coherent objective function. This network can learn non-linear interactions between tasks. Second, when no useful auxiliary task is known, we describe how to learn a network that generates a meaningful, novel auxiliary task. We evaluate AuxiLearn in a series of tasks and domains, including image segmentation and learning with attributes in the low data regime, and find that it consistently outperforms competing methods.

In goal-conditioned Hierarchical Reinforcement Learning (HRL), a high-level policy periodically sets subgoals for a low-level policy, and the low-level policy is trained to reach those subgoals. A proper subgoal representation function, which abstracts a state space to a latent subgoal space, is crucial for effective goal-conditioned HRL, since different low-level behaviors are induced by reaching subgoals in the compressed representation space. Observing that the high-level agent operates at an abstract temporal scale, we propose a slowness objective to effectively learn the subgoal representation (i.e., the high-level action space). We provide a theoretical grounding for the slowness objective. That is, selecting slow features as the subgoal space can achieve efficient hierarchical exploration. As a result of better exploration ability, our approach significantly outperforms state-of-the-art HRL and exploration methods on a number of benchmark continuous-control tasks. Thanks to the generality of the proposed subgoal representation learning method, empirical results also demonstrate that the learned representation and corresponding low-level policies can be transferred between distinct tasks.

We propose methods to strengthen the invariance properties of representations obtained by contrastive learning. While existing approaches implicitly induce a degree of invariance as representations are learned, we look to more directly enforce invariance in the encoding process. To this end, we first introduce a training objective for contrastive learning that uses a novel regularizer to control how the representation changes under transformation. We show that representations trained with this objective perform better on downstream tasks and are more robust to the introduction of nuisance transformations at test time. Second, we propose a change to how test time representations are generated by introducing a feature averaging approach that combines encodings from multiple transformations of the original input, finding that this leads to across the board performance gains. Finally, we introduce the novel Spirograph dataset to explore our ideas in the context of a differentiable generative process with multiple downstream tasks, showing that our techniques for learning invariance are highly beneficial.

We present the group equivariant conditional neural process (EquivCNP), a meta-learning method with permutation invariance in a data set as in conventional conditional neural processes (CNPs), and it also has transformation equivariance in data space. Incorporating group equivariance, such as rotation and scaling equivariance, provides a way to consider the symmetry of real-world data. We give a decomposition theorem for permutation-invariant and group-equivariant maps, which leads us to construct EquivCNPs with an infinite-dimensional latent space to handle group symmetries. In this paper, we build architecture using Lie group convolutional layers for practical implementation. We show that EquivCNP with translation equivariance achieves comparable performance to conventional CNPs in a 1D regression task. Moreover, we demonstrate that incorporating an appropriate Lie group equivariance, EquivCNP is capable of zero-shot generalization for an image-completion task by selecting an appropriate Lie group equivariance.

The label shift problem refers to the supervised learning setting where the train and test label distributions do not match. Existing work addressing label shift usually assumes access to an unlabelled test sample. This sample may be used to estimate the test label distribution, and to then train a suitably re-weighted classifier. While approaches using this idea have proven effective, their scope is limited as it is not always feasible to access the target domain; further, they require repeated retraining if the model is to be deployed in multiple test environments. Can one instead learn a single classifier that is robust to arbitrary label shifts from a broad family? In this paper, we answer this question by proposing a model that minimises an objective based on distributionally robust optimisation (DRO). We then design and analyse a gradient descent-proximal mirror ascent algorithm tailored for large-scale problems to optimise the proposed objective. Finally, through experiments on CIFAR-100 and ImageNet, we show that our technique can significantly improve performance over a number of baselines in settings where label shift is present.

Differentiable rendering has paved the way to training neural networks to perform “inverse graphics” tasks such as predicting 3D geometry from monocular photographs. To train high performing models, most of the current approaches rely on multi-view imagery which are not readily available in practice. Recent Generative Adversarial Networks (GANs) that synthesize images, in contrast, seem to acquire 3D knowledge implicitly during training: object viewpoints can be manipulated by simply manipulating the latent codes. However, these latent codes often lack further physical interpretation and thus GANs cannot easily be inverted to perform explicit 3D reasoning. In this paper, we aim to extract and disentangle 3D knowledge learned by generative models by utilizing differentiable renderers. Key to our approach is to exploit GANs as a multi-view data generator to train an inverse graphics network using an off-the-shelf differentiable renderer, and the trained inverse graphics network as a teacher to disentangle the GAN's latent code into interpretable 3D properties. The entire architecture is trained iteratively using cycle consistency losses. We show that our approach significantly outperforms state-of-the-art inverse graphics networks trained on existing datasets, both quantitatively and via user studies. We further showcase the disentangled GAN as a controllable 3D “neural renderer", complementing …

Training with soft targets instead of hard targets has been shown to improve performance and calibration of deep neural networks. Label smoothing is a popular way of computing soft targets, where one-hot encoding of a class is smoothed with a uniform distribution. Owing to its simplicity, label smoothing has found wide-spread use for training deep neural networks on a wide variety of tasks, ranging from image and text classification to machine translation and semantic parsing. Complementing recent empirical justification for label smoothing, we obtain PAC-Bayesian generalization bounds for label smoothing and show that the generalization error depends on the choice of the noise (smoothing) distribution. Then we propose low-rank adaptive label smoothing (LORAS): a simple yet novel method for training with learned soft targets that generalizes label smoothing and adapts to the latent structure of the label space in structured prediction tasks. Specifically, we evaluate our method on semantic parsing tasks and show that training with appropriately smoothed soft targets can significantly improve accuracy and model calibration, especially in low-resource settings. Used in conjunction with pre-trained sequence-to-sequence models, our method achieves state of the art performance on four semantic parsing data sets. LORAS can be used with any model, improves …

A recent line of work in the machine learning community addresses the problem of predicting high-dimensional spatiotemporal phenomena by leveraging specific tools from the differential equations theory. Following this direction, we propose in this article a novel and general paradigm for this task based on a resolution method for partial differential equations: the separation of variables. This inspiration allows us to introduce a dynamical interpretation of spatiotemporal disentanglement. It induces a principled model based on learning disentangled spatial and temporal representations of a phenomenon to accurately predict future observations. We experimentally demonstrate the performance and broad applicability of our method against prior state-of-the-art models on physical and synthetic video datasets.

This paper presents Prototypical Contrastive Learning (PCL), an unsupervised representation learning method that bridges contrastive learning with clustering. PCL not only learns low-level features for the task of instance discrimination, but more importantly, it implicitly encodes semantic structures of the data into the learned embedding space. Specifically, we introduce prototypes as latent variables to help find the maximum-likelihood estimation of the network parameters in an Expectation-Maximization framework. We iteratively perform E-step as finding the distribution of prototypes via clustering and M-step as optimizing the network via contrastive learning. We propose ProtoNCE loss, a generalized version of the InfoNCE loss for contrastive learning, which encourages representations to be closer to their assigned prototypes. PCL outperforms state-of-the-art instance-wise contrastive learning methods on multiple benchmarks with substantial improvement in low-resource transfer learning. Code and pretrained models are available at https://github.com/salesforce/PCL.

The design of deep graph models still remains to be investigated and the crucial part is how to explore and exploit the knowledge from different hops of neighbors in an efficient way. In this paper, we propose a novel RNN-like deep graph neural network architecture by incorporating AdaBoost into the computation of network; and the proposed graph convolutional network called AdaGCN~(Adaboosting Graph Convolutional Network) has the ability to efficiently extract knowledge from high-order neighbors of current nodes and then integrates knowledge from different hops of neighbors into the network in an Adaboost way. Different from other graph neural networks that directly stack many graph convolution layers, AdaGCN shares the same base neural network architecture among all ``layers'' and is recursively optimized, which is similar to an RNN. Besides, We also theoretically established the connection between AdaGCN and existing graph convolutional methods, presenting the benefits of our proposal. Finally, extensive experiments demonstrate the consistent state-of-the-art prediction performance on graphs across different label rates and the computational advantage of our approach AdaGCN~\footnote{Code is available at \url{https://github.com/datake/AdaGCN}.}.

Knowing how the effects of directed actions generalise to new situations (e.g. moving North, South, East and West, or turning left, right, etc.) is key to rapid generalisation across new situations. Markovian tasks can be characterised by a state space and a transition matrix and recent work has proposed that neural grid codes provide an efficient representation of the state space, as eigenvectors of a transition matrix reflecting diffusion across states, that allows efficient prediction of future state distributions. Here we extend the eigenbasis prediction model, utilising tools from Fourier analysis, to prediction over arbitrary translation-invariant directed transition structures (i.e. displacement and diffusion), showing that a single set of eigenvectors can support predictions over arbitrary directed actions via action-specific eigenvalues. We show how to define a "sense of direction" to combine actions to reach a target state (ignoring task-specific deviations from translation-invariance), and demonstrate that adding the Fourier representations to a deep Q network aids policy learning in continuous control tasks. We show the equivalence between the generalised prediction framework and traditional models of grid cell firing driven by self-motion to perform path integration, either using oscillatory interference (via Fourier components as velocity-controlled oscillators) or continuous attractor networks (via analysis …

Fast and stable fluid simulations are an essential prerequisite for applications ranging from computer-generated imagery to computer-aided design in research and development. However, solving the partial differential equations of incompressible fluids is a challenging task and traditional numerical approximation schemes come at high computational costs. Recent deep learning based approaches promise vast speed-ups but do not generalize to new fluid domains, require fluid simulation data for training, or rely on complex pipelines that outsource major parts of the fluid simulation to traditional methods.

In this work, we propose a novel physics-constrained training approach that generalizes to new fluid domains, requires no fluid simulation data, and allows convolutional neural networks to map a fluid state from time-point t to a subsequent state at time t+dt in a single forward pass. This simplifies the pipeline to train and evaluate neural fluid models. After training, the framework yields models that are capable of fast fluid simulations and can handle various fluid phenomena including the Magnus effect and Kármán vortex streets. We present an interactive real-time demo to show the speed and generalization capabilities of our trained models. Moreover, the trained neural networks are efficient differentiable fluid solvers as they offer a differentiable update …

Most supervised machine learning tasks are subject to irreducible prediction errors. Probabilistic predictive models address this limitation by providing probability distributions that represent a belief over plausible targets, rather than point estimates. Such models can be a valuable tool in decision-making under uncertainty, provided that the model output is meaningful and interpretable. Calibrated models guarantee that the probabilistic predictions are neither over- nor under-confident. In the machine learning literature, different measures and statistical tests have been proposed and studied for evaluating the calibration of classification models. For regression problems, however, research has been focused on a weaker condition of calibration based on predicted quantiles for real-valued targets. In this paper, we propose the first framework that unifies calibration evaluation and tests for general probabilistic predictive models. It applies to any such model, including classification and regression models of arbitrary dimension. Furthermore, the framework generalizes existing measures and provides a more intuitive reformulation of a recently proposed framework for calibration in multi-class classification. In particular, we reformulate and generalize the kernel calibration error, its estimators, and hypothesis tests using scalar-valued kernels, and evaluate the calibration of real-valued regression problems.

Safe and reliable electricity transmission in power grids is crucial for modern society. It is thus quite natural that there has been a growing interest in the automatic management of power grids, exemplified by the Learning to Run a Power Network Challenge (L2RPN), modeling the problem as a reinforcement learning (RL) task. However, it is highly challenging to manage a real-world scale power grid, mostly due to the massive scale of its state and action space. In this paper, we present an off-policy actor-critic approach that effectively tackles the unique challenges in power grid management by RL, adopting the hierarchical policy together with the afterstate representation. Our agent ranked first in the latest challenge (L2RPN WCCI 2020), being able to avoid disastrous situations while maintaining the highest level of operational efficiency in every test scenarios. This paper provides a formal description of the algorithmic aspect of our approach, as well as further experimental studies on diverse power grids.

Gradient estimation in models with discrete latent variables is a challenging problem, because the simplest unbiased estimators tend to have high variance. To counteract this, modern estimators either introduce bias, rely on multiple function evaluations, or use learned, input-dependent baselines. Thus, there is a need for estimators that require minimal tuning, are computationally cheap, and have low mean squared error. In this paper, we show that the variance of the straight-through variant of the popular Gumbel-Softmax estimator can be reduced through Rao-Blackwellization without increasing the number of function evaluations. This provably reduces the mean squared error. We empirically demonstrate that this leads to variance reduction, faster convergence, and generally improved performance in two unsupervised latent variable models.

In this paper we analyse and improve integer discrete flows for lossless compression. Integer discrete flows are a recently proposed class of models that learn invertible transformations for integer-valued random variables. Their discrete nature makes them particularly suitable for lossless compression with entropy coding schemes. We start by investigating a recent theoretical claim that states that invertible flows for discrete random variables are less flexible than their continuous counterparts. We demonstrate with a proof that this claim does not hold for integer discrete flows due to the embedding of data with finite support into the countably infinite integer lattice. Furthermore, we zoom in on the effect of gradient bias due to the straight-through estimator in integer discrete flows, and demonstrate that its influence is highly dependent on architecture choices and less prominent than previously thought. Finally, we show how different architecture modifications improve the performance of this model class for lossless compression, and that they also enable more efficient compression: a model with half the number of flow layers performs on par with or better than the original integer discrete flow model.

In recent deep image compression neural networks, the entropy model plays a critical role in estimating the prior distribution of deep image encodings. Existing methods combine hyperprior with local context in the entropy estimation function. This greatly limits their performance due to the absence of a global vision. In this work, we propose a novel Global Reference Model for image compression to effectively leverage both the local and the global context information, leading to an enhanced compression rate. The proposed method scans decoded latents and then finds the most relevant latent to assist the distribution estimating of the current latent. A by-product of this work is the innovation of a mean-shifting GDN module that further improves the performance. Experimental results demonstrate that the proposed model outperforms the rate-distortion performance of most of the state-of-the-art methods in the industry.

Normalization techniques have proved to be a crucial ingredient of successful training in a traditional supervised learning regime. However, in the zero-shot learning (ZSL) world, these ideas have received only marginal attention. This work studies normalization in ZSL scenario from both theoretical and practical perspectives. First, we give a theoretical explanation to two popular tricks used in zero-shot learning: normalize+scale and attributes normalization and show that they help training by preserving variance during a forward pass. Next, we demonstrate that they are insufficient to normalize a deep ZSL model and propose Class Normalization (CN): a normalization scheme, which alleviates this issue both provably and in practice. Third, we show that ZSL models typically have more irregular loss surface compared to traditional classifiers and that the proposed method partially remedies this problem. Then, we test our approach on 4 standard ZSL datasets and outperform sophisticated modern SotA with a simple MLP optimized without any bells and whistles and having ~50 times faster training speed. Finally, we generalize ZSL to a broader problem — continual ZSL, and introduce some principled metrics and rigorous baselines for this new setup. The source code is available at https://github.com/universome/class-norm.

We present Mixture of Contrastive Experts (MiCE), a unified probabilistic clustering framework that simultaneously exploits the discriminative representations learned by contrastive learning and the semantic structures captured by a latent mixture model. Motivated by the mixture of experts, MiCE employs a gating function to partition an unlabeled dataset into subsets according to the latent semantics and multiple experts to discriminate distinct subsets of instances assigned to them in a contrastive learning manner. To solve the nontrivial inference and learning problems caused by the latent variables, we further develop a scalable variant of the Expectation-Maximization (EM) algorithm for MiCE and provide proof of the convergence. Empirically, we evaluate the clustering performance of MiCE on four widely adopted natural image datasets. MiCE achieves significantly better results than various previous methods and a strong contrastive learning baseline.

Lifting is an efficient technique to scale up graphical models generalized to relational domains by exploiting the underlying symmetries. Concurrently, neural models are continuously expanding from grid-like tensor data into structured representations, such as various attributed graphs and relational databases. To address the irregular structure of the data, the models typically extrapolate on the idea of convolution, effectively introducing parameter sharing in their, dynamically unfolded, computation graphs. The computation graphs themselves then reflect the symmetries of the underlying data, similarly to the lifted graphical models. Inspired by lifting, we introduce a simple and efficient technique to detect the symmetries and compress the neural models without loss of any information. We demonstrate through experiments that such compression can lead to significant speedups of structured convolutional models, such as various Graph Neural Networks, across various tasks, such as molecule classification and knowledge-base completion.

Deep object recognition models have been very successful over benchmark datasets such as ImageNet. How accurate and robust are they to distribution shifts arising from natural and synthetic variations in datasets? Prior research on this problem has primarily focused on ImageNet variations (e.g., ImageNetV2, ImageNet-A). To avoid potential inherited biases in these studies, we take a different approach. Specifically, we reanalyze the ObjectNet dataset recently proposed by Barbu et al. containing objects in daily life situations. They showed a dramatic performance drop of the state of the art object recognition models on this dataset. Due to the importance and implications of their results regarding the generalization ability of deep models, we take a second look at their analysis. We find that applying deep models to the isolated objects, rather than the entire scene as is done in the original paper, results in around 20-30% performance improvement. Relative to the numbers reported in Barbu et al., around 10-15% of the performance loss is recovered, without any test time data augmentation. Despite this gain, however, we conclude that deep models still suffer drastically on the ObjectNet dataset. We also investigate the robustness of models against synthetic image perturbations such as geometric transformations …

Deep neural networks (DNN) have set new standards at predicting responses of neural populations to visual input. Most such DNNs consist of a convolutional network (core) shared across all neurons which learns a representation of neural computation in visual cortex and a neuron-specific readout that linearly combines the relevant features in this representation. The goal of this paper is to test whether such a representation is indeed generally characteristic for visual cortex, i.e. generalizes between animals of a species, and what factors contribute to obtaining such a generalizing core. To push all non-linear computations into the core where the generalizing cortical features should be learned, we devise a novel readout that reduces the number of parameters per neuron in the readout by up to two orders of magnitude compared to the previous state-of-the-art. It does so by taking advantage of retinotopy and learns a Gaussian distribution over the neuron’s receptive field position. With this new readout we train our network on neural responses from mouse primary visual cortex (V1) and obtain a gain in performance of 7% compared to the previous state-of-the-art network. We then investigate whether the convolutional core indeed captures general cortical features by using the core in …

Current approaches for uncertainty estimation in deep learning often produce too confident results. Bayesian Neural Networks (BNNs) model uncertainty in the space of weights, which is usually high-dimensional and limits the quality of variational approximations. The more recent functional BNNs (fBNNs) address this only partially because, although the prior is specified in the space of functions, the posterior approximation is still defined in terms of stochastic weights. In this work we propose to move uncertainty from the weights (which are deterministic) to the activation function. Specifically, the activations are modelled with simple 1D Gaussian Processes (GP), for which a triangular kernel inspired by the ReLu non-linearity is explored. Our experiments show that activation-level stochasticity provides more reliable uncertainty estimates than BNN and fBNN, whereas it performs competitively in standard prediction tasks. We also study the connection with deep GPs, both theoretically and empirically. More precisely, we show that activation-level uncertainty requires fewer inducing points and is better suited for deep architectures.

Tight and efficient neural network bounding is of critical importance for the scaling of neural network verification systems. A number of efficient specialised dual solvers for neural network bounds have been presented recently, but they are often too loose to verify more challenging properties. This lack of tightness is linked to the weakness of the employed relaxation, which is usually a linear program of size linear in the number of neurons. While a tighter linear relaxation for piecewise linear activations exists, it comes at the cost of exponentially many constraints and thus currently lacks an efficient customised solver. We alleviate this deficiency via a novel dual algorithm that realises the full potential of the new relaxation by operating on a small active set of dual variables. Our method recovers the strengths of the new relaxation in the dual space: tightness and a linear separation oracle. At the same time, it shares the benefits of previous dual approaches for weaker relaxations: massive parallelism, GPU implementation, low cost per iteration and valid bounds at any time. As a consequence, we obtain better bounds than off-the-shelf solvers in only a fraction of their running time and recover the speed-accuracy trade-offs of looser dual …

Formulating scalable probabilistic regression models with reliable uncertainty estimates has been a long-standing challenge in machine learning research. Recently, casting probabilistic regression as a multi-task learning problem in terms of conditional latent variable (CLV) models such as the Neural Process (NP) has shown promising results. In this paper, we focus on context aggregation, a central component of such architectures, which fuses information from multiple context data points. So far, this aggregation operation has been treated separately from the inference of a latent representation of the target function in CLV models. Our key contribution is to combine these steps into one holistic mechanism by phrasing context aggregation as a Bayesian inference problem. The resulting Bayesian Aggregation (BA) mechanism enables principled handling of task ambiguity, which is key for efficiently processing context information. We demonstrate on a range of challenging experiments that BA consistently improves upon the performance of traditional mean aggregation while remaining computationally efficient and fully compatible with existing NP-based models.

We propose the task of \emph{disambiguating} symbolic expressions in informal STEM documents in the form of \LaTeX files -- that is, determining their precise semantics and abstract syntax tree -- as a neural machine translation task. We discuss the distinct challenges involved and present a dataset with roughly 33,000 entries. We evaluated several baseline models on this dataset, which failed to yield even syntactically valid \LaTeX before overfitting. Consequently, we describe a methodology using a \emph{transformer} language model pre-trained on sources obtained from \url{arxiv.org}, which yields promising results despite the small size of the dataset. We evaluate our model using a plurality of dedicated techniques, taking syntax and semantics of symbolic expressions into account.

We contribute to micro-data model-based reinforcement learning (MBRL) by rigorously comparing popular generative models using a fixed (random shooting) control agent. We find that on an environment that requires multimodal posterior predictives, mixture density nets outperform all other models by a large margin. When multimodality is not required, our surprising finding is that we do not need probabilistic posterior predictives: deterministic models are on par, in fact they consistently (although non-significantly) outperform their probabilistic counterparts. We also found that heteroscedasticity at training time, perhaps acting as a regularizer, improves predictions at longer horizons. At the methodological side, we design metrics and an experimental protocol which can be used to evaluate the various models, predicting their asymptotic performance when using them on the control problem. Using this framework, we improve the state-of-the-art sample complexity of MBRL on Acrobot by two to four folds, using an aggressive training schedule which is outside of the hyperparameter interval usually considered.

We introduce the Generalized Energy Based Model (GEBM) for generative modelling. These models combine two trained components: a base distribution (generally an implicit model), which can learn the support of data with low intrinsic dimension in a high dimensional space; and an energy function, to refine the probability mass on the learned support. Both the energy function and base jointly constitute the final model, unlike GANs, which retain only the base distribution (the "generator").
GEBMs are trained by alternating between learning the energy and the base. We show that both training stages are well-defined: the energy is learned by maximising a generalized likelihood, and the resulting energy-based loss provides informative gradients for learning the base. Samples from the posterior on the latent space of the trained model can be obtained via MCMC, thus finding regions in this space that produce better quality samples. Empirically, the GEBM samples on image-generation tasks are of much better quality than those from the learned generator alone, indicating that all else being equal, the GEBM will outperform a GAN of the same complexity. When using normalizing flows as base measures, GEBMs succeed on density modelling tasks returning comparable performance to direct maximum likelihood of the …

Federated learning (FL) allows edge devices to collectively learn a model without directly sharing data within each device, thus preserving privacy and eliminating the need to store data globally. While there are promising results under the assumption of independent and identically distributed (iid) local data, current state-of-the-art algorithms suffer a performance degradation as the heterogeneity of local data across clients increases. To resolve this issue, we propose a simple framework, \emph{Mean Augmented Federated Learning (MAFL)}, where clients send and receive \emph{averaged} local data, subject to the privacy requirements of target applications. Under our framework, we propose a new augmentation algorithm, named \emph{FedMix}, which is inspired by a phenomenal yet simple data augmentation method, Mixup, but does not require local raw data to be directly shared among devices. Our method shows greatly improved performance in the standard benchmark datasets of FL, under highly non-iid federated settings, compared to conventional algorithms.

Graph neural networks have been widely used on modeling graph data, achieving impressive results on node classification and link prediction tasks. Yet, obtaining an accurate representation for a graph further requires a pooling function that maps a set of node representations into a compact form. A simple sum or average over all node representations considers all node features equally without consideration of their task relevance, and any structural dependencies among them. Recently proposed hierarchical graph pooling methods, on the other hand, may yield the same representation for two different graphs that are distinguished by the Weisfeiler-Lehman test, as they suboptimally preserve information from the node features. To tackle these limitations of existing graph pooling methods, we first formulate the graph pooling problem as a multiset encoding problem with auxiliary information about the graph structure, and propose a Graph Multiset Transformer (GMT) which is a multi-head attention based global pooling layer that captures the interaction between nodes according to their structural dependencies. We show that GMT satisfies both injectiveness and permutation invariance, such that it is at most as powerful as the Weisfeiler-Lehman graph isomorphism test. Moreover, our methods can be easily extended to the previous node clustering approaches for hierarchical …

When a missing process depends on the missing values themselves, it needs to be explicitly modelled and taken into account while doing likelihood-based inference. We present an approach for building and fitting deep latent variable models (DLVMs) in cases where the missing process is dependent on the missing data. Specifically, a deep neural network enables us to flexibly model the conditional distribution of the missingness pattern given the data. This allows for incorporating prior information about the type of missingness (e.g.~self-censoring) into the model. Our inference technique, based on importance-weighted variational inference, involves maximising a lower bound of the joint likelihood. Stochastic gradients of the bound are obtained by using the reparameterisation trick both in latent space and data space. We show on various kinds of data sets and missingness patterns that explicitly modelling the missing process can be invaluable.

As a step towards improving the abstract reasoning capability of machines, we aim to solve Raven’s Progressive Matrices (RPM) with neural networks, since solving RPM puzzles is highly correlated with human intelligence. Unlike previous methods that use auxiliary annotations or assume hidden rules to produce appropriate feature representation, we only use the ground truth answer of each question for model learning, aiming for an intelligent agent to have a strong learning capability with a small amount of supervision. Based on the RPM problem formulation, the correct answer filled into the missing entry of the third row/column has to best satisfy the same rules shared between the first two rows/columns.Thus we design a simple yet effective Dual-Contrast Network (DCNet) to exploit the inherent structure of RPM puzzles. Specifically, a rule contrast module is designed to compare the latent rules between the filled row/column and the first two rows/columns; a choice contrast module is designed to increase the relative differences between candidate choices. Experimental results on the RAVEN and PGM datasets show that DCNet outperforms the state-of-the-art methods by a large margin of 5.77%. Further experiments on few training samples and model generalization also show the effectiveness of DCNet. Code is available …

We address the problem of learning on sets of features, motivated by the need of performing pooling operations in long biological sequences of varying sizes, with long-range dependencies, and possibly few labeled data. To address this challenging task, we introduce a parametrized representation of fixed size, which embeds and then aggregates elements from a given input set according to the optimal transport plan between the set and a trainable reference. Our approach scales to large datasets and allows end-to-end training of the reference, while also providing a simple unsupervised learning mechanism with small computational cost. Our aggregation technique admits two useful interpretations: it may be seen as a mechanism related to attention layers in neural networks, or it may be seen as a scalable surrogate of a classical optimal transport-based kernel. We experimentally demonstrate the effectiveness of our approach on biological sequences, achieving state-of-the-art results for protein fold recognition and detection of chromatin profiles tasks, and, as a proof of concept, we show promising results for processing natural language sequences. We provide an open-source implementation of our embedding that can be used alone or as a module in larger learning models at https://github.com/claying/OTK.

Natural images are projections of 3D objects on a 2D image plane. While state-of-the-art 2D generative models like GANs show unprecedented quality in modeling the natural image manifold, it is unclear whether they implicitly capture the underlying 3D object structures. And if so, how could we exploit such knowledge to recover the 3D shapes of objects in the images? To answer these questions, in this work, we present the first attempt to directly mine 3D geometric cues from an off-the-shelf 2D GAN that is trained on RGB images only. Through our investigation, we found that such a pre-trained GAN indeed contains rich 3D knowledge and thus can be used to recover 3D shape from a single 2D image in an unsupervised manner. The core of our framework is an iterative strategy that explores and exploits diverse viewpoint and lighting variations in the GAN image manifold. The framework does not require 2D keypoint or 3D annotations, or strong assumptions on object shapes (e.g. shapes are symmetric), yet it successfully recovers 3D shapes with high precision for human faces, cats, cars, and buildings. The recovered 3D shapes immediately allow high-quality image editing like relighting and object rotation. We quantitatively demonstrate the effectiveness …

The embeddings from CNNs pretrained on Imagenet classification are de-facto standard image representations for assessing GANs via FID, Precision and Recall measures. Despite broad previous criticism of their usage for non-Imagenet domains, these embeddings are still the top choice in most of the GAN literature.

In this paper, we advocate the usage of the state-of-the-art self-supervised representations to evaluate GANs on the established non-Imagenet benchmarks. These representations, typically obtained via contrastive learning, are shown to provide better transfer to new tasks and domains, therefore, can serve as more universal embeddings of natural images. With extensive comparison of the recent GANs on the common datasets, we show that self-supervised representations produce a more reasonable ranking of models in terms of FID/Precision/Recall, while the ranking with classification-pretrained embeddings often can be misleading.

Training Reinforcement Learning (RL) agents in high-stakes applications might be too prohibitive due to the risk associated to exploration. Thus, the agent can only use data previously collected by safe policies. While previous work considers optimizing the average performance using offline data, we focus on optimizing a risk-averse criteria, namely the CVaR. In particular, we present the Offline Risk-Averse Actor-Critic (O-RAAC), a model-free RL algorithm that is able to learn risk-averse policies in a fully offline setting. We show that O-RAAC learns policies with higher CVaR than risk-neutral approaches in different robot control tasks. Furthermore, considering risk-averse criteria guarantees distributional robustness of the average performance with respect to particular distribution shifts. We demonstrate empirically that in the presence of natural distribution-shifts, O-RAAC learns policies with good average performance.

Hyperbolic spaces, which have the capacity to embed tree structures without distortion owing to their exponential volume growth, have recently been applied to machine learning to better capture the hierarchical nature of data. In this study, we generalize the fundamental components of neural networks in a single hyperbolic geometry model, namely, the Poincaré ball model. This novel methodology constructs a multinomial logistic regression, fully-connected layers, convolutional layers, and attention mechanisms under a unified mathematical interpretation, without increasing the parameters. Experiments show the superior parameter efficiency of our methods compared to conventional hyperbolic components, and stability and outperformance over their Euclidean counterparts.

A main theoretical interest in biology and physics is to identify the nonlinear dynamical system (DS) that generated observed time series. Recurrent Neural Networks (RNN) are, in principle, powerful enough to approximate any underlying DS, but in their vanilla form suffer from the exploding vs. vanishing gradients problem. Previous attempts to alleviate this problem resulted either in more complicated, mathematically less tractable RNN architectures, or strongly limited the dynamical expressiveness of the RNN. Here we address this issue by suggesting a simple regularization scheme for vanilla RNN with ReLU activation which enables them to solve long-range dependency problems and express slow time scales, while retaining a simple mathematical structure which makes their DS properties partly analytically accessible. We prove two theorems that establish a tight connection between the regularized RNN dynamics and their gradients, illustrate on DS benchmarks that our regularization approach strongly eases the reconstruction of DS which harbor widely differing time scales, and show that our method is also en par with other long-range architectures like LSTMs on several tasks.

Sequence-to-sequence (seq2seq) learners are widely used, but we still have only limited knowledge about what inductive biases shape the way they generalize. We address that by investigating how popular seq2seq learners generalize in tasks that have high ambiguity in the training data. We use four new tasks to study learners' preferences for memorization, arithmetic, hierarchical, and compositional reasoning. Further, we connect to Solomonoff's theory of induction and propose to use description length as a principled and sensitive measure of inductive biases. In our experimental study, we find that LSTM-based learners can learn to perform counting, addition, and multiplication by a constant from a single training example. Furthermore, Transformer and LSTM-based learners show a bias toward the hierarchical induction over the linear one, while CNN-based learners prefer the opposite. The latter also show a bias toward a compositional generalization over memorization. Finally, across all our experiments, description length proved to be a sensitive measure of inductive biases.

We propose a Distributional Approach for addressing Controlled Text Generation from pre-trained Language Models (LM). This approach permits to specify, in a single formal framework, both “pointwise’” and “distributional” constraints over the target LM — to our knowledge, the first model with such generality —while minimizing KL divergence from the initial LM distribution. The optimal target distribution is then uniquely determined as an explicit EBM (Energy-BasedModel) representation. From that optimal representation, we then train a target controlled Autoregressive LM through an adaptive distributional variant of PolicyGradient. We conduct a first set of experiments over pointwise constraints showing the advantages of our approach over a set of baselines, in terms of obtaining a controlled LM balancing constraint satisfaction with divergence from the pretrained LM. We then perform experiments over distributional constraints, a unique feature of our approach, demonstrating its potential as a remedy to the problem of Bias in Language Models. Through an ablation study, we show the effectiveness of our adaptive technique for obtaining faster convergence. Code available at https://github.com/naver/gdc

Several works have shown that the regularization mechanisms underlying deep neural networks' generalization performances are still poorly understood. In this paper, we hypothesize that deep neural networks are regularized through their ability to extract meaningful clusters among the samples of a class. This constitutes an implicit form of regularization, as no explicit training mechanisms or supervision target such behaviour. To support our hypothesis, we design four different measures of intraclass clustering, based on the neuron- and layer-level representations of the training data. We then show that these measures constitute accurate predictors of generalization performance across variations of a large set of hyperparameters (learning rate, batch size, optimizer, weight decay, dropout rate, data augmentation, network depth and width).

Model Agnostic Meta-Learning (MAML) is one of the most representative of gradient-based meta-learning algorithms. MAML learns new tasks with a few data samples using inner updates from a meta-initialization point and learns the meta-initialization parameters with outer updates. It has recently been hypothesized that representation reuse, which makes little change in efficient representations, is the dominant factor in the performance of the meta-initialized model through MAML in contrast to representation change, which causes a significant change in representations. In this study, we investigate the necessity of representation change for the ultimate goal of few-shot learning, which is solving domain-agnostic tasks. To this aim, we propose a novel meta-learning algorithm, called BOIL (Body Only update in Inner Loop), which updates only the body (extractor) of the model and freezes the head (classifier) during inner loop updates. BOIL leverages representation change rather than representation reuse. A frozen head cannot achieve better results than even a random guessing classifier at the initial point of new tasks, and feature vectors (representations) have to move quickly to their corresponding frozen head vectors. We visualize this property using cosine similarity, CKA, and empirical results without the head. Although the inner loop updates purely hinge on representation …

Well-designed molecular representations (fingerprints) are vital to combine medical chemistry and deep learning. Whereas incorporating 3D geometry of molecules (i.e. conformations) in their representations seems beneficial, current 3D algorithms are still in infancy. In this paper, we propose a novel molecular representation algorithm which preserves 3D conformations of molecules with a Molecular Hamiltonian Network (HamNet). In HamNet, implicit positions and momentums of atoms in a molecule interact in the Hamiltonian Engine following the discretized Hamiltonian equations. These implicit coordinations are supervised with real conformations with translation- & rotation-invariant losses, and further used as inputs to the Fingerprint Generator, a message-passing neural network. Experiments show that the Hamiltonian Engine can well preserve molecular conformations, and that the fingerprints generated by HamNet achieve state-of-the-art performances on MoleculeNet, a standard molecular machine learning benchmark.

We introduce Skip-Window, a method to allow recurrent neural networks (RNNs) to trade off accuracy for computational cost during the analysis of a sequence. Similarly to existing approaches, Skip-Window extends existing RNN cells by adding a mechanism to encourage the model to process fewer inputs. Unlike existing approaches, Skip-Window is able to respect a strict computational budget, making this model more suitable for limited hardware. We evaluate this approach on two datasets: a human activity recognition task and adding task. Our results show that Skip-Window is able to exceed the accuracy of existing approaches for a lower computational cost while strictly limiting said cost.

Multi-objective optimization (MOO) problems are prevalent in machine learning. These problems have a set of optimal solutions, called the Pareto front, where each point on the front represents a different trade-off between possibly conflicting objectives. Recent MOO methods can target a specific desired ray in loss space however, most approaches still face two grave limitations: (i) A separate model has to be trained for each point on the front; and (ii) The exact trade-off must be known before the optimization process. Here, we tackle the problem of learning the entire Pareto front, with the capability of selecting a desired operating point on the front after training. We call this new setup Pareto-Front Learning (PFL).

We describe an approach to PFL implemented using HyperNetworks, which we term Pareto HyperNetworks (PHNs). PHN learns the entire Pareto front simultaneously using a single hypernetwork, which receives as input a desired preference vector and returns a Pareto-optimal model whose loss vector is in the desired ray. The unified model is runtime efficient compared to training multiple models and generalizes to new operating points not used during training. We evaluate our method on a wide set of problems, from multi-task regression and classification to fairness. PHNs …

Pre-trained models for programming language have achieved dramatic empirical improvements on a variety of code-related tasks such as code search, code completion, code summarization, etc. However, existing pre-trained models regard a code snippet as a sequence of tokens, while ignoring the inherent structure of code, which provides crucial code semantics and would enhance the code understanding process. We present GraphCodeBERT, a pre-trained model for programming language that considers the inherent structure of code. Instead of taking syntactic-level structure of code like abstract syntax tree (AST), we use data flow in the pre-training stage, which is a semantic-level structure of code that encodes the relation of "where-the-value-comes-from" between variables. Such a semantic-level structure is neat and does not bring an unnecessarily deep hierarchy of AST, the property of which makes the model more efficient. We develop GraphCodeBERT based on Transformer. In addition to using the task of masked language modeling, we introduce two structure-aware pre-training tasks. One is to predict code structure edges, and the other is to align representations between source code and code structure. We implement the model in an efficient way with a graph-guided masked attention function to incorporate the code structure. We evaluate our model on four …

It is well-established that many iterative sparse reconstruction algorithms can be unrolled to yield a learnable neural network for improved empirical performance. A prime example is learned ISTA (LISTA) where weights, step sizes and thresholds are learned from training data. Recently, Analytic LISTA (ALISTA) has been introduced, combining the strong empirical performance of a fully learned approach like LISTA, while retaining theoretical guarantees of classical compressed sensing algorithms and significantly reducing the number of parameters to learn. However, these parameters are trained to work in expectation, often leading to suboptimal reconstruction of individual targets. In this work we therefore introduce Neurally Augmented ALISTA, in which an LSTM network is used to compute step sizes and thresholds individually for each target vector during reconstruction. This adaptive approach is theoretically motivated by revisiting the recovery guarantees of ALISTA. We show that our approach further improves empirical performance in sparse reconstruction, in particular outperforming existing algorithms by an increasing margin as the compression ratio becomes more challenging.

Few-shot classification aims to recognize unseen classes when presented with only a small number of samples. We consider the problem of multi-domain few-shot image classification, where unseen classes and examples come from diverse data sources. This problem has seen growing interest and has inspired the development of benchmarks such as Meta-Dataset. A key challenge in this multi-domain setting is to effectively integrate the feature representations from the diverse set of training domains. Here, we propose a Universal Representation Transformer (URT) layer, that meta-learns to leverage universal features for few-shot classification by dynamically re-weighting and composing the most appropriate domain-specific representations. In experiments, we show that URT sets a new state-of-the-art result on Meta-Dataset. Specifically, it achieves top-performance on the highest number of data sources compared to competing methods. We analyze variants of URT and present a visualization of the attention score heatmaps that sheds light on how the model performs cross-domain generalization.

We propose the deep repulsive clustering (DRC) algorithm of ordered data for effective order learning. First, we develop the order-identity decomposition (ORID) network to divide the information of an object instance into an order-related feature and an identity feature. Then, we group object instances into clusters according to their identity features using a repulsive term. Moreover, we estimate the rank of a test instance, by comparing it with references within the same cluster. Experimental results on facial age estimation, aesthetic score regression, and historical color image classification show that the proposed algorithm can cluster ordered data effectively and also yield excellent rank estimation performance.

How to improve generative modeling by better exploiting spatial regularities and coherence in images? We introduce a novel neural network for building image generators (decoders) and apply it to variational autoencoders (VAEs). In our spatial dependency networks (SDNs), feature maps at each level of a deep neural net are computed in a spatially coherent way, using a sequential gating-based mechanism that distributes contextual information across 2-D space. We show that augmenting the decoder of a hierarchical VAE by spatial dependency layers considerably improves density estimation over baseline convolutional architectures and the state-of-the-art among the models within the same class. Furthermore, we demonstrate that SDN can be applied to large images by synthesizing samples of high quality and coherence. In a vanilla VAE setting, we find that a powerful SDN decoder also improves learning disentangled representations, indicating that neural architectures play an important role in this task. Our results suggest favoring spatial dependency over convolutional layers in various VAE settings. The accompanying source code is given at https://github.com/djordjemila/sdn.

Convolutional neural networks (CNN) exhibit unmatched performance in a multitude of computer vision tasks. However, the advantage of using convolutional networks over fully-connected networks is not understood from a theoretical perspective. In this work, we show how convolutional networks can leverage locality in the data, and thus achieve a computational advantage over fully-connected networks. Specifically, we show a class of problems that can be efficiently solved using convolutional networks trained with gradient-descent, but at the same time is hard to learn using a polynomial-size fully-connected network.

To craft black-box adversarial examples, adversaries need to query the victim model and take proper advantage of its feedback. Existing black-box attacks generally suffer from high query complexity, especially when only the top-1 decision (i.e., the hard-label prediction) of the victim model is available. In this paper, we propose a novel hard-label black-box attack named Policy-Driven Attack, to reduce the query complexity. Our core idea is to learn promising search directions of the adversarial examples using a well-designed policy network in a novel reinforcement learning formulation, in which the queries become more sensible. Experimental results demonstrate that our method can significantly reduce the query complexity in comparison with existing state-of-the-art hard-label black-box attacks on various image classification benchmark datasets. Code and models for reproducing our results are available at https://github.com/ZiangYan/pda.pytorch

Adversarial patches pose a realistic threat model for physical world attacks on autonomous systems via their perception component. Autonomous systems in safety-critical domains such as automated driving should thus contain a fail-safe fallback component that combines certifiable robustness against patches with efficient inference while maintaining high performance on clean inputs. We propose BagCert, a novel combination of model architecture and certification procedure that allows efficient certification. We derive a loss that enables end-to-end optimization of certified robustness against patches of different sizes and locations. On CIFAR10, BagCert certifies 10.000 examples in 43 seconds on a single GPU and obtains 86% clean and 60% certified accuracy against 5x5 patches.

Interactive Fiction (IF) games provide a useful testbed for language-based reinforcement learning agents, posing significant challenges of natural language understanding, commonsense reasoning, and non-myopic planning in the combinatorial search space. Agents based on standard planning algorithms struggle to play IF games due to the massive search space of language actions. Thus, language-grounded planning is a key ability of such agents, since inferring the consequence of language action based on semantic understanding can drastically improve search. In this paper, we introduce Monte-Carlo planning with Language Action Value Estimates (MC-LAVE) that combines a Monte-Carlo tree search with language-driven exploration. MC-LAVE invests more search effort into semantically promising language actions using locally optimistic language value estimates, yielding a significant reduction in the effective search space of language actions. We then present a reinforcement learning approach via MC-LAVE, which alternates between MC-LAVE planning and supervised learning of the self-generated language actions. In the experiments, we demonstrate that our method achieves new high scores in various IF games.

Multiple data types naturally co-occur when describing real-world phenomena and learning from them is a long-standing goal in machine learning research. However, existing self-supervised generative models approximating an ELBO are not able to fulfill all desired requirements of multimodal models: their posterior approximation functions lead to a trade-off between the semantic coherence and the ability to learn the joint data distribution. We propose a new, generalized ELBO formulation for multimodal data that overcomes these limitations. The new objective encompasses two previous methods as special cases and combines their benefits without compromises. In extensive experiments, we demonstrate the advantage of the proposed method compared to state-of-the-art models in self-supervised, generative learning tasks.

Despite significant progress in challenging problems across various domains, applying state-of-the-art deep reinforcement learning (RL) algorithms remains challenging due to their sensitivity to the choice of hyperparameters. This sensitivity can partly be attributed to the non-stationarity of the RL problem, potentially requiring different hyperparameter settings at various stages of the learning process. Additionally, in the RL setting, hyperparameter optimization (HPO) requires a large number of environment interactions, hindering the transfer of the successes in RL to real-world applications. In this work, we tackle the issues of sample-efficient and dynamic HPO in RL. We propose a population-based automated RL (AutoRL) framework to meta-optimize arbitrary off-policy RL algorithms. In this framework, we optimize the hyperparameters and also the neural architecture while simultaneously training the agent. By sharing the collected experience across the population, we substantially increase the sample efficiency of the meta-optimization. We demonstrate the capabilities of our sample-efficient AutoRL approach in a case study with the popular TD3 algorithm in the MuJoCo benchmark suite, where we reduce the number of environment interactions needed for meta-optimization by up to an order of magnitude compared to population-based training.

We present a principled approach to incorporating labels in variational autoencoders (VAEs) that captures the rich characteristic information associated with those labels. While prior work has typically conflated these by learning latent variables that directly correspond to label values, we argue this is contrary to the intended effect of supervision in VAEs—capturing rich label characteristics with the latents. For example, we may want to capture the characteristics of a face that make it look young, rather than just the age of the person. To this end, we develop a novel VAE model, the characteristic capturing VAE (CCVAE), which “reparameterizes” supervision through auxiliary variables and a concomitant variational objective. Through judicious structuring of mappings between latent and auxiliary variables, we show that the CCVAE can effectively learn meaningful representations of the characteristics of interest across a variety of supervision schemes. In particular, we show that the CCVAE allows for more effective and more general interventions to be performed, such as smooth traversals within the characteristics for a given label, diverse conditional generation, and transferring characteristics across datapoints.

Byzantine-resilient Stochastic Gradient Descent (SGD) aims at shielding model training from Byzantine faults, be they ill-labeled training datapoints, exploited software/hardware vulnerabilities, or malicious worker nodes in a distributed setting. Two recent attacks have been challenging state-of-the-art defenses though, often successfully precluding the model from even fitting the training set. The main identified weakness in current defenses is their requirement of a sufficiently low variance-norm ratio for the stochastic gradients. We propose a practical method which, despite increasing the variance, reduces the variance-norm ratio, mitigating the identified weakness. We assess the effectiveness of our method over 736 different training configurations, comprising the 2 state-of-the-art attacks and 6 defenses. For confidence and reproducibility purposes, each configuration is run 5 times with specified seeds (1 to 5), totalling 3680 runs. In our experiments, when the attack is effective enough to decrease the highest observed top-1 cross-accuracy by at least 20% compared to the unattacked run, our technique systematically increases back the highest observed accuracy, and is able to recover at least 20% in more than 60% of the cases.

In this paper, we apply harmonic distortion analysis to understand the effect of nonlinearities in the spectral domain. Each nonlinear layer creates higher-frequency harmonics, which we call "blueshift", whose magnitude increases with network depth, thereby increasing the “roughness” of the output landscape. Unlike differential models (such as vanishing gradients, sharpness), this provides a more global view of how network architectures behave across larger areas of their parameter domain. For example, the model predicts that residual connections are able to counter the effect by dampening corresponding higher frequency modes. We empirically verify the connection between blueshift and architectural choices, and provide evidence for a connection with trainability.

Large optimization problems with hard constraints arise in many settings, yet classical solvers are often prohibitively slow, motivating the use of deep networks as cheap "approximate solvers." Unfortunately, naive deep learning approaches typically cannot enforce the hard constraints of such problems, leading to infeasible solutions. In this work, we present Deep Constraint Completion and Correction (DC3), an algorithm to address this challenge. Specifically, this method enforces feasibility via a differentiable procedure, which implicitly completes partial solutions to satisfy equality constraints and unrolls gradient-based corrections to satisfy inequality constraints. We demonstrate the effectiveness of DC3 in both synthetic optimization tasks and the real-world setting of AC optimal power flow, where hard constraints encode the physics of the electrical grid. In both cases, DC3 achieves near-optimal objective values while preserving feasibility.

A wide variety of deep learning techniques from style transfer to multitask learning rely on training affine transformations of features. Most prominent among these is the popular feature normalization technique BatchNorm, which normalizes activations and then subsequently applies a learned affine transform. In this paper, we aim to understand the role and expressive power of affine parameters used to transform features in this way. To isolate the contribution of these parameters from that of the learned features they transform, we investigate the performance achieved when training only these parameters in BatchNorm and freezing all weights at their random initializations. Doing so leads to surprisingly high performance considering the significant limitations that this style of training imposes. For example, sufficiently deep ResNets reach 82% (CIFAR-10) and 32% (ImageNet, top-5) accuracy in this configuration, far higher than when training an equivalent number of randomly chosen parameters elsewhere in the network. BatchNorm achieves this performance in part by naturally learning to disable around a third of the random features. Not only do these results highlight the expressive power of affine parameters in deep learning, but - in a broader sense - they characterize the expressive power of neural networks constructed simply by shifting …

Designing an incentive compatible auction that maximizes expected revenue is a central problem in Auction Design. While theoretical approaches to the problem have hit some limits, a recent research direction initiated by Duetting et al. (2019) consists in building neural network architectures to find optimal auctions. We propose two conceptual deviations from their approach which result in enhanced performance. First, we use recent results in theoretical auction design to introduce a time-independent Lagrangian. This not only circumvents the need for an expensive hyper-parameter search (as in prior work), but also provides a single metric to compare the performance of two auctions (absent from prior work). Second, the optimization procedure in previous work uses an inner maximization loop to compute optimal misreports. We amortize this process through the introduction of an additional neural network. We demonstrate the effectiveness of our approach by learning competitive or strictly improved auctions compared to prior work. Both results together further imply a novel formulation of Auction Design as a two-player game with stationary utility functions.

The dominant paradigm for learning video-text representations – noise contrastive learning – increases the similarity of the representations of pairs of samples that are known to be related, such as text and video from the same sample, and pushes away the representations of all other pairs. We posit that this last behaviour is too strict, enforcing dissimilar representations even for samples that are semantically-related – for example, visually similar videos or ones that share the same depicted action. In this paper, we propose a novel method that alleviates this by leveraging a generative model to naturally push these related samples together: each sample’s caption must be reconstructed as a weighted combination of a support set of visual representations. This simple idea ensures that representations are not overly-specialized to individual samples, are reusable across the dataset, and results in representations that explicitly encode semantics shared between samples, unlike noise contrastive learning. Our proposed method outperforms others by a large margin on MSR-VTT, VATEX, ActivityNet, and MSVD for video-to-text and text-to-video retrieval.

While deep reinforcement learning excels at solving tasks where large amounts of data can be collected through virtually unlimited interaction with the environment, learning from limited interaction remains a key challenge. We posit that an agent can learn more efficiently if we augment reward maximization with self-supervised objectives based on structure in its visual input and sequential interaction with the environment. Our method, Self-Predictive Representations (SPR), trains an agent to predict its own latent state representations multiple steps into the future. We compute target representations for future states using an encoder which is an exponential moving average of the agent’s parameters and we make predictions using a learned transition model. On its own, this future prediction objective outperforms prior methods for sample-efficient deep RL from pixels. We further improve performance by adding data augmentation to the future prediction loss, which forces the agent’s representations to be consistent across multiple views of an observation. Our full self-supervised objective, which combines future prediction and data augmentation, achieves a median human-normalized score of 0.415 on Atari in a setting limited to 100k steps of environment interaction, which represents a 55% relative improvement over the previous state-of-the-art. Notably, even in this limited data regime, …

Overparameterized Neural Networks (NN) display state-of-the-art performance. However, there is a growing need for smaller, energy-efficient, neural networks to be able to use machine learning applications on devices with limited computational resources. A popular approach consists of using pruning techniques. While these techniques have traditionally focused on pruning pre-trained NN (LeCun et al.,1990; Hassibi et al., 1993), recent work by Lee et al. (2018) has shown promising results when pruning at initialization. However, for Deep NNs, such procedures remain unsatisfactory as the resulting pruned networks can be difficult to train and, for instance, they do not prevent one layer from being fully pruned. In this paper, we provide a comprehensive theoretical analysis of Magnitude and Gradient based pruning at initialization and training of sparse architectures. This allows us to propose novel principled approaches which we validate experimentally on a variety of NN architectures.

In many domains data is currently represented as graphs and therefore, the graph representation of this data becomes increasingly important in machine learning. Network data is, implicitly or explicitly, always represented using a graph shift operator (GSO) with the most common choices being the adjacency, Laplacian matrices and their normalisations. In this paper, a novel parametrised GSO (PGSO) is proposed, where specific parameter values result in the most commonly used GSOs and message-passing operators in graph neural network (GNN) frameworks. The PGSO is suggested as a replacement of the standard GSOs that are used in state-of-the-art GNN architectures and the optimisation of the PGSO parameters is seamlessly included in the model training. It is proved that the PGSO has real eigenvalues and a set of real eigenvectors independent of the parameter values and spectral bounds on the PGSO are derived. PGSO parameters are shown to adapt to the sparsity of the graph structure in a study on stochastic blockmodel networks, where they are found to automatically replicate the GSO regularisation found in the literature. On several real-world datasets the accuracy of state-of-the-art GNN architectures is improved by the inclusion of the PGSO in both node- and graph-classification tasks.

Many successful deep learning architectures are equivariant to certain transformations in order to conserve parameters and improve generalization: most famously, convolution layers are equivariant to shifts of the input. This approach only works when practitioners know the symmetries of the task and can manually construct an architecture with the corresponding equivariances. Our goal is an approach for learning equivariances from data, without needing to design custom task-specific architectures. We present a method for learning and encoding equivariances into networks by learning corresponding parameter sharing patterns from data. Our method can provably represent equivariance-inducing parameter sharing for any finite group of symmetry transformations. Our experiments suggest that it can automatically learn to encode equivariances to common transformations used in image processing tasks.

Catastrophic forgetting is a recurring challenge to developing versatile deep learning models. Despite its ubiquity, there is limited understanding of its connections to neural network (hidden) representations and task semantics. In this paper, we address this important knowledge gap. Through quantitative analysis of neural representations, we find that deeper layers are disproportionately responsible for forgetting, with sequential training resulting in an erasure of earlier task representational subspaces. Methods to mitigate forgetting stabilize these deeper layers, but show diversity on precise effects, with some increasing feature reuse while others store task representations orthogonally, preventing interference. These insights also enable the development of an analytic argument and empirical picture relating forgetting to task semantic similarity, where we find that maximal forgetting occurs for task sequences with intermediate similarity.

Matrix factorization is a simple and natural test-bed to investigate the implicit regularization of gradient descent. Gunasekar et al. (2017) conjectured that gradient flow with infinitesimal initialization converges to the solution that minimizes the nuclear norm, but a series of recent papers argued that the language of norm minimization is not sufficient to give a full characterization for the implicit regularization. In this work, we provide theoretical and empirical evidence that for depth-2 matrix factorization, gradient flow with infinitesimal initialization is mathematically equivalent to a simple heuristic rank minimization algorithm, Greedy Low-Rank Learning, under some reasonable assumptions. This generalizes the rank minimization view from previous works to a much broader setting and enables us to construct counter-examples to refute the conjecture from Gunasekar et al. (2017). We also extend the results to the case where depth >= 3, and we show that the benefit of being deeper is that the above convergence has a much weaker dependence over initialization magnitude so that this rank minimization is more likely to take effect for initialization with practical scale.

Current approaches to text generation largely rely on autoregressive models and maximum likelihood estimation. This paradigm leads to (i) diverse but low-quality samples due to mismatched learning objective and evaluation metric (likelihood vs. quality) and (ii) exposure bias due to mismatched history distributions (gold vs. model-generated). To alleviate these problems, we frame text generation as an offline reinforcement learning (RL) problem with expert demonstrations (i.e., the reference), where the goal is to maximize quality given model-generated histories. We propose GOLD (generation by off-policy learning from demonstrations): an easy-to-optimize algorithm that learns from the demonstrations by importance weighting. Intuitively, GOLD upweights confident tokens and downweights unconfident ones in the reference during training, avoiding optimization issues faced by prior RL approaches that rely on online data collection. According to both automatic and human evaluation, models trained by GOLD outperform those trained by MLE and policy gradient on summarization, question generation, and machine translation. Further, our models are less sensitive to decoding algorithms and alleviate exposure bias.

Self-supervised learning of video representations has received great attention. Existing methods typically require frames to be decoded before being processed, which increases compute and storage requirements and ultimately hinders large-scale training. In this work, we propose an efficient self-supervised approach to learn video representations by eliminating the expensive decoding step. We use a three-stream video architecture that encodes I-frames and P-frames of a compressed video. Unlike existing approaches that encode I-frames and P-frames individually, we propose to jointly encode them by establishing bidirectional dynamic connections across streams. To enable self-supervised learning, we propose two pretext tasks that leverage the multimodal nature (RGB, motion vector, residuals) and the internal GOP structure of compressed videos. The first task asks our network to predict zeroth-order motion statistics in a spatio-temporal pyramid; the second task asks correspondence types between I-frames and P-frames after applying temporal transformations. We show that our approach achieves competitive performance on compressed video recognition both in supervised and self-supervised regimes.

Batch Normalization is a key component in almost all state-of-the-art image classifiers, but it also introduces practical challenges: it breaks the independence between training examples within a batch, can incur compute and memory overhead, and often results in unexpected bugs. Building on recent theoretical analyses of deep ResNets at initialization, we propose a simple set of analysis tools to characterize signal propagation on the forward pass, and leverage these tools to design highly performant ResNets without activation normalization layers. Crucial to our success is an adapted version of the recently proposed Weight Standardization. Our analysis tools show how this technique preserves the signal in ReLU networks by ensuring that the per-channel activation means do not grow with depth. Across a range of FLOP budgets, our networks attain performance competitive with state-of-the-art EfficientNets on ImageNet.

As we rely on machine learning (ML) models to make more consequential decisions, the issue of ML models perpetuating unwanted social biases has come to the fore of the public's and the research community's attention. In this paper, we focus on the problem of detecting violations of individual fairness in ML models. We formalize the problem as measuring the susceptibility of ML models against a form of adversarial attack and develop a suite of inference tools for the adversarial loss. The tools allow practitioners to assess the individual fairness of ML models in a statistically-principled way: form confidence intervals for the adversarial loss and test hypotheses of model fairness with (asymptotic) non-coverage/Type I error rate control. We demonstrate the utility of our tools in a real-world case study.

A model must adapt itself to generalize to new and different data during testing. In this setting of fully test-time adaptation the model has only the test data and its own parameters. We propose to adapt by test entropy minimization (tent): we optimize the model for confidence as measured by the entropy of its predictions. Our method estimates normalization statistics and optimizes channel-wise affine transformations to update online on each batch. Tent reduces generalization error for image classification on corrupted ImageNet and CIFAR-10/100 and reaches a new state-of-the-art error on ImageNet-C. Tent handles source-free domain adaptation on digit recognition from SVHN to MNIST/MNIST-M/USPS, on semantic segmentation from GTA to Cityscapes, and on the VisDA-C benchmark. These results are achieved in one epoch of test-time optimization without altering training.

Though data augmentation has become a standard component of deep neural network training, the underlying mechanism behind the effectiveness of these techniques remains poorly understood. In practice, augmentation policies are often chosen using heuristics of distribution shift or augmentation diversity. Inspired by these, we conduct an empirical study to quantify how data augmentation improves model generalization. We introduce two interpretable and easy-to-compute measures: Affinity and Diversity. We find that augmentation performance is predicted not by either of these alone but by jointly optimizing the two.

Time-series learning is the bread and butter of data-driven clinical decision support, and the recent explosion in ML research has demonstrated great potential in various healthcare settings. At the same time, medical time-series problems in the wild are challenging due to their highly composite nature: They entail design choices and interactions among components that preprocess data, impute missing values, select features, issue predictions, estimate uncertainty, and interpret models. Despite exponential growth in electronic patient data, there is a remarkable gap between the potential and realized utilization of ML for clinical research and decision support. In particular, orchestrating a real-world project lifecycle poses challenges in engineering (i.e. hard to build), evaluation (i.e. hard to assess), and efficiency (i.e. hard to optimize). Designed to address these issues simultaneously, Clairvoyance proposes a unified, end-to-end, autoML-friendly pipeline that serves as a (i) software toolkit, (ii) empirical standard, and (iii) interface for optimization. Our ultimate goal lies in facilitating transparent and reproducible experimentation with complex inference workflows, providing integrated pathways for (1) personalized prediction, (2) treatment-effect estimation, and (3) information acquisition. Through illustrative examples on real-world data in outpatient, general wards, and intensive-care settings, we illustrate the applicability of the pipeline paradigm on core …

For many tasks, the reward function is inaccessible to introspection or too complex to be specified procedurally, and must instead be learned from user data. Prior work has evaluated learned reward functions by evaluating policies optimized for the learned reward. However, this method cannot distinguish between the learned reward function failing to reflect user preferences and the policy optimization process failing to optimize the learned reward. Moreover, this method can only tell us about behavior in the evaluation environment, but the reward may incentivize very different behavior in even a slightly different deployment environment. To address these problems, we introduce the Equivalent-Policy Invariant Comparison (EPIC) distance to quantify the difference between two reward functions directly, without a policy optimization step. We prove EPIC is invariant on an equivalence class of reward functions that always induce the same optimal policy. Furthermore, we find EPIC can be efficiently approximated and is more robust than baselines to the choice of coverage distribution. Finally, we show that EPIC distance bounds the regret of optimal policies even under different transition dynamics, and we confirm empirically that it predicts policy training success. Our source code is available at https://github.com/HumanCompatibleAI/evaluating-rewards.

For pool-based active learning, in each iteration a candidate training sample is chosen for labeling by optimizing an acquisition function. In Bayesian classification, expected Loss Reduction~(ELR) methods maximize the expected reduction in the classification error given a new labeled candidate based on a one-step-look-ahead strategy. ELR is the optimal strategy with a single query; however, since such myopic strategies cannot identify the long-term effect of a query on the classification error, ELR may get stuck before reaching the optimal classifier. In this paper, inspired by the mean objective cost of uncertainty (MOCU), a metric quantifying the uncertainty directly affecting the classification error, we propose an acquisition function based on a weighted form of MOCU. Similar to ELR, the proposed method focuses on the reduction of the uncertainty that pertains to the classification error. But unlike any other existing scheme, it provides the critical advantage that the resulting Bayesian active learning algorithm guarantees convergence to the optimal classifier of the true model. We demonstrate its performance with both synthetic and real-world datasets.

Self-supervised learning has emerged as a strategy to reduce the reliance on costly supervised signal by pretraining representations only using unlabeled data. These methods combine heuristic proxy classification tasks with data augmentations and have achieved significant success, but our theoretical understanding of this success remains limited. In this paper we analyze self-supervised representation learning using a causal framework. We show how data augmentations can be more effectively utilized through explicit invariance constraints on the proxy classifiers employed during pretraining. Based on this, we propose a novel self-supervised objective, Representation Learning via Invariant Causal Mechanisms (ReLIC), that enforces invariant prediction of proxy targets across augmentations through an invariance regularizer which yields improved generalization guarantees. Further, using causality we generalize contrastive learning, a particular kind of self-supervised method, and provide an alternative theoretical explanation for the success of these methods. Empirically, ReLIC significantly outperforms competing methods in terms of robustness and out-of-distribution generalization on ImageNet, while also significantly outperforming these methods on Atari achieving above human-level performance on 51 out of 57 games.

Empirical studies demonstrate that the performance of neural networks improves with increasing number of parameters. In most of these studies, the number of parameters is increased by increasing the network width. This begs the question: Is the observed improvement due to the larger number of parameters, or is it due to the larger width itself? We compare different ways of increasing model width while keeping the number of parameters constant. We show that for models initialized with a random, static sparsity pattern in the weight tensors, network width is the determining factor for good performance, while the number of weights is secondary, as long as the model achieves high training accuarcy. As a step towards understanding this effect, we analyze these models in the framework of Gaussian Process kernels. We find that the distance between the sparse finite-width model kernel and the infinite-width kernel at initialization is indicative of model performance.

We consider situations where the presence of dominant simpler correlations with the target variable in a training set can cause an SGD-trained neural network to be less reliant on more persistently correlating complex features. When the non-persistent, simpler correlations correspond to non-semantic background factors, a neural network trained on this data can exhibit dramatic failure upon encountering systematic distributional shift, where the correlating background features are recombined with different objects. We perform an empirical study on three synthetic datasets, showing that group invariance methods across inferred partitionings of the training set can lead to significant improvements at such test-time situations. We also suggest a simple invariance penalty, showing with experiments on our setups that it can perform better than alternatives. We find that even without assuming access to any systematically shifted validation sets, one can still find improvements over an ERM-trained reference model.

Training a fair machine learning model is essential to prevent demographic disparity. Existing techniques for improving model fairness require broad changes in either data preprocessing or model training, rendering themselves difficult-to-adopt for potentially already complex machine learning systems. We address this problem via the lens of bilevel optimization. While keeping the standard training algorithm as an inner optimizer, we incorporate an outer optimizer so as to equip the inner problem with an additional functionality: Adaptively selecting minibatch sizes for the purpose of improving model fairness. Our batch selection algorithm, which we call FairBatch, implements this optimization and supports prominent fairness measures: equal opportunity, equalized odds, and demographic parity. FairBatch comes with a significant implementation benefit -- it does not require any modification to data preprocessing or model training. For instance, a single-line change of PyTorch code for replacing batch selection part of model training suffices to employ FairBatch. Our experiments conducted both on synthetic and benchmark real data demonstrate that FairBatch can provide such functionalities while achieving comparable (or even greater) performances against the state of the arts. Furthermore, FairBatch can readily improve fairness of any pre-trained model simply via fine-tuning. It is also compatible with existing batch selection techniques …

Generative Adversarial Networks are notoriously challenging to train. The underlying minmax optimization is highly susceptible to the variance of the stochastic gradient and the rotational component of the associated game vector field. To tackle these challenges, we propose the Lookahead algorithm for minmax optimization, originally developed for single objective minimization only. The backtracking step of our Lookahead–minmax naturally handles the rotational game dynamics, a property which was identified to be key for enabling gradient ascent descent methods to converge on challenging examples often analyzed in the literature. Moreover, it implicitly handles high variance without using large mini-batches, known to be essential for reaching state of the art performance. Experimental results on MNIST, SVHN, CIFAR-10, and ImageNet demonstrate a clear advantage of combining Lookahead–minmax with Adam or extragradient, in terms of performance and improved stability, for negligible memory and computational cost. Using 30-fold fewer parameters and 16-fold smaller minibatches we outperform the reported performance of the class-dependent BigGAN on CIFAR-10 by obtaining FID of 12.19 without using the class labels, bringing state-of-the-art GAN training within reach of common computational resources.

The recommendation system (RS) plays an important role in the content recommendation and retrieval scenarios. The core part of the system is the Ranking neural network, which is usually a bottleneck of whole system performance during online inference. In this work, we propose a unified model and embedding compression (UMEC) framework to hammer an efficient neural network-based recommendation system. Our framework jointly learns input feature selection and neural network compression together, and solve them as an end-to-end resource-constrained optimization problem using ADMM. Our method outperforms other baselines in terms of neural network Flops, sparse embedding feature size and the number of sparse embedding features. We evaluate our method on the public benchmark of DLRM, trained over the Kaggle Criteo dataset. The codes can be found at https://github.com/VITA-Group/UMEC.

Learning on 3D structures of large biomolecules is emerging as a distinct area in machine learning, but there has yet to emerge a unifying network architecture that simultaneously leverages the geometric and relational aspects of the problem domain. To address this gap, we introduce geometric vector perceptrons, which extend standard dense layers to operate on collections of Euclidean vectors. Graph neural networks equipped with such layers are able to perform both geometric and relational reasoning on efficient representations of macromolecules. We demonstrate our approach on two important problems in learning from protein structure: model quality assessment and computational protein design. Our approach improves over existing classes of architectures on both problems, including state-of-the-art convolutional neural networks and graph neural networks. We release our code at https://github.com/drorlab/gvp.

We propose PermaKey, a novel approach to representation learning based on object keypoints. It leverages the predictability of local image regions from spatial neighborhoods to identify salient regions that correspond to object parts, which are then converted to keypoints. Unlike prior approaches, it utilizes predictability to discover object keypoints, an intrinsic property of objects. This ensures that it does not overly bias keypoints to focus on characteristics that are not unique to objects, such as movement, shape, colour etc. We demonstrate the efficacy of PermaKey on Atari where it learns keypoints corresponding to the most salient object parts and is robust to certain visual distractors. Further, on downstream RL tasks in the Atari domain we demonstrate how agents equipped with our keypoints outperform those using competing alternatives, even on challenging environments with moving backgrounds or distractor objects.

Object goal navigation aims to steer an agent towards a target object based on observations of the agent. It is of pivotal importance to design effective visual representations of the observed scene in determining navigation actions. In this paper, we introduce a Visual Transformer Network (VTNet) for learning informative visual representation in navigation. VTNet is a highly effective structure that embodies two key properties for visual representations: First, the relationships among all the object instances in a scene are exploited; Second, the spatial locations of objects and image regions are emphasized so that directional navigation signals can be learned. Furthermore, we also develop a pre-training scheme to associate the visual representations with navigation signals, and thus facilitate navigation policy learning. In a nutshell, VTNet embeds object and region features with their location cues as spatial-aware descriptors and then incorporates all the encoded descriptors through attention operations to achieve informative representation for navigation. Given such visual representations, agents are able to explore the correlations between visual observations and navigation actions. For example, an agent would prioritize turning right'' overturning left'' when the visual representation emphasizes on the right side of activation map. Experiments in the artificial environment AI2-Thor demonstrate that …

We explore the hypothesis that learning modular structures which reflect the dynamics of the environment can lead to better generalization and robustness to changes that only affect a few of the underlying causes. We propose Recurrent Independent Mechanisms (RIMs), a new recurrent architecture in which multiple groups of recurrent cells operate with nearly independent transition dynamics, communicate only sparingly through the bottleneck of attention, and compete with each other so they are updated only at time steps where they are most relevant. We show that this leads to specialization amongst the RIMs, which in turn allows for remarkably improved generalization on tasks where some factors of variation differ systematically between training and evaluation.

Training classifiers under fairness constraints such as group fairness, regularizes the disparities of predictions between the groups. Nevertheless, even though the constraints are satisfied during training, they might not generalize at evaluation time. To improve the generalizability of fair classifiers, we propose fair mixup, a new data augmentation strategy for imposing the fairness constraint. In particular, we show that fairness can be achieved by regularizing the models on paths of interpolated samples between the groups. We use mixup, a powerful data augmentation strategy to generate these interpolates. We analyze fair mixup and empirically show that it ensures a better generalization for both accuracy and fairness measurement in tabular, vision, and language benchmarks.

Policy-Space Response Oracles (PSRO) is a general algorithmic framework for learning policies in multiagent systems by interleaving empirical game analysis with deep reinforcement learning (DRL). At each iteration, DRL is invoked to train a best response to a mixture of opponent policies. The repeated application of DRL poses an expensive computational burden as we look to apply this algorithm to more complex domains. We introduce two variations of PSRO designed to reduce the amount of simulation required during DRL training. Both algorithms modify how PSRO adds new policies to the empirical game, based on learned responses to a single opponent policy. The first, Mixed-Oracles, transfers knowledge from previous iterations of DRL, requiring training only against the opponent's newest policy. The second, Mixed-Opponents, constructs a pure-strategy opponent by mixing existing strategy's action-value estimates, instead of their policies. Learning against a single policy mitigates conflicting experiences on behalf of a learner facing an unobserved distribution of opponents. We empirically demonstrate that these algorithms substantially reduce the amount of simulation during training required by PSRO, while producing equivalent or better solutions to the game.

Effective training of deep neural networks can be challenging, and there remain many open questions on how to best learn these models. Recently developed methods to improve neural network training examine teaching: providing learned information during the training process to improve downstream model performance. In this paper, we take steps towards extending the scope of teaching. We propose a flexible teaching framework using commentaries, learned meta-information helpful for training on a particular task. We present gradient-based methods to learn commentaries, leveraging recent work on implicit differentiation for scalability. We explore diverse applications of commentaries, from weighting training examples, to parameterising label-dependent data augmentation policies, to representing attention masks that highlight salient image regions. We find that commentaries can improve training speed and/or performance, and provide insights about the dataset and training process. We also observe that commentaries generalise: they can be reused when training new models to obtain performance benefits, suggesting a use-case where commentaries are stored with a dataset and leveraged in future for improved model training.

Poisoning attacks on Reinforcement Learning (RL) systems could take advantage of RL algorithm’s vulnerabilities and cause failure of the learning. However, prior works on poisoning RL usually either unrealistically assume the attacker knows the underlying Markov Decision Process (MDP), or directly apply the poisoning methods in supervised learning to RL. In this work, we build a generic poisoning framework for online RL via a comprehensive investigation of heterogeneous poisoning models in RL. Without any prior knowledge of the MDP, we propose a strategic poisoning algorithm called Vulnerability-Aware Adversarial Critic Poison (VA2C-P), which works for on-policy deep RL agents, closing the gap that no poisoning method exists for policy-based RL agents. VA2C-P uses a novel metric, stability radius in RL, that measures the vulnerability of RL algorithms. Experiments on multiple deep RL agents and multiple environments show that our poisoning algorithm successfully prevents agents from learning a good policy or teaches the agents to converge to a target policy, with a limited attacking budget.

In the human brain, sequences of language input are processed within a distributed and hierarchical architecture, in which higher stages of processing encode contextual information over longer timescales. In contrast, in recurrent neural networks which perform natural language processing, we know little about how the multiple timescales of contextual information are functionally organized. Therefore, we applied tools developed in neuroscience to map the “processing timescales” of individual units within a word-level LSTM language model. This timescale-mapping method assigned long timescales to units previously found to track long-range syntactic dependencies. Additionally, the mapping revealed a small subset of the network (less than 15% of units) with long timescales and whose function had not previously been explored. We next probed the functional organization of the network by examining the relationship between the processing timescale of units and their network connectivity. We identified two classes of long-timescale units: “controller” units composed a densely interconnected subnetwork and strongly projected to the rest of the network, while “integrator” units showed the longest timescales in the network, and expressed projection profiles closer to the mean projection profile. Ablating integrator and controller units affected model performance at different positions within a sentence, suggesting distinctive functions of these …

We investigate two causes for adversarial vulnerability in deep neural networks: bad data and (poorly) trained models. When trained with SGD, deep neural networks essentially achieve zero training error, even in the presence of label noise, while also exhibiting good generalization on natural test data, something referred to as benign overfitting (Bartlett et al., 2020; Chatterji & Long, 2020). However, these models are vulnerable to adversarial attacks. We identify label noise as one of the causes for adversarial vulnerability, and provide theoretical and empirical evidence in support of this. Surprisingly, we find several instances of label noise in datasets such as MNIST and CIFAR, and that robustly trained models incur training error on some of these, i.e. they don’t fit the noise. However, removing noisy labels alone does not suffice to achieve adversarial robustness. We conjecture that in part sub-optimal representation learning is also responsible for adversarial vulnerability. By means of simple theoretical setups, we show how the choice of representation can drastically affect adversarial robustness.

Domain translation is the process of transforming data from one domain to another while preserving the common semantics. Some of the most popular domain translation systems are based on conditional generative adversarial networks, which use source domain data to drive the generator and as an input to the discriminator. However, this approach does not enforce the preservation of shared semantics since the conditional input can often be ignored by the discriminator. We propose an alternative method for conditioning and present a new framework, where two networks are simultaneously trained, in a supervised manner, to perform domain translation in opposite directions. Our method is not only better at capturing the shared information between two domains but is more generic and can be applied to a broader range of problems. The proposed framework performs well even in challenging cross-modal translations, such as video-driven speech reconstruction, for which other systems struggle to maintain correspondence.

Exploration under sparse reward is a long-standing challenge of model-free reinforcement learning. The state-of-the-art methods address this challenge by introducing intrinsic rewards to encourage exploration in novel states or uncertain environment dynamics. Unfortunately, methods based on intrinsic rewards often fall short in procedurally-generated environments, where a different environment is generated in each episode so that the agent is not likely to visit the same state more than once. Motivated by how humans distinguish good exploration behaviors by looking into the entire episode, we introduce RAPID, a simple yet effective episode-level exploration method for procedurally-generated environments. RAPID regards each episode as a whole and gives an episodic exploration score from both per-episode and long-term views. Those highly scored episodes are treated as good exploration behaviors and are stored in a small ranking buffer. The agent then imitates the episodes in the buffer to reproduce the past good exploration behaviors. We demonstrate our method on several procedurally-generated MiniGrid environments, a first-person-view 3D Maze navigation task from MiniWorld, and several sparse MuJoCo tasks. The results show that RAPID significantly outperforms the state-of-the-art intrinsic reward strategies in terms of sample efficiency and final performance. The code is available at https://github.com/daochenzha/rapid

Conducting text retrieval in a learned dense representation space has many intriguing advantages. Yet dense retrieval (DR) often underperforms word-based sparse retrieval. In this paper, we first theoretically show the bottleneck of dense retrieval is the domination of uninformative negatives sampled in mini-batch training, which yield diminishing gradient norms, large gradient variances, and slow convergence. We then propose Approximate nearest neighbor Negative Contrastive Learning (ANCE), which selects hard training negatives globally from the entire corpus. Our experiments demonstrate the effectiveness of ANCE on web search, question answering, and in a commercial search engine, showing ANCE dot-product retrieval nearly matches the accuracy of BERT-based cascade IR pipeline. We also empirically validate our theory that negative sampling with ANCE better approximates the oracle importance sampling procedure and improves learning convergence.

For infinitesimal learning rates, stochastic gradient descent (SGD) follows the path of gradient flow on the full batch loss function. However moderately large learning rates can achieve higher test accuracies, and this generalization benefit is not explained by convergence bounds, since the learning rate which maximizes test accuracy is often larger than the learning rate which minimizes training loss. To interpret this phenomenon we prove that for SGD with random shuffling, the mean SGD iterate also stays close to the path of gradient flow if the learning rate is small and finite, but on a modified loss. This modified loss is composed of the original loss function and an implicit regularizer, which penalizes the norms of the minibatch gradients. Under mild assumptions, when the batch size is small the scale of the implicit regularization term is proportional to the ratio of the learning rate to the batch size. We verify empirically that explicitly including the implicit regularizer in the loss can enhance the test accuracy when the learning rate is small.

Many control tasks exhibit similar dynamics that can be modeled as having common latent structure. Hidden-Parameter Markov Decision Processes (HiP-MDPs) explicitly model this structure to improve sample efficiency in multi-task settings. However, this setting makes strong assumptions on the observability of the state that limit its application in real-world scenarios with rich observation spaces. In this work, we leverage ideas of common structure from the HiP-MDP setting, and extend it to enable robust state abstractions inspired by Block MDPs. We derive instantiations of this new framework for both multi-task reinforcement learning (MTRL) and meta-reinforcement learning (Meta-RL) settings. Further, we provide transfer and generalization bounds based on task and state similarity, along with sample complexity bounds that depend on the aggregate number of samples across tasks, rather than the number of tasks, a significant improvement over prior work. To further demonstrate efficacy of the proposed method, we empirically compare and show improvement over multi-task and meta-reinforcement learning baselines.

We ask the following question: what training information is required to design an effective outlier/out-of-distribution (OOD) detector, i.e., detecting samples that lie far away from training distribution? Since unlabeled data is easily accessible for many applications, the most compelling approach is to develop detectors based on only unlabeled in-distribution data. However, we observe that most existing detectors based on unlabeled data perform poorly, often equivalent to a random prediction. In contrast, existing state-of-the-art OOD detectors achieve impressive performance but require access to fine-grained data labels for supervised training. We propose SSD, an outlier detector based on only unlabeled in-distribution data. We use self-supervised representation learning followed by a Mahalanobis distance based detection in the feature space. We demonstrate that SSD outperforms most existing detectors based on unlabeled data by a large margin. Additionally, SSD even achieves performance on par, and sometimes even better, with supervised training based detectors. Finally, we expand our detection framework with two key extensions. First, we formulate few-shot OOD detection, in which the detector has access to only one to five samples from each class of the targeted OOD dataset. Second, we extend our framework to incorporate training data labels, if available. We find that our …

Unsupervised contact prediction is central to uncovering physical, structural, and functional constraints for protein structure determination and design. For decades, the predominant approach has been to infer evolutionary constraints from a set of related sequences. In the past year, protein language models have emerged as a potential alternative, but performance has fallen short of state-of-the-art approaches in bioinformatics. In this paper we demonstrate that Transformer attention maps learn contacts from the unsupervised language modeling objective. We find the highest capacity models that have been trained to date already outperform a state-of-the-art unsupervised contact prediction pipeline, suggesting these pipelines can be replaced with a single forward pass of an end-to-end model.

Uncertainty estimation is important for ensuring safety and robustness of AI systems. While most research in the area has focused on un-structured prediction tasks, limited work has investigated general uncertainty estimation approaches for structured prediction. Thus, this work aims to investigate uncertainty estimation for structured prediction tasks within a single unified and interpretable probabilistic ensemble-based framework. We consider: uncertainty estimation for sequence data at the token-level and complete sequence-level; interpretations for, and applications of, various measures of uncertainty; and discuss both the theoretical and practical challenges associated with obtaining them. This work also provides baselines for token-level and sequence-level error detection, and sequence-level out-of-domain input detection on the WMT’14 English-French and WMT’17 English-German translation and LibriSpeech speech recognition datasets.

Non-stationarity can arise in Reinforcement Learning (RL) even in stationary environments. For example, most RL algorithms collect new data throughout training, using a non-stationary behaviour policy. Due to the transience of this non-stationarity, it is often not explicitly addressed in deep RL and a single neural network is continually updated. However, we find evidence that neural networks exhibit a memory effect, where these transient non-stationarities can permanently impact the latent representation and adversely affect generalisation performance. Consequently, to improve generalisation of deep RL agents, we propose Iterated Relearning (ITER). ITER augments standard RL training by repeated knowledge transfer of the current policy into a freshly initialised network, which thereby experiences less non-stationarity during training. Experimentally, we show that ITER improves performance on the challenging generalisation benchmarks ProcGen and Multiroom.

Action and observation delays commonly occur in many Reinforcement Learning applications, such as remote control scenarios. We study the anatomy of randomly delayed environments, and show that partially resampling trajectory fragments in hindsight allows for off-policy multi-step value estimation. We apply this principle to derive Delay-Correcting Actor-Critic (DCAC), an algorithm based on Soft Actor-Critic with significantly better performance in environments with delays. This is shown theoretically and also demonstrated practically on a delay-augmented version of the MuJoCo continuous control benchmark.

In this work, we propose a new generative model that is capable of automatically decoupling global and local representations of images in an entirely unsupervised setting, by embedding a generative flow in the VAE framework to model the decoder. Specifically, the proposed model utilizes the variational auto-encoding framework to learn a (low-dimensional) vector of latent variables to capture the global information of an image, which is fed as a conditional input to a flow-based invertible decoder with architecture borrowed from style transfer literature. Experimental results on standard image benchmarks demonstrate the effectiveness of our model in terms of density estimation, image generation and unsupervised representation learning. Importantly, this work demonstrates that with only architectural inductive biases, a generative model with a likelihood-based objective is capable of learning decoupled representations, requiring no explicit supervision. The code for our model is available at \url{https://github.com/XuezheMax/wolf}.

The attention mechanism has been widely used in deep neural networks as a model component. By now, it has become a critical building block in many state-of-the-art natural language models. Despite its great success established empirically, the working mechanism of attention has not been investigated at a sufficient theoretical depth to date. In this paper, we set up a simple text classification task and study the dynamics of training a simple attention-based classification model using gradient descent. In this setting, we show that, for the discriminative words that the model should attend to, a persisting identity exists relating its embedding and the inner product of its key and the query. This allows us to prove that training must converge to attending to the discriminative words when the attention output is classified by a linear classifier. Experiments are performed, which validate our theoretical analysis and provide further insights.

Many models learn representations of knowledge graph data by exploiting its low-rank latent structure, encoding known relations between entities and enabling unknown facts to be inferred. To predict whether a relation holds between entities, embeddings are typically compared in the latent space following a relation-specific mapping. Whilst their predictive performance has steadily improved, how such models capture the underlying latent structure of semantic information remains unexplained. Building on recent theoretical understanding of word embeddings, we categorise knowledge graph relations into three types and for each derive explicit requirements of their representations. We show that empirical properties of relation representations and the relative performance of leading knowledge graph representation methods are justified by our analysis.

Policy gradient algorithms have proven to be successful in diverse decision making and control tasks. However, these methods suffer from high sample complexity and instability issues. In this paper, we address these challenges by providing a different approach for training the critic in the actor-critic framework. Our work builds on recent studies indicating that traditional actor-critic algorithms do not succeed in fitting the true value function, calling for the need to identify a better objective for the critic. In our method, the critic uses a new state-value (resp. state-action-value) function approximation that learns the value of the states (resp. state-action pairs) relative to their mean value rather than the absolute value as in conventional actor-critic. We prove the theoretical consistency of the new gradient estimator and observe dramatic empirical improvement across a variety of continuous control tasks and algorithms. Furthermore, we validate our method in tasks with sparse rewards, where we provide experimental evidence and theoretical insights.

Dense Associative Memories or modern Hopfield networks permit storage and reliable retrieval of an exponentially large (in the dimension of feature space) number of memories. At the same time, their naive implementation is non-biological, since it seemingly requires the existence of many-body synaptic junctions between the neurons. We show that these models are effective descriptions of a more microscopic (written in terms of biological degrees of freedom) theory that has additional (hidden) neurons and only requires two-body interactions between them. For this reason our proposed microscopic theory is a valid model of large associative memory with a degree of biological plausibility. The dynamics of our network and its reduced dimensional equivalent both minimize energy (Lyapunov) functions. When certain dynamical variables (hidden neurons) are integrated out from our microscopic theory, one can recover many of the models that were previously discussed in the literature, e.g. the model presented in "Hopfield Networks is All You Need" paper. We also provide an alternative derivation of the energy function and the update rule proposed in the aforementioned paper and clarify the relationships between various models of this class.

To successfully negotiate a deal, it is not enough to communicate fluently: pragmatic planning of persuasive negotiation strategies is essential. While modern dialogue agents excel at generating fluent sentences, they still lack pragmatic grounding and cannot reason strategically. We present DialoGraph, a negotiation system that incorporates pragmatic strategies in a negotiation dialogue using graph neural networks. DialoGraph explicitly incorporates dependencies between sequences of strategies to enable improved and interpretable prediction of next optimal strategies, given the dialogue context. Our graph-based method outperforms prior state-of-the-art negotiation models both in the accuracy of strategy/dialogue act prediction and in the quality of downstream dialogue response generation. We qualitatively show further benefits of learned strategy-graphs in providing explicit associations between effective negotiation strategies over the course of the dialogue, leading to interpretable and strategic dialogues.

In this work we propose the use of adaptive stochastic search as a building block for general, non-convex optimization operations within deep neural network architectures. Specifically, for an objective function located at some layer in the network and parameterized by some network parameters, we employ adaptive stochastic search to perform optimization over its output. This operation is differentiable and does not obstruct the passing of gradients during backpropagation, thus enabling us to incorporate it as a component in end-to-end learning. We study the proposed optimization module's properties and benchmark it against two existing alternatives on a synthetic energy-based structured prediction task, and further showcase its use in stochastic optimal control applications.

Deep generative models provide a powerful set of tools to understand real-world data. But as these models improve, they increase in size and complexity, so their computational cost in memory and execution time grows. Using binary weights in neural networks is one method which has shown promise in reducing this cost. However, whether binary neural networks can be used in generative models is an open problem. In this work we show, for the first time, that we can successfully train generative models which utilize binary neural networks. This reduces the computational cost of the models massively. We develop a new class of binary weight normalization, and provide insights for architecture designs of these binarized generative models. We demonstrate that two state-of-the-art deep generative models, the ResNet VAE and Flow++ models, can be binarized effectively using these techniques. We train binary models that achieve loss values close to those of the regular models but are 90%-94% smaller in size, and also allow significant speed-ups in execution time.

State-of-the-art natural language understanding classification models follow two-stages: pre-training a large language model on an auxiliary task, and then fine-tuning the model on a task-specific labeled dataset using cross-entropy loss. However, the cross-entropy loss has several shortcomings that can lead to sub-optimal generalization and instability. Driven by the intuition that good generalization requires capturing the similarity between examples in one class and contrasting them with examples in other classes, we propose a supervised contrastive learning (SCL) objective for the fine-tuning stage. Combined with cross-entropy, our proposed SCL loss obtains significant improvements over a strong RoBERTa-Large baseline on multiple datasets of the GLUE benchmark in few-shot learning settings, without requiring specialized architecture, data augmentations, memory banks, or additional unsupervised data. Our proposed fine-tuning objective leads to models that are more robust to different levels of noise in the fine-tuning training data, and can generalize better to related tasks with limited labeled data.

Given (small amounts of) time-series' data from a high-dimensional, fine-grained, multiscale dynamical system, we propose a generative framework for learning an effective, lower-dimensional, coarse-grained dynamical model that is predictive of the fine-grained system's long-term evolution but also of its behavior under different initial conditions. We target fine-grained models as they arise in physical applications (e.g. molecular dynamics, agent-based models), the dynamics of which are strongly non-stationary but their transition to equilibrium is governed by unknown slow processes which are largely inaccessible by brute-force simulations. Approaches based on domain knowledge heavily rely on physical insight in identifying temporally slow features and fail to enforce the long-term stability of the learned dynamics. On the other hand, purely statistical frameworks lack interpretability and rely on large amounts of expensive simulation data (long and multiple trajectories) as they cannot infuse domain knowledge. The generative framework proposed achieves the aforementioned desiderata by employing a flexible prior on the complex plane for the latent, slow processes, and an intermediate layer of physics-motivated latent variables that reduces reliance on data and imbues inductive bias. In contrast to existing schemes, it does not require the a priori definition of projection operators from the fine-grained description and addresses simultaneously …

We propose a novel setting for reinforcement learning that combines two common real-world difficulties: presence of observations (such as camera images) and factored states (such as location of objects). In our setting, the agent receives observations generated stochastically from a "latent" factored state. These observations are "rich enough" to enable decoding of the latent state and remove partial observability concerns. Since the latent state is combinatorial, the size of state space is exponential in the number of latent factors. We create a learning algorithm FactoRL (Fact-o-Rel) for this setting, which uses noise-contrastive learning to identify latent structures in emission processes and discover a factorized state space. We derive polynomial sample complexity guarantees for FactoRL which polynomially depend upon the number factors, and very weakly depend on the size of the observation space. We also provide a guarantee of polynomial time complexity when given access to an efficient planning algorithm.

We study the problem of policy optimization for infinite-horizon discounted Markov Decision Processes with softmax policy and nonlinear function approximation trained with policy gradient algorithms. We concentrate on the training dynamics in the mean-field regime, modeling e.g. the behavior of wide single hidden layer neural networks, when exploration is encouraged through entropy regularization. The dynamics of these models is established as a Wasserstein gradient flow of distributions in parameter space. We further prove global optimality of the fixed points of this dynamics under mild conditions on their initialization.

A deep equilibrium model uses implicit layers, which are implicitly defined through an equilibrium point of an infinite sequence of computation. It avoids any explicit computation of the infinite sequence by finding an equilibrium point directly via root-finding and by computing gradients via implicit differentiation. In this paper, we analyze the gradient dynamics of deep equilibrium models with nonlinearity only on weight matrices and non-convex objective functions of weights for regression and classification. Despite non-convexity, convergence to global optimum at a linear rate is guaranteed without any assumption on the width of the models, allowing the width to be smaller than the output dimension and the number of data points. Moreover, we prove a relation between the gradient dynamics of the deep implicit layer and the dynamics of trust region Newton method of a shallow explicit layer. This mathematically proven relation along with our numerical observation suggests the importance of understanding implicit bias of implicit layers and an open problem on the topic. Our proofs deal with implicit layers, weight tying and nonlinearity on weights, and differ from those in the related literature.

Multi-goal reaching is an important problem in reinforcement learning needed to achieve algorithmic generalization. Despite recent advances in this field, current algorithms suffer from three major challenges: high sample complexity, learning only a single way of reaching the goals, and difficulties in solving complex motion planning tasks. In order to address these limitations, we introduce the concept of cumulative accessibility functions, which measure the reachability of a goal from a given state within a specified horizon. We show that these functions obey a recurrence relation, which enables learning from offline interactions. We also prove that optimal cumulative accessibility functions are monotonic in the planning horizon. Additionally, our method can trade off speed and reliability in goal-reaching by suggesting multiple paths to a single goal depending on the provided horizon. We evaluate our approach on a set of multi-goal discrete and continuous control tasks. We show that our method outperforms state-of-the-art goal-reaching algorithms in success rate, sample complexity, and path optimality. Our code is available at https://github.com/layer6ai-labs/CAE, and additional visualizations can be found at https://sites.google.com/view/learning-cae/.

Bayesian inference over the reward presents an ideal solution to the ill-posed nature of the inverse reinforcement learning problem. Unfortunately current methods generally do not scale well beyond the small tabular setting due to the need for an inner-loop MDP solver, and even non-Bayesian methods that do themselves scale often require extensive interaction with the environment to perform well, being inappropriate for high stakes or costly applications such as healthcare. In this paper we introduce our method, Approximate Variational Reward Imitation Learning (AVRIL), that addresses both of these issues by jointly learning an approximate posterior distribution over the reward that scales to arbitrarily complicated state spaces alongside an appropriate policy in a completely offline manner through a variational approach to said latent reward. Applying our method to real medical data alongside classic control simulations, we demonstrate Bayesian reward inference in environments beyond the scope of current methods, as well as task performance competitive with focused offline imitation learning algorithms.

We introduce Performers, Transformer architectures which can estimate regular (softmax) full-rank-attention Transformers with provable accuracy, but using only linear (as opposed to quadratic) space and time complexity, without relying on any priors such as sparsity or low-rankness. To approximate softmax attention-kernels, Performers use a novel Fast Attention Via positive Orthogonal Random features approach (FAVOR+), which may be of independent interest for scalable kernel methods. FAVOR+ can also be used to efficiently model kernelizable attention mechanisms beyond softmax. This representational power is crucial to accurately compare softmax with other kernels for the first time on large-scale tasks, beyond the reach of regular Transformers, and investigate optimal attention-kernels. Performers are linear architectures fully compatible with regular Transformers and with strong theoretical guarantees: unbiased or nearly-unbiased estimation of the attention matrix, uniform convergence and low estimation variance. We tested Performers on a rich set of tasks stretching from pixel-prediction through text models to protein sequence modeling. We demonstrate competitive results with other examined efficient sparse and dense attention methods, showcasing effectiveness of the novel attention-learning paradigm leveraged by Performers.

Methods for automatically learning to solve routing problems are rapidly improving in performance. While most of these methods excel at generating solutions quickly, they are unable to effectively utilize longer run times because they lack a sophisticated search component. We present a learning-based optimization approach that allows a guided search in the distribution of high-quality solutions for a problem instance. More precisely, our method uses a conditional variational autoencoder that learns to map points in a continuous (latent) search space to high-quality, instance-specific routing problem solutions. The learned space can then be searched by any unconstrained continuous optimization method. We show that even using a standard differential evolution search strategy our approach is able to outperform existing purely machine learning based approaches.

Despite the widespread application of recurrent neural networks (RNNs), a unified understanding of how RNNs solve particular tasks remains elusive. In particular, it is unclear what dynamical patterns arise in trained RNNs, and how those pat-terns depend on the training dataset or task. This work addresses these questions in the context of text classification, building on earlier work studying the dynamics of binary sentiment-classification networks (Maheswaranathan et al., 2019). We study text-classification tasks beyond the binary case, exploring the dynamics ofRNNs trained on both natural and synthetic datasets. These dynamics, which we find to be both interpretable and low-dimensional, share a common mechanism across architectures and datasets: specifically, these text-classification networks use low-dimensional attractor manifolds to accumulate evidence for each class as they process the text. The dimensionality and geometry of the attractor manifold are determined by the structure of the training dataset, with the dimensionality reflecting the number of scalar quantities the network remembers in order to classify.In categorical classification, for example, we show that this dimensionality is one less than the number of classes. Correlations in the dataset, such as those induced by ordering, can further reduce the dimensionality of the attractor manifold; we show how to predict …

Contrasting the previous evidence that neurons in the later layers of a Convolutional Neural Network (CNN) respond to complex object shapes, recent studies have shown that CNNs actually exhibit a 'texture bias': given an image with both texture and shape cues (e.g., a stylized image), a CNN is biased towards predicting the category corresponding to the texture. However, these previous studies conduct experiments on the final classification output of the network, and fail to robustly evaluate the bias contained (i) in the latent representations, and (ii) on a per-pixel level. In this paper, we design a series of experiments that overcome these issues. We do this with the goal of better understanding what type of shape information contained in the network is discriminative, where shape information is encoded, as well as when the network learns about object shape during training. We show that a network learns the majority of overall shape information at the first few epochs of training and that this information is largely encoded in the last few layers of a CNN. Finally, we show that the encoding of shape does not imply the encoding of localized per-pixel semantic information. The experimental results and findings provide a more …

Understanding the algorithmic bias of stochastic gradient descent (SGD) is one of the key challenges in modern machine learning and deep learning theory. Most of the existing works, however, focus on very small or even infinitesimal learning rate regime, and fail to cover practical scenarios where the learning rate is moderate and annealing. In this paper, we make an initial attempt to characterize the particular regularization effect of SGD in the moderate learning rate regime by studying its behavior for optimizing an overparameterized linear regression problem. In this case, SGD and GD are known to converge to the unique minimum-norm solution; however, with the moderate and annealing learning rate, we show that they exhibit different directional bias: SGD converges along the large eigenvalue directions of the data matrix, while GD goes after the small eigenvalue directions. Furthermore, we show that such directional bias does matter when early stopping is adopted, where the SGD output is nearly optimal but the GD output is suboptimal. Finally, our theory explains several folk arts in practice used for SGD hyperparameter tuning, such as (1) linearly scaling the initial learning rate with batch size; and (2) overrunning SGD with high learning rate even when the …

Both uncertainty estimation and interpretability are important factors for trustworthy machine learning systems. However, there is little work at the intersection of these two areas. We address this gap by proposing a novel method for interpreting uncertainty estimates from differentiable probabilistic models, like Bayesian Neural Networks (BNNs). Our method, Counterfactual Latent Uncertainty Explanations (CLUE), indicates how to change an input, while keeping it on the data manifold, such that a BNN becomes more confident about the input's prediction. We validate CLUE through 1) a novel framework for evaluating counterfactual explanations of uncertainty, 2) a series of ablation experiments, and 3) a user study. Our experiments show that CLUE outperforms baselines and enables practitioners to better understand which input patterns are responsible for predictive uncertainty.

The existing Neural ODE formulation relies on an explicit knowledge of the termination time. We extend Neural ODEs to implicitly defined termination criteria modeled by neural event functions, which can be chained together and differentiated through. Neural Event ODEs are capable of modeling discrete and instantaneous changes in a continuous-time system, without prior knowledge of when these changes should occur or how many such changes should exist. We test our approach in modeling hybrid discrete- and continuous- systems such as switching dynamical systems and collision in multi-body systems, and we propose simulation-based training of point processes with applications in discrete control.

We study the problem of how to construct a set of policies that can be composed together to solve a collection of reinforcement learning tasks. Each task is a different reward function defined as a linear combination of known features. We consider a specific class of policy compositions which we call set improving policies (SIPs): given a set of policies and a set of tasks, a SIP is any composition of the former whose performance is at least as good as that of its constituents across all the tasks. We focus on the most conservative instantiation of SIPs, set-max policies (SMPs), so our analysis extends to any SIP. This includes known policy-composition operators like generalized policy improvement. Our main contribution is an algorithm that builds a set of policies in order to maximize the worst-case performance of the resulting SMP on the set of tasks. The algorithm works by successively adding new policies to the set. We show that the worst-case performance of the resulting SMP strictly improves at each iteration, and the algorithm only stops when there does not exist a policy that leads to improved performance. We empirically evaluate our algorithm on a grid world and also on …

Training Generative Adversarial Networks (GAN) on high-fidelity images usually requires large-scale GPU-clusters and a vast number of training images. In this paper, we study the few-shot image synthesis task for GAN with minimum computing cost. We propose a light-weight GAN structure that gains superior quality on 1024^2 resolution. Notably, the model converges from scratch with just a few hours of training on a single RTX-2080 GPU, and has a consistent performance, even with less than 100 training samples. Two technique designs constitute our work, a skip-layer channel-wise excitation module and a self-supervised discriminator trained as a feature-encoder. With thirteen datasets covering a wide variety of image domains (The datasets and code are available at https://github.com/odegeasslbc/FastGAN-pytorch), we show our model's superior performance compared to the state-of-the-art StyleGAN2, when data and computing budget are limited.

Every living organism struggles against disruptive environmental forces to carve out and maintain an orderly niche. We propose that such a struggle to achieve and preserve order might offer a principle for the emergence of useful behaviors in artificial agents. We formalize this idea into an unsupervised reinforcement learning method called surprise minimizing reinforcement learning (SMiRL). SMiRL alternates between learning a density model to evaluate the surprise of a stimulus, and improving the policy to seek more predictable stimuli. The policy seeks out stable and repeatable situations that counteract the environment's prevailing sources of entropy. This might include avoiding other hostile agents, or finding a stable, balanced pose for a bipedal robot in the face of disturbance forces. We demonstrate that our surprise minimizing agents can successfully play Tetris, Doom, control a humanoid to avoid falls, and navigate to escape enemies in a maze without any task-specific reward supervision. We further show that SMiRL can be used together with standard task rewards to accelerate reward-driven learning.

Time series are often complex and rich in information but sparsely labeled and therefore challenging to model. In this paper, we propose a self-supervised framework for learning robust and generalizable representations for time series. Our approach, called Temporal Neighborhood Coding (TNC), takes advantage of the local smoothness of a signal's generative process to define neighborhoods in time with stationary properties. Using a debiased contrastive objective, our framework learns time series representations by ensuring that in the encoding space, the distribution of signals from within a neighborhood is distinguishable from the distribution of non-neighboring signals. Our motivation stems from the medical field, where the ability to model the dynamic nature of time series data is especially valuable for identifying, tracking, and predicting the underlying patients' latent states in settings where labeling data is practically impossible. We compare our method to recently developed unsupervised representation learning approaches and demonstrate superior performance on clustering and classification tasks for multiple datasets.