State-of-the-art visual localization approaches generally rely on a first image retrieval step whose role is crucial. Yet, retrieval often struggles when facing varying conditions, due to e.g. weather or time of day, with dramatic consequences on the visual localization accuracy. In this paper, we improve this retrieval step and tailor it to the final localization task. Among the several changes we advocate for, we propose to synthesize variants of the training set images, obtained from generative text-to-image models, in order to automatically expand the training set towards a number of nameable variations that particularly hurt visual localization. After expanding the training set, we propose a training approach that leverages the specificities and the underlying geometry of this mix of real and synthetic images. We experimentally show that those changes translate into large improvements for the most challenging visual localization datasets.

Visual understanding of the world goes beyond the semantics and flat structure of individual images. In this work, we aim to capture both the 3D structure and dynamics of real-world scenes from monocular real-world videos. Our Dynamic Scene Transformer (DyST) model leverages recent work in neural scene representation to learn a latent decomposition of monocular real-world videos into scene content, per-view scene dynamics, and camera pose. This separation is achieved through a novel co-training scheme on monocular videos and our new synthetic dataset DySO. DyST learns tangible latent representations for dynamic scenes that enable view generation with separate control over the camera and the content of the scene.

A promising approach for improving the performance of vision-language models like CLIP for image classification is to extend the class descriptions (i.e., prompts) with related attributes, e.g., using brown sparrow instead of sparrow. However, current zero-shot methods select a subset of attributes regardless of commonalities between the target classes, potentially providing no useful information that would have helped to distinguish between them. For instance, they may use color instead of bill shape to distinguish between sparrows and wrens, which are both brown. We propose Follow-up Differential Descriptions (FuDD), a zero-shot approach that tailors the class descriptions to each dataset and leads to additional attributes that better differentiate the target classes. FuDD first identifies the ambiguous classes for each image, and then uses a Large Language Model (LLM) to generate new class descriptions that differentiate between them. The new class descriptions resolve the initial ambiguity and help predict the correct label. In our experiments, FuDD consistently outperforms generic description ensembles and naive LLM-generated descriptions on 12 datasets. We show that differential descriptions are an effective tool to resolve class ambiguities, which otherwise significantly degrade the performance. We also show that high quality natural language class descriptions produced by FuDD result in comparable performance to few-shot adaptation methods.

Proximal operators are ubiquitous in inverse problems, commonly appearing as part of algorithmic strategies to regularize problems that are otherwise ill-posed. Modern deep learning models have been brought to bear for these tasks too, as in the framework of plug-and-play or deep unrolling, where they loosely resemble proximal operators. Yet, something essential is lost in employing these purely data-driven approaches: there is no guarantee that a general deep network represents the proximal operator of any function, nor is there any characterization of the function for which the network might provide some approximate proximal. This not only makes guaranteeing convergence of iterative schemes challenging but, more fundamentally, complicates the analysis of what has been learned by these networks about their training data. Herein we provide a framework to develop learned proximal networks (LPN), prove that they provide exact proximal operators for a data-driven nonconvex regularizer, and show how a new training strategy, dubbed proximal matching, provably promotes the recovery of the log-prior of the true data distribution. Such LPN provide general, unsupervised, expressive proximal operators that can be used for general inverse problems with convergence guarantees. We illustrate our results in a series of cases of increasing complexity, demonstrating that these models not only result in state-of-the-art performance, but provide a window into the resulting priors learned from data.

Building cross-modal applications is challenging due to limited paired multi-modal data. Recent works have shown that leveraging a pre-trained multi-modal contrastive representation space enables cross-modal tasks to be learned from uni-modal data. This is based on the assumption that contrastive optimization makes embeddings from different modalities interchangeable. However, this assumption is under-explored due to the poorly understood geometry of the multi-modal contrastive space, where a modality gap exists. In our study, we provide a theoretical explanation of this space's geometry and introduce a three-step method, $C^3$ (Connect, Collapse, Corrupt), to bridge the modality gap, enhancing the interchangeability of embeddings. Our $C^3$ method significantly improves cross-modal learning from uni-modal data, achieving state-of-the-art results on zero-shot image / audio / video captioning and text-to-image generation.

Implicit neural representations (INRs) have arisen as useful methods for representing signals on Euclidean domains. By parameterizing an image as a multilayer perceptron (MLP) on Euclidean space, INRs effectively couple spatial and spectral features of the represented signal in a way that is not obvious in the usual discrete representation. Although INRs using sinusoidal activation functions have been studied in terms of Fourier theory, recent works have shown the advantage of using wavelets instead of sinusoids as activation functions, due to their ability to simultaneously localize in both frequency and space. In this work, we approach such INRs and demonstrate how they resolve high-frequency features of signals from coarse approximations performed in the first layer of the MLP. This leads to multiple prescriptions for the design of INR architectures, including the use of progressive wavelets, decoupling of low and high-pass approximations, and initialization schemes based on the singularities of the target signal.

It is believed that in knowledge distillation (KD), the role of the teacher is to provide an estimate for the unknown Bayes conditional probability distribution (BCPD) to be used in the student training process. Conventionally, this estimate is obtained by training the teacher using maximum log-likelihood (MLL) method. To improve this estimate for KD, in this paper we introduce the concept of conditional mutual information (CMI) into the estimation of BCPD and propose a novel estimator called the maximum CMI (MCMI) method. Specifically, in MCMI estimation, both the log-likelihood and CMI of the teacher are simultaneously maximized when the teacher is trained. In fact, maximizing the teacher's CMI value ensures that the teacher can effectively capture the contextual information within the images, and for visualizing this information, we deploy Eigen-CAM. Via conducting a thorough set of experiments, we show that by employing a teacher trained via MCMI estimation rather than one trained via MLL estimation in various state-of-the-art KD frameworks, the student's classification accuracy consistently increases, with the gain of up to 3.32\%. This suggests that the teacher's BCPD estimate provided by MCMI method is more accurate than that provided by MLL method. In addition, we show that such improvements in the student's accuracy are more drastic in zero-shot and few-shot settings. Notably, the student's accuracy increases with the gain of up to 5.72\% when 5\% of the training samples are available to student (few-shot), and increases from 0\% to as high as 84\% for an omitted class (zero-shot).

One-shot Federated Learning (OFL) has become a promising learning paradigm, enabling the training of a global server model via a single communication round. In OFL, the server model is aggregated by distilling knowledge from all client models (the ensemble), which are also responsible for synthesizing samples for distillation. In this regard, advanced works show that the performance of the server model is intrinsically related to the quality of the synthesized data and the ensemble model. To promote OFL, we introduce a novel framework, Co-Boosting, in which synthesized data and the ensemble model mutually enhance each other progressively. Specifically, Co-Boosting leverages the current ensemble model to synthesize higher-quality samples in an adversarial attack manner. These hard samples are then employed to promote the quality of the ensemble model by adjusting the ensembling weights for each client model. Consequently, Co-Boosting periodically achieves high-quality data and ensemble models. Extensive experiments demonstrate that Co-Boosting can substantially outperform existing baselines under various settings. Moreover, Co-Boosting eliminates the need for adjustments to the client's local training, requires no additional data or model transmission, and allows client models to have heterogeneous architectures.

In this study, we investigate the DIstribution Correction Estimation (DICE) methods, an important line of work in offline reinforcement learning (RL) and imitation learning (IL). DICE-based methods impose state-action-level behavior constraint, which is an ideal choice for offline learning. However, they typically perform much worse than current state-of-the-art (SOTA) methods that solely use action-level behavior constraint. After revisiting DICE-based methods, we find there exist two gradient terms when learning the value function using true-gradient update: forward gradient (taken on the current state) and backward gradient (taken on the next state). Using forward gradient bears a large similarity to many offline RL methods, and thus can be regarded as applying action-level constraint. However, directly adding the backward gradient may degenerate or cancel out its effect if these two gradients have conflicting directions. To resolve this issue, we propose a simple yet effective modification that projects the backward gradient onto the normal plane of the forward gradient, resulting in an orthogonal-gradient update, a new learning rule for DICE-based methods. We conduct thorough theoretical analyses and find that the projected backward gradient brings state-level behavior regularization, which reveals the mystery of DICE-based methods: the value learning objective does try to impose state-action-level constraint, but needs to be used in a corrected way. Through toy examples and extensive experiments on complex offline RL and IL tasks, we demonstrate that DICE-based methods using orthogonal-gradient updates achieve SOTA performance and great robustness.

Regularized reinforcement learning (RL), particularly the entropy-regularized kind, has gained traction in optimal control and inverse RL. While standard unregularized RL methods remain unaffected by changes in the number of actions, we show that it can severely impact their regularized counterparts. This paper demonstrates the importance of decoupling the regularizer from the action space: that is, to maintain a consistent level of regularization regardless of how many actions are involved to avoid over-regularization. Whereas the problem can be avoided by introducing a task-specific temperature parameter, it is often undesirable and cannot solve the problem when action spaces are state-dependent. In the state-dependent action context, different states with varying action spaces are regularized inconsistently. We introduce two solutions: a static temperature selection approach and a dynamic counterpart, universally applicable where this problem arises. Implementing these changes improves performance on the DeepMind control suite in static and dynamic temperature regimes and a biological design task.

It is now possible to reconstruct dynamic human motion and shape from a sparse set of cameras using Neural Radiance Fields (NeRF) driven by an underlying skeleton. However, a challenge remains to model the deformation of cloth and skin in relation to skeleton pose. Unlike existing avatar models that are learned implicitly or rely on a proxy surface, our approach is motivated by the observation that different poses necessitate unique frequency assignments. Neglecting this distinction yields noisy artifacts in smooth areas or blurs fine-grained texture and shape details in sharp regions. We develop a two-branch neural network that is adaptive and explicit in the frequency domain. The first branch is a graph neural network that models correlations among body parts locally, taking skeleton pose as input. The second branch combines these correlation features to a set of global frequencies and then modulates the feature encoding. Our experiments demonstrate that our network outperforms state-of-the-art methods in terms of preserving details and generalization capabilities. Our code is available at https://github.com/ChunjinSong/PM-Avatars.

Human intelligence is adept at absorbing valuable insights from external knowledge.This capability is equally crucial for artificial intelligence. In contrast, classical reinforcement learning agents lack such capabilities and often resort to extensive trial and error to explore the environment. This paper introduces $\textbf{PAE}$: $\textbf{P}$lanner-$\textbf{A}$ctor-$\textbf{E}$valuator, a novel framework for teaching agents to $\textit{learn to absorb external knowledge}$. PAE integrates the Planner's knowledge-state alignment mechanism, the Actor's mutual information skill control, and the Evaluator's adaptive intrinsic exploration reward to achieve 1) effective cross-modal information fusion, 2) enhanced linkage between knowledge and state, and 3) hierarchical mastery of complex tasks.Comprehensive experiments across 11 challenging tasks from the BabyAI and MiniHack environment suites demonstrate PAE's superior exploration efficiency with good interpretability.

In this paper, we propose a policy gradient method for confounded partially observable Markov decision processes (POMDPs) with continuous state and observation spaces in the offline setting. We first establish a novel identification result to non-parametrically estimate any history-dependent policy gradient under POMDPs using the offline data. The identification enables us to solve a sequence of conditional moment restrictions and adopt the min-max learning procedure with general function approximation for estimating the policy gradient. We then provide a finite-sample non-asymptotic bound for estimating the gradient uniformly over a pre-specified policy class in terms of the sample size, length of horizon, concentratability coefficient and the measure of ill-posedness in solving the conditional moment restrictions. Lastly, by deploying the proposed gradient estimation in the gradient ascent algorithm, we show the global convergence of the proposed algorithm in finding the history-dependent optimal policy under some technical conditions. To the best of our knowledge, this is the first work studying the policy gradient method for POMDPs under the offline setting.

We study the representation complexity of model-based and model-free reinforcement learning (RL) in the context of circuit complexity. We prove theoretically that there exists a broad class of MDPs such that their underlying transition and reward functions can be represented by constant depth circuits with polynomial size, while the optimal $Q$-function suffers an exponential circuit complexity in constant-depth circuits. By drawing attention to the approximation errors and building connections to complexity theory, our theory provides unique insights into why model-based algorithms usually enjoy better sample complexity than model-free algorithms from a novel representation complexity perspective: in some cases, the ground-truth rule (model) of the environment is simple to represent, while other quantities, such as $Q$-function, appear complex. We empirically corroborate our theory by comparing the approximation error of the transition kernel, reward function, and optimal $Q$-function in various Mujoco environments, which demonstrates that the approximation errors of the transition kernel and reward function are consistently lower than those of the optimal $Q$-function. To the best of our knowledge, this work is the first to study the circuit complexity of RL, which also provides a rigorous framework for future research.

Distributed optimization (DO) approaches for saddle point problems (SPP) have recently gained in popularity due to the critical role they play in machine learning (ML). Existing works mostly target smooth unconstrained objectives in Euclidean space, whereas ML problems often involve constraints or non-smooth regularization, which results in a need for composite optimization. Moreover, although non-smooth regularization often serves to induce structure (e.g., sparsity), standard aggregation schemes in distributed optimization break this structure. Addressing these issues, we propose Federated Dual Extrapolation (FeDualEx), an extra-step primal-dual algorithm with local updates, which is the first of its kind to encompass both saddle point optimization and composite objectives under the distributed paradigm. Using a generalized notion of Bregman divergence, we analyze its convergence and communication complexity in the homogeneous setting. Furthermore, the empirical evaluation demonstrates the effectiveness of FeDualEx for inducing structure in these challenging settings.

Large deep learning models have achieved impressive performance across a range of applications. However, their large memory requirements, including parameter memory and activation memory, have become a significant challenge for their practical serving. While existing methods mainly address parameter memory, the importance of activation memory has been overlooked. Especially for long input sequences, activation memory is expected to experience a significant exponential growth as the length of sequences increases. In this approach, we propose AutoChunk, an automatic and adaptive compiler system that efficiently reduces activation memory for long sequence inference by chunk strategies. The proposed system generates chunk plans by optimizing through multiple stages. In each stage, the chunk search pass explores all possible chunk candidates and the chunk selection pass identifies the optimal one. At runtime, AutoChunk employs code generation to automatically apply chunk strategies. The experiments demonstrate that AutoChunk can reduce over 80% of activation memory while maintaining speed loss within 10%, extend max sequence length by 3.2x to 11.7x, and outperform state-of-the-art methods by a large margin.

Modern ML applications increasingly rely on complex deep learning models and large datasets. There has been an exponential growth in the amount of computation needed to train the largest models. Therefore, to scale computation and data, these models are inevitably trained in a distributed manner in clusters of nodes, and their updates are aggregated before being applied to the model. However, a distributed setup is prone to Byzantine failures of individual nodes, components, and software. With data augmentation added to these settings, there is a critical need for robust and efficient aggregation systems. We define the quality of workers as reconstruction ratios $\in (0,1]$, and formulate aggregation as a Maximum Likelihood Estimation procedure using Beta densities. We show that the Regularized form of log-likelihood wrt subspace can be approximately solved using iterative least squares solver, and provide convergence guarantees using recent Convex Optimization landscape results. Our empirical findings demonstrate that our approach significantly enhances the robustness of state-of-the-art Byzantine resilient aggregators. We evaluate our method in a distributed setup with a parameter server, and show simultaneous improvements in communication efficiency and accuracy across various tasks.

Bayesian Optimization (BO) is typically used to optimize an unknown function $f$ that is noisy and costly to evaluate, by exploiting an acquisition function that must be maximized at each optimization step. Even if provably asymptotically optimal BO algorithms are efficient at optimizing low-dimensional functions, scaling them to high-dimensional spaces remains an open problem, often tackled by assuming an additive structure for $f$. By doing so, BO algorithms typically introduce additional restrictive assumptions on the additive structure that reduce their applicability domain. This paper contains two main contributions: (i) we relax the restrictive assumptions on the additive structure of $f$ without weakening the maximization guarantees of the acquisition function, and (ii) we address the over-exploration problem for decentralized BO algorithms. To these ends, we propose DuMBO, an asymptotically optimal decentralized BO algorithm that achieves very competitive performance against state-of-the-art BO algorithms, especially when the additive structure of $f$ comprises high-dimensional factors.

We study contextual stochastic optimization problems. Optimization problems have uncertain parameters stemming from unknown, context-dependent, distributions. Due to the inherent uncertainty in these problems, one is often interested not only in minimizing expected cost, but also to be robust and protect against worst case scenarios. We propose a novel method that combines the learning stage with knowledge of the downstream optimization task. The method prescribes decisions which aim to maximize the likelihood that the cost is below a (user-controlled) threshold. The key idea is (1) to discretize the feasible region into subsets so that the uncertain objective function can be well approximated deterministically within each subset, and (2) devise a secondary optimization problem to prescribe decisions by integrating the individual approximations determined in step (1). We provide theoretical guarantees bounding the underlying regret of decisions proposed by our method. In addition, experimental results demonstrate that our approach is competitive in terms of average regret and yields more robust solutions than other methods proposed in the literature, including up to 20 times lower worst-case cost on a real-world electricity generation problem.

Bayesian optimization is a highly efficient approach to optimizing objective functions which are expensive to query. These objectives are typically represented by Gaussian process (GP) surrogate models which are easy to optimize and support exact inference. While standard GP surrogates have been well-established in Bayesian optimization, Bayesian neural networks (BNNs) have recently become practical function approximators, with many benefits over standard GPs such as the ability to naturally handle non-stationarity and learn representations for high-dimensional data. In this paper, we study BNNs as alternatives to standard GP surrogates for optimization. We consider a variety of approximate inference procedures for finite-width BNNs, including high-quality Hamiltonian Monte Carlo, low-cost stochastic MCMC, and heuristics such as deep ensembles. We also consider infinite-width BNNs, linearized Laplace approximations, and partially stochastic models such as deep kernel learning. We evaluate this collection of surrogate models on diverse problems with varying dimensionality, number of objectives, non-stationarity, and discrete and continuous inputs. We find: (i) the ranking of methods is highly problem dependent, suggesting the need for tailored inductive biases; (ii) HMC is the most successful approximate inference procedure for fully stochastic BNNs; (iii) full stochasticity may be unnecessary as deep kernel learning is relatively competitive; (iv) deep ensembles perform relatively poorly; (v) infinite-width BNNs are particularly promising, especially in high dimensions.

Event cameras are bio-inspired sensors that respond to local changes in light intensity and feature low latency, high energy efficiency, and high dynamic range. Meanwhile, Spiking Neural Networks (SNNs) have gained significant attention due to their remarkable efficiency and fault tolerance. By synergistically harnessing the energy efficiency inherent in event cameras and the spike-based processing capabilities of SNNs, their integration could enable ultra-low-power application scenarios, such as action recognition tasks. However, existing approaches often entail converting asynchronous events into conventional frames, leading to additional data mapping efforts and a loss of sparsity, contradicting the design concept of SNNs and event cameras. To address this challenge, we propose SpikePoint, a novel end-to-end point-based SNN architecture. SpikePoint excels at processing sparse event cloud data, effectively extracting both global and local features through a singular-stage structure. Leveraging the surrogate training method, SpikePoint achieves high accuracy with few parameters and maintains low power consumption, specifically employing the identity mapping feature extractor on diverse datasets. SpikePoint achieves state-of-the-art (SOTA) performance on four event-based action recognition datasets using only 16 timesteps, surpassing other SNN methods. Moreover, it also achieves SOTA performance across all methods on three datasets, utilizing approximately 0.3 % of the parameters and 0.5 % of power consumption employed by artificial neural networks (ANNs). These results emphasize the significance of Point Cloud and pave the way for many ultra-low-power event-based data processing applications.

We study differentially private (DP) algorithms for recovering clusters in well-clustered graphs, which are graphs whose vertex set can be partitioned into a small number of sets, each inducing a subgraph of high inner conductance and small outer conductance. Such graphs have widespread application as a benchmark in the theoretical analysis of spectral clustering.We provide an efficient ($\epsilon$,$\delta$)-DP algorithm tailored specifically for such graphs. Our algorithm draws inspiration from the recent work of Chen et al., who developed DP algorithms for recovery of stochastic block models in cases where the graph comprises exactly two nearly-balanced clusters. Our algorithm works for well-clustered graphs with $k$ nearly-balanced clusters, and the misclassification ratio almost matches the one of the best-known non-private algorithms. We conduct experimental evaluations on datasets with known ground truth clusters to substantiate the prowess of our algorithm. We also show that any (pure) $\epsilon$-DP algorithm would result in substantial error.

Existing losses used in deep metric learning (DML) for image retrieval often lead to highly non-uniform intra-class and inter-class representation structures across test classes and data distributions. When combined with the common practice of using a fixed threshold to declare a match, this gives rise to significant performance variations in terms of false accept rate (FAR) and false reject rate (FRR) across test classes and data distributions. We define this issue in DML as threshold inconsistency. In real-world applications, such inconsistency often complicates the threshold selection process when deploying large-scale image retrieval systems. To measure this inconsistency, we propose a novel variance-based metric called Operating-Point-Inconsistency-Score (OPIS) that quantifies the variance in the operating characteristics across classes. Using the OPIS metric, we find that achieving high accuracy levels in a DML model does not automatically guarantee threshold consistency. In fact, our investigation reveals a Pareto frontier in the high-accuracy regime, where existing methods to improve accuracy often lead to degradation in threshold consistency. To address this trade-off, we introduce the Threshold-Consistent Margin (TCM) loss, a simple yet effective regularization technique that promotes uniformity in representation structures across classes by selectively penalizing hard sample pairs. Large-scale experiments demonstrate TCM's effectiveness in enhancing threshold consistency while preserving accuracy, simplifying the threshold selection process in practical DML settings.

As a technique to bridge logit matching and probability distribution matching, temperature scaling plays a pivotal role in knowledge distillation (KD). Conventionally, temperature scaling is applied to both teacher's logits and student's logits in KD. Motivated by some recent works, in this paper, we drop instead temperature scaling on the student side, and systematically study the resulting variant of KD, dubbed transformed teacher matching (TTM). By reinterpreting temperature scaling as a power transform of probability distribution, we show that in comparison with the original KD, TTM has an inherent Rényi entropy term in its objective function, which serves as an extra regularization term. Extensive experiment results demonstrate that thanks to this inherent regularization, TTM leads to trained students with better generalization than the original KD. To further enhance student's capability to match teacher's power transformed probability distribution, we introduce a sample-adaptive weighting coefficient into TTM, yielding a novel distillation approach dubbed weighted TTM (WTTM). It is shown, by comprehensive experiments, that although WTTM is simple, it is effective, improves upon TTM, and achieves state-of-the-art accuracy performance. Our source code is available at https://github.com/zkxufo/TTM.

Neural Implicit Representation (NIR) has recently gained significant attention due to its remarkable ability to encode complex and high-dimensional data into representation space and easily reconstruct it through a trainable mapping function. However, NIR methods assume a one-to-one mapping between the target data and representation models regardless of data relevancy or similarity. This results in poor generalization over multiple complex data and limits their efficiency and scalability. Motivated by continual learning, this work investigates how to accumulate and transfer neural implicit representations for multiple complex video data over sequential encoding sessions. To overcome the limitation of NIR, we propose a novel method, Progressive Fourier Neural Representation (PFNR), that aims to find an adaptive and compact sub-module in Fourier space to encode videos in each training session. This sparsified neural encoding allows the neural network to hold free weights, enabling an improved adaptation for future videos. In addition, when learning a representation for a new video, PFNR transfers the representation of previous videos with frozen weights. This design allows the model to continuously accumulate high-quality neural representations for multiple videos while ensuring lossless decoding that perfectly preserves the learned representations for previous videos. We validate our PFNR method on the UVG8/17 and DAVIS50 video sequence benchmarks and achieve impressive performance gains over strong continual learning baselines.

Reliably reconstructing physical fields from sparse sensor data is a challenge that frequenty arises in many scientific domains. In practice, the process generating the data is often not known to sufficient accuracy. Therefore, there is a growing interest in the deep neural network route to the problem. In this work, we present a novel approach that learns a continuous representation of the field using implicit neural representations (INR). Specifically, after factorizing spatiotemporal variability into spatial and temporal components using the technique of separation of variables, the method learns relevant basis functions from sparsely sampled irregular data points to thus develop a continuous representation of the data. In experimental evaluations, the proposed model outperforms recent INR methods, offering superior reconstruction quality on simulation data from a state of the art climate model and on a second dataset that comprises of ultra-high resolution satellite-based sea surface temperature field. Website for the Project: Both data and code are accessible.

In this paper, we introduce FITS, a lightweight yet powerful model for time series analysis. Unlike existing models that directly process raw time-domain data, FITS operates on the principle that time series can be manipulated through interpolation in the complex frequency domain, achieving performance comparable to state-of-the-art models for time series forecasting and anomaly detection tasks. Notably, FITS accomplishes this with a svelte profile of just about $10k$ parameters, making it ideally suited for edge devices and paving the way for a wide range of applications. The code is available for review at: \url{https://anonymous.4open.science/r/FITS}.

Masked time series modeling has recently gained much attention as a self-supervised representation learning strategy for time series.Inspired by masked image modeling in computer vision, recent works first patchify and partially mask out time series, and then train Transformers to capture the dependencies between patches by predicting masked patches from unmasked patches.However, we argue that capturing such patch dependencies might not be an optimal strategy for time series representation learning;rather, learning to embed patches independently results in better time series representations.Specifically, we propose to use 1) the simple patch reconstruction task, which autoencode each patch without looking at other patches, and 2) the simple patch-wise MLP that embeds each patch independently.In addition, we introduce complementary contrastive learning to hierarchically capture adjacent time series information efficiently.Our proposed method improves time series forecasting and classification performance compared to state-of-the-art Transformer-based models, while it is more efficient in terms of the number of parameters and training time.Code is available at this repository: https://github.com/seunghan96/pits.

Despite the widespread empirical success of ResNet, the generalization properties of deep ResNet are rarely explored beyond the lazy training regime. In this work, we investigate scaled ResNet in the limit of infinitely deep and wide neural networks, of which the gradient flow is described by a partial differential equation in the large-neural network limit, i.e., the mean-field regime. To derive the generalization bounds under this setting, our analysis necessitates a shift from the conventional time-invariant Gram matrix employed in the lazy training regime to a time-variant, distribution-dependent version. To this end, we provide a global lower bound on the minimum eigenvalue of the Gram matrix under the mean-field regime. Besides, for the traceability of the dynamic of Kullback-Leibler (KL) divergence, we establish the linear convergence of the empirical error and estimate the upper bound of the KL divergence over parameters distribution. Finally, we build the uniform convergence for generalization bound via Rademacher complexity. Our results offer new insights into the generalization ability of deep ResNet beyond the lazy training regime and contribute to advancing the understanding of the fundamental properties of deep neural networks.

We formalize and study a phenomenon called *feature collapse* that makes precise the intuitive idea that entities playing a similar role in a learning task receive similar representations. As feature collapse requires a notion of task, we leverage a synthetic task in which a learner must classify `sentences' constituted of $L$ tokens. We start by showing experimentally that feature collapse goes hand in hand with generalization. We then prove that, in the large sample limit, distinct tokens that play identical roles in the task receive identical local feature representations in the first layer of the network. This analysis shows that a neural network trained on this task provably learns interpretable and meaningful representations in its first layer.

Recent work by Power et al. (2022) highlighted a surprising "grokking" phenomenon in learning arithmetic tasks: a neural net first "memorizes" the training set, resulting in perfect training accuracy but near-random test accuracy, and after training for sufficiently longer, it suddenly transitions to perfect test accuracy. This paper studies the grokking phenomenon in theoretical setups and shows that it can be induced by a dichotomy of early and late phase implicit biases. Specifically, when training homogeneous neural nets with large initialization and small weight decay on both classification and regression tasks, we prove that the training process gets trapped at a solution corresponding to a kernel predictor for a long time, and then a very sharp transition to min-norm/max-margin predictors occurs, leading to a dramatic change in test accuracy.

In this work we present an approach for generating alternative text (or alt-text) descriptions for images shared on social media, specifically Twitter. More than just a special case of image captioning, alt-text is both more literally descriptive and context-specific. Also critically, images posted to Twitter are often accompanied by user-written text that despite not necessarily describing the image may provide useful context that if properly leveraged can be informative. We address this task with a multimodal model that conditions on both textual information from the associated social media post as well as visual signal from the image, and demonstrate that the utility of these two information sources stacks. We put forward a new dataset of 371k images paired with alt-text and tweets scraped from Twitter and evaluate on it across a variety of automated metrics as well as human evaluation. We show that our approach of conditioning on both tweet text and visual information significantly outperforms prior work, by more than 2x on BLEU@4.

Deep neural networks with feature learning have shown surprising generalization performance in high dimensional settings, but it has not been fully understood how and when they enjoy the benefit of feature learning. In this paper, we theoretically analyze the statistical properties of the benefits from feature learning in a two-layer linear neural network with multiple outputs in a high-dimensional setting. For that purpose, we propose a new criterion that allows feature learning of a two-layer linear neural network in a high-dimensional setting. Interestingly, we can show that models with smaller values of the criterion generalize even in situations where normal ridge regression fails to generalize. This is because the proposed criterion contains a proper regularization for the feature mapping and acts as an upper bound on the predictive risk. As an important characterization of the criterion, the two-layer linear neural network that minimizes this criterion can achieve the optimal Bayes risk that is determined by the distribution of the true signals across the multiple outputs. To the best of our knowledge, this is the first study to specifically identify the conditions under which a model obtained by proper feature learning can outperform normal ridge regression in a high-dimensional multiple-output linear regression problem.

Masked autoencoders have become popular training paradigms for self-supervised visual representation learning. These models randomly mask a portion of the input and reconstruct the masked portion according to assigned target representations. In this paper, we show that a careful choice of the target representation is unnecessary for learning good visual representation since different targets tend to derive similarly behaved models. Driven by this observation, we propose a multi-stage masked distillation pipeline and use a randomly initialized model as the teacher, enabling us to effectively train high-capacity models without any effort to carefully design the target representation. On various downstream tasks, the proposed method to perform masked knowledge distillation with bootstrapped teachers (dbot) outperforms previous self-supervised methods by nontrivial margins. We hope our findings, as well as the proposed method, could motivate people to rethink the roles of target representations in pre-training masked autoencoders.

The effect of underrepresentation on the performance of minority groups is known to be a serious problem in supervised learning settings; however, it has been underexplored so far in the context of self-supervised learning (SSL). In this paper, we demonstrate that contrastive learning (CL), a popular variant of SSL, tends to collapse representations of minority groups with certain majority groups. We refer to this phenomenon as representation harm and demonstrate it on image and text datasets using the corresponding popular CL methods. Furthermore, our causal mediation analysis of allocation harm on a downstream classification task reveals that representation harm is partly responsible for it, thus emphasizing the importance of studying and mitigating representation harm. Finally, we provide a theoretical explanation for representation harm using a stochastic block model that leads to a representational neural collapse in a contrastive learning setting.

High accuracy, low latency and high energy efficiency represent a set of contradictory goals when searching for system solutions for image classification and detection. While high-quality images naturally result in more precise detection and classification, they also result in a heavier computational workload for imaging and processing, reduce camera refresh rates, and increase the volume of data communication between the camera and processor. Taking inspiration from the foveal-peripheral sampling mechanism, saccade mechanism observed in the human visual system and the filling-in phenomena of brain, we have developed an active scene reconstruction architecture based on multiple foveal views. This model stitches together information from foveal and peripheral vision, which are sampled from multiple glances. Assisted by a reinforcement learning-based saccade mechanism, our model reduces the required input pixels by over 90\% per frame while maintaining the same level of performance in image recognition as with the original images. We evaluated the effectiveness of our model using the GTSRB dataset and the ImageNet dataset. Using an equal number of input pixels, our study demonstrates a 5\% higher image recognition accuracy compared to state-of-the-art foveal-peripheral vision systems. Furthermore, we demonstrate that our foveal sampling/saccadic scene reconstruction model exhibits significantly lower complexity and higher data efficiency during the training phase compared to existing approaches.

Contrastive Learning (CL) has emerged as one of the most successful paradigms for unsupervised visual representation learning, yet it often depends on intensive manual data augmentations. With the rise of generative models, especially diffusion models, the ability to generate realistic images close to the real data distribution has been well recognized. These generated high-equality images have been successfully applied to enhance contrastive representation learning, a technique termed ``data inflation''. However, we find that the generated data (even from a good diffusion model like DDPM) may sometimes even harm contrastive learning. We investigate the causes behind this failure from the perspective of both data inflation and data augmentation. For the first time, we reveal the complementary roles that stronger data inflation should be accompanied by weaker augmentations, and vice versa. We also provide rigorous theoretical explanations for these phenomena via deriving its generalization bounds under data inflation. Drawing from these insights, we propose Adaptive Inflation (AdaInf), a purely data-centric strategy without introducing any extra computation cost. On benchmark datasets, AdaInf can bring significant improvements for various contrastive learning methods. Notably, without using external data, AdaInf obtains 94.70% linear accuracy on CIFAR-10 with SimCLR, setting a new record that surpasses many sophisticated methods. Code is available at https://github.com/PKU-ML/adainf.

Recent deep neural networks (DNNs) have came to rely on vast amounts of training data, providing an opportunity for malicious attackers to exploit and contaminate the data to carry out backdoor attacks. However, existing backdoor attack methods make unrealistic assumptions, assuming that all training data comes from a single source and that attackers have full access to the training data. In this paper, we introduce a more realistic attack scenario where victims collect data from multiple sources, and attackers cannot access the complete training data. We refer to this scenario as $\textbf{data-constrained backdoor attacks}$. In such cases, previous attack methods suffer from severe efficiency degradation due to the $\textbf{entanglement}$ between benign and poisoning features during the backdoor injection process. To tackle this problem, we introduce three CLIP-based technologies from two distinct streams: $\textit{Clean Feature Suppression}$ and $\textit{Poisoning Feature Augmentation}$. The results demonstrate remarkable improvements, with some settings achieving over $\textbf{100}$% improvement compared to existing attacks in data-constrained scenarios.

Foundation models like CLIP are trained on hundreds of millions of samples and effortlessly generalize to new tasks and inputs. Out of the box, CLIP shows stellar zero-shot and few-shot capabilities on a wide range of out-of-distribution (OOD) benchmarks, which prior works attribute mainly to today's large and comprehensive training dataset (like LAION). However, it is questionable how meaningful terms like out-of-distribution generalization are for CLIP as it seems likely that web-scale datasets like LAION simply contain many samples that are similar to common OOD benchmarks originally designed for ImageNet. To test this hypothesis, we retrain CLIP on pruned LAION splits that replicate ImageNet’s train-test similarity with respect to common OOD benchmarks. While we observe a performance drop on some benchmarks, surprisingly, CLIP’s overall performance remains high. This shows that high train-test similarity is insufficient to explain CLIP’s OOD performance, and other properties of the training data must drive CLIP to learn more generalizable representations. Additionally, by pruning data points that are dissimilar to the OOD benchmarks, we uncover a 100M split of LAION (¼ of its original size) on which CLIP can be trained to match its original OOD performance.

Are camera poses necessary for multi-view 3D modeling? Existing approaches predominantly assume access to accurate camera poses. While this assumption might hold for dense views, accurately estimating camera poses for sparse views is often elusive. Our analysis reveals that noisy estimated poses lead to degraded performance for existing sparse-view 3D modeling methods. To address this issue, we present LEAP, a novel pose-free approach, therefore challenging the prevailing notion that camera poses are indispensable. LEAP discards pose-based operations and learns geometric knowledge from data. LEAP is equipped with a neural volume, which is shared across scenes and is parameterized to encode geometry and texture priors. For each incoming scene, we update the neural volume by aggregating 2D image features in a feature-similarity-driven manner. The updated neural volume is decoded into the radiance field, enabling novel view synthesis from any viewpoint. On both object-centric and bounded scene-level datasets, we show that LEAP significantly outperforms prior methods when they employ predicted poses from state-of-the-art pose estimators. Notably, LEAP performs on par with prior approaches that use ground-truth poses while running $400\times$ faster than PixelNeRF. We show LEAP generalizes to novel object categories and scenes, and learns knowledge closely resembles epipolar geometry.

Despite the rapid development of machine learning algorithms for domain generalization (DG), there is no clear empirical evidence that the existing DG algorithms outperform the classic empirical risk minimization (ERM) across standard benchmarks. To better understand this phenomenon, we investigate whether there are benefits of DG algorithms over ERM through the lens of label noise.Specifically, our finite-sample analysis reveals that label noise exacerbates the effect of spurious correlations for ERM, undermining generalization. Conversely, we illustrate that DG algorithms exhibit implicit label-noise robustness during finite-sample training even when spurious correlation is present.Such desirable property helps mitigate spurious correlations and improve generalization in synthetic experiments. However, additional comprehensive experiments on real-world benchmark datasets indicate that label-noise robustness does not necessarily translate to better performance compared to ERM. We conjecture that the failure mode of ERM arising from spurious correlations may be less pronounced in practice. Our code is available at https://github.com/qiaoruiyt/NoiseRobustDG

It is widely recognized that deep learning models lack robustness to adversarial examples. An intriguing property of adversarial examples is that they can transfer across different models, which enables black-box attacks without any knowledge of the victim model. An effective strategy to improve the transferability is attacking an ensemble of models. However, previous works simply average the outputs of different models, lacking an in-depth analysis on how and why model ensemble methods can strongly improve the transferability. In this paper, we rethink the ensemble in adversarial attacks and define the common weakness of model ensemble with two properties: 1) the flatness of loss landscape; and 2) the closeness to the local optimum of each model. We empirically and theoretically show that both properties are strongly correlated with the transferability and propose a Common Weakness Attack (CWA) to generate more transferable adversarial examples by promoting these two properties. Experimental results on both image classification and object detection tasks validate the effectiveness of our approach to improving the adversarial transferability, especially when attacking adversarially trained models. We also successfully apply our method to attack a black-box large vision-language model -- Google's Bard, showing the practical effectiveness. Code is available at \url{https://github.com/huanranchen/AdversarialAttacks}.

Scene flow estimation is the task of describing the 3D motion field between temporally successive point clouds. State-of-the-art methods use strong priors and test-time optimization techniques, but require on the order of tens of seconds to process full-size point clouds, making them unusable as computer vision primitives for real-time applications such as open world object detection. Feedforward methods are considerably faster, running on the order of tens to hundreds of milliseconds for full-size point clouds, but require expensive human supervision. To address both limitations, we propose _Scene Flow via Distillation_, a simple, scalable distillation framework that uses a label-free optimization method to produce pseudo-labels to supervise a feedforward model. Our instantiation of this framework, _ZeroFlow_, achieves **state-of-the-art** performance on the _Argoverse 2 Self-Supervised Scene Flow Challenge_ while using zero human labels by simply training on large-scale, diverse unlabeled data. At test-time, ZeroFlow is over 1000$\times$ faster than label-free state-of-the-art optimization-based methods on full-size point clouds (34 FPS vs 0.028 FPS) and over 1000$\times$ cheaper to train on unlabeled data compared to the cost of human annotation (\\$394 vs ~\\$750,000). To facilitate further research, we will release our code, trained model weights, and high quality pseudo-labels for the Argoverse 2 and Waymo Open datasets.

Memorization with neural networks is to study the expressive power of neural networks to interpolate a finite classification data set, which is closely related to the generalizability of deep learning. However, the important problem of robust memorization has not been thoroughly studied. In this paper, several basic problems about robust memorization are solved. First, we prove that it is NP-hard to compute neural networks with certain simple structures, which are robust memorization. A network hypothesis space is called optimal robust memorization for a data set if it can achieve robust memorization for any budget less than half the separation bound of the data set. Second, we explicitly construct neural networks with O(N n) parameters for optimal robust memorization of any data set with dimension n and size N . We also give a lower bound for the width of networks to achieve optimal robust memorization. Finally, we explicitly construct neural networks withO(N n log n) parameters for optimal robust memorization of any binary classification data set by controlling the Lipschitz constant of the network.

In the realm of reinforcement learning (RL), off-policy evaluation (OPE) holds a pivotal position, especially in high-stake human-involved scenarios such as e-learning and healthcare. Applying OPE to these domains is often challenging with scarce and underrepresentative offline training trajectories. Data augmentation has been a successful technique to enrich training data. However, directly employing existing data augmentation methods to OPE may not be feasible, due to the Markovian nature within the offline trajectories and the desire for generalizability across diverse target policies. In this work, we propose an offline trajectory augmentation approach to specifically facilitate OPE in human-involved scenarios. We propose sub-trajectory mining to extract potentially valuable sub-trajectories from offline data, and diversify the behaviors within those sub-trajectories by varying coverage of the state-action space. Our work was empirically evaluated in a wide array of environments, encompassing both simulated scenarios and real-world domains like robotic control, healthcare, and e-learning, where the training trajectories include varying levels of coverage of the state-action space. By enhancing the performance of a variety of OPE methods, our work offers a promising path forward for tackling OPE challenges in situations where data may be limited or underrepresentative.

Offline Goal-Conditioned Reinforcement Learning (GCRL) is tasked with learning to achieve multiple goals in an environment purely from offline datasets using sparse reward functions. Offline GCRL is pivotal for developing generalist agents capable of leveraging pre-existing datasets to learn diverse and reusable skills without hand-engineering reward functions. However, contemporary approaches to GCRL based on supervised learning and contrastive learning are often suboptimal in the offline setting. An alternative perspective on GCRL optimizes for occupancy matching, but necessitates learning a discriminator, which subsequently serves as a pseudo-reward for downstream RL. Inaccuracies in the learned discriminator can cascade, negatively influencing the resulting policy. We present a novel approach to GCRL under a new lens of mixture-distribution matching, leading to our discriminator-free method: SMORe. The key insight is combining the occupancy matching perspective of GCRL with a convex dual formulation to derive a learning objective that can better leverage suboptimal offline data. SMORe learns scores or unnormalized densities representing the importance of taking an action at a state for reaching a particular goal. SMORe is principled and our extensive experiments on the fully offline GCRL benchmark composed of robot manipulation and locomotion tasks, including high-dimensional observations, show that SMORe can outperform state-of-the-art baselines by a significant margin.

Plasticity, the ability of a neural network to evolve with new data, is crucial for high-performance and sample-efficient visual reinforcement learning (VRL). Although methods like resetting and regularization can potentially mitigate plasticity loss, the influences of various components within the VRL framework on the agent's plasticity are still poorly understood. In this work, we conduct a systematic empirical exploration focusing on three primary underexplored facets and derive the following insightful conclusions: (1) data augmentation is essential in maintaining plasticity; (2) the critic's plasticity loss serves as the principal bottleneck impeding efficient training; and (3) without timely intervention to recover critic's plasticity in the early stages, its loss becomes catastrophic. These insights suggest a novel strategy to address the high replay ratio (RR) dilemma, where exacerbated plasticity loss hinders the potential improvements of sample efficiency brought by increased reuse frequency. Rather than setting a static RR for the entire training process, we propose Adaptive RR, which dynamically adjusts the RR based on the critic’s plasticity level. Extensive evaluations indicate that Adaptive RR not only avoids catastrophic plasticity loss in the early stages but also benefits from more frequent reuse in later phases, resulting in superior sample efficiency.

The ability to learn good representations of states is essential for solving large reinforcement learning problems, where exploration, generalization, and transfer are particularly challenging. The Laplacian representation is a promising approach to address these problems by inducing informative state encoding and intrinsic rewards for temporally-extended action discovery and reward shaping. To obtain the Laplacian representation one needs to compute the eigensystem of the graph Laplacian, which is often approximated through optimization objectives compatible with deep learning approaches. These approximations, however, depend on hyperparameters that are impossible to tune efficiently, converge to arbitrary rotations of the desired eigenvectors, and are unable to accurately recover the corresponding eigenvalues. In this paper we introduce a theoretically sound objective and corresponding optimization algorithm for approximating the Laplacian representation. Our approach naturally recovers both the true eigenvectors and eigenvalues while eliminating the hyperparameter dependence of previous approximations. We provide theoretical guarantees for our method and we show that those results translate empirically into robust learning across multiple environments.

Discrete-action reinforcement learning algorithms often falter in tasks with high-dimensional discrete action spaces due to the vast number of possible actions. A recent advancement leverages value-decomposition, a concept from multi-agent reinforcement learning, to tackle this challenge. This study delves deep into the effects of this value-decomposition, revealing that whilst it curtails the over-estimation bias inherent to Q-learning algorithms, it amplifies target variance. To counteract this, we present an ensemble of critics to mitigate target variance. Moreover, we introduce a regularisation loss that helps to mitigate the effects that exploratory actions in one dimension can have on the value of optimal actions in other dimensions. Our novel algorithm, REValueD, tested on discretised versions of the DeepMind Control Suite tasks, showcases superior performance, especially in the challenging humanoid and dog tasks. We further dissect the factors influencing REValueD's performance, evaluating the significance of the regularisation loss and the scalability of REValueD with increasing sub-actions per dimension.

Learning neural operators for solving partial differential equations (PDEs) has attracted great attention due to its high inference efficiency.However, training such operators requires generating a substantial amount of labeled data, i.e., PDE problems together with their solutions.The data generation process is exceptionally time-consuming, as it involves solving numerous systems of linear equations to obtain numerical solutions to the PDEs.Many existing methods solve these systems independently without considering their inherent similarities, resulting in extremely redundant computations.To tackle this problem, we propose a novel method, namely Sorting Krylov Recycling (SKR), to boost the efficiency of solving these systems, thus significantly accelerating data generation for neural operators training.To the best of our knowledge, SKR is the first attempt to address the time-consuming nature of data generation for learning neural operators.The working horse of SKR is Krylov subspace recycling, a powerful technique for solving a series of interrelated systems by leveraging their inherent similarities.Specifically, SKR employs a sorting algorithm to arrange these systems in a sequence, where adjacent systems exhibit high similarities.Then it equips a solver with Krylov subspace recycling to solve the systems sequentially instead of independently, thus effectively enhancing the solving efficiency.Both theoretical analysis and extensive experiments demonstrate that SKR can significantly accelerate neural operator data generation, achieving a remarkable speedup of up to 13.9 times.

Real-time recurrent learning (RTRL) for sequence-processing recurrent neural networks (RNNs) offers certain conceptual advantages over backpropagation through time (BPTT). RTRL requires neither caching past activations nor truncating context, and enables online learning. However, RTRL's time and space complexity make it impractical. To overcome this problem, most recent work on RTRL focuses on approximation theories, while experiments are often limited to diagnostic settings. Here we explore the practical promise of RTRL in more realistic settings. We study actor-critic methods that combine RTRL and policy gradients, and test them in several subsets of DMLab-30, ProcGen, and Atari-2600 environments. On DMLab memory tasks, our system trained on fewer than 1.2B environmental frames is competitive with or outperforms well-known IMPALA and R2D2 baselines trained on 10B frames. To scale to such challenging tasks, we focus on certain well-known neural architectures with element-wise recurrence, allowing for tractable RTRL without approximation. Importantly, we also discuss rarely addressed limitations of RTRL in real-world applications, such as its complexity in the multi-layer case.

Latest insights from biology show that intelligence not only emerges from the connections between neurons, but that individual neurons shoulder more computational responsibility than previously anticipated. Specifically, neural plasticity should be critical in the context of constantly changing reinforcement learning (RL) environments, yet current approaches still primarily employ static activation functions. In this work, we motivate the use of adaptable activation functions in RL and show that rational activation functions are particularly suitable for augmenting plasticity. Inspired by residual networks, we derive a condition under which rational units are closed under residual connections and formulate a naturally regularised version. The proposed joint-rational activation allows for desirable degrees of flexibility, yet regularises plasticity to an extent that avoids overfitting by leveraging a mutual set of activation function parameters across layers. We demonstrate that equipping popular algorithms with (joint) rational activations leads to consistent improvements on different games from the Atari Learning Environment benchmark, notably making DQN competitive to DDQN and Rainbow.

Representations are at the core of all deep reinforcement learning (RL) methods for both Markov decision processes (MDPs) and partially observable Markov decision processes (POMDPs). Many representation learning methods and theoretical frameworks have been developed to understand what constitutes an effective representation. However, the relationships between these methods and the shared properties among them remain unclear. In this paper, we show that many of these seemingly distinct methods and frameworks for state and history abstractions are, in fact, based on a common idea of self-predictive abstraction. Furthermore, we provide theoretical insights into the widely adopted objectives and optimization, such as the stop-gradient technique, in learning self-predictive representations. These findings together yield a minimalist algorithm to learn self-predictive representations for states and histories. We validate our theories by applying our algorithm to standard MDPs, MDPs with distractors, and POMDPs with sparse rewards. These findings culminate in a set of preliminary guidelines for RL practitioners.

Despite the ability of text-to-image (T2I) diffusion models to generate high-quality images, transferring this ability to accurate image editing remains a challenge. In this paper, we propose a novel image editing method, DragonDiffusion, enabling Drag-style manipulation on Diffusion models. Specifically, we treat image editing as the change of feature correspondence in a pre-trained diffusion model. By leveraging feature correspondence, we develop energy functions that align with the editing target, transforming image editing operations into gradient guidance. Based on this guidance approach, we also construct multi-scale guidance that considers both semantic and geometric alignment. Furthermore, we incorporate a visual cross-attention strategy based on a memory bank design to ensure consistency between the edited result and original image. Benefiting from these efficient designs, all content editing and consistency operations come from the feature correspondence without extra model fine-tuning. Extensive experiments demonstrate that our method has promising performance on various image editing tasks, including within a single image (e.g., object moving, resizing, and content dragging) or across images (e.g., appearance replacing and object pasting). Code is available at https://github.com/MC-E/DragonDiffusion.

Recently, data augmentation (DA) has emerged as a method for leveraging domain knowledge to inexpensively generate additional data in reinforcement learning (RL) tasks, often yielding substantial improvements in data efficiency.While prior work has demonstrated the utility of incorporating augmented data directly into model-free RL updates,it is not well-understood when a particular DA strategy will improve data efficiency.In this paper, we seek to identify general aspects of DA responsible for observed learning improvements.Our study focuses on sparse-reward tasks with dynamics-invariant data augmentation functions, serving as an initial step towards a more general understanding of DA and its integration into RL training.Experimentally, we isolate three relevant aspects of DA: state-action coverage, reward density, and the number of augmented transitions generated per update (the augmented replay ratio).From our experiments, we draw two conclusions: (1) increasing state-action coverage often has a much greater impact on data efficiency than increasing reward density, and (2) decreasing the augmented replay ratio substantially improves data efficiency.In fact, certain tasks in our empirical study are solvable only when the replay ratio is sufficiently low.

We study multi-agent reinforcement learning (MARL) for the general-sum Markov Games (MGs) under general function approximation. In order to find the minimum assumption for sample-efficient learning, we introduce a novel complexity measure called the Multi-Agent Decoupling Coefficient (MADC) for general-sum MGs. Using this measure, we propose the first unified algorithmic framework that ensures sample efficiency in learning Nash Equilibrium, Coarse Correlated Equilibrium, and Correlated Equilibrium for both model-based and model-free MARL problems with low MADC. We also show that our algorithm provides comparable sublinear regret to the existing works. Moreover, our algorithm combines an equilibrium-solving oracle with a single objective optimization subprocedure that solves for the regularized payoff of each deterministic joint policy, which avoids solving constrained optimization problems within data-dependent constraints (Jin et al. 2020; Wang et al. 2023) or executing sampling procedures with complex multi-objective optimization problems (Foster et al. 2023), thus being more amenable to empirical implementation.

Existing game AI research mainly focuses on enhancing agents' abilities to win games, but this does not inherently make humans have a better experience when collaborating with these agents. For example, agents may dominate the collaboration and exhibit unintended or detrimental behaviors, leading to poor experiences for their human partners. In other words, most game AI agents are modeled in a "self-centered" manner. In this paper, we propose a "human-centered" modeling scheme for collaborative agents that aims to enhance the experience of humans. Specifically, we model the experience of humans as the goals they expect to achieve during the task. We expect that agents should learn to enhance the extent to which humans achieve these goals while maintaining agents' original abilities (e.g., winning games). To achieve this, we propose the Reinforcement Learning from Human Gain (RLHG) approach. The RLHG approach introduces a "baseline", which corresponds to the extent to which humans primitively achieve their goals, and encourages agents to learn behaviors that can effectively enhance humans in achieving their goals better. We evaluate the RLHG agent in the popular Multi-player Online Battle Arena (MOBA) game, Honor of Kings, by conducting real-world human-agent tests. Both objective performance and subjective preference results show that the RLHG agent provides participants better gaming experience.

The process of revising (or constructing) a policy at execution time---known as decision-time planning---has been key to achieving superhuman performance in perfect-information games like chess and Go. A recent line of work has extended decision-time planning to imperfect-information games, leading to superhuman performance in poker. However, these methods involve solving subgames whose sizes grow quickly in the amount of non-public information, making them unhelpful when the amount of non-public information is large.Motivated by this issue, we introduce an alternative framework for decision-time planning that is not based on solving subgames, but rather on update equivalence. In this update-equivalence framework, decision-time planning algorithms replicate the updates of last-iterate algorithms, which need not rely on public information. This facilitates scalability to games with large amounts of non-public information. Using this framework, we derive a provably sound search algorithm for fully cooperative games based on mirror descent and a search algorithm for adversarial games based on magnetic mirror descent. We validate the performance of these algorithms in cooperative and adversarial domains, notably in Hanabi, the standard benchmark for search in fully cooperative imperfect-information games. Here, our mirror descent approach exceeds or matches the performance of public information-based search while using two orders of magnitude less search time. This is the first instance of a non-public-information-based algorithm outperforming public-information-based approaches in a domain they have historically dominated.

Robustness against adversarial attacks and distribution shifts is a long-standing goal of Reinforcement Learning (RL). To this end, Robust Adversarial Reinforcement Learning (RARL) trains a protagonist against destabilizing forces exercised by an adversary in a competitive zero-sum Markov game, whose optimal solution, i.e., rational strategy, corresponds to a Nash equilibrium. However, finding Nash equilibria requires facing complex saddle point optimization problems, which can be prohibitive to solve, especially for high-dimensional control. In this paper, we propose a novel approach for adversarial RL based on entropy regularization to ease the complexity of the saddle point optimization problem. We show that the solution of this entropy-regularized problem corresponds to a Quantal Response Equilibrium (QRE), a generalization of Nash equilibria that accounts for bounded rationality, i.e., agents sometimes play random actions instead of optimal ones. Crucially, the connection between the entropy-regularized objective and QRE enables free modulation of the rationality of the agents by simply tuning the temperature coefficient. We leverage this insight to propose our novel algorithm, Quantal Adversarial RL (QARL), which gradually increases the rationality of the adversary in a curriculum fashion until it is fully rational, easing the complexity of the optimization problem while retaining robustness. We provide extensive evidence of QARL outperforming RARL and recent baselines across several MuJoCo locomotion and navigation problems in overall performance and robustness.

In the real world, the strong episode resetting mechanisms that are needed to trainagents in simulation are unavailable. The resetting assumption limits the potentialof reinforcement learning in the real world, as providing resets to an agent usuallyrequires the creation of additional handcrafted mechanisms or human interventions.Recent work aims to train agents (forward) with learned resets by constructinga second (backward) agent that returns the forward agent to the initial state. Wefind that the termination and timing of the transitions between these two agentsare crucial for algorithm success. With this in mind, we create a new algorithm,Reset Free RL with Intelligently Switching Controller (RISC) which intelligentlyswitches between the two agents based on the agent’s confidence in achieving itscurrent goal. Our new method achieves state-of-the-art performance on severalchallenging environments for reset-free RL.

Nature performs complex computations constantly at clearly lower cost and higher performance than digital computers. It is crucial to understand how to harness the unique computational power of nature in Machine Learning (ML). In the past decade, besides the development of Neural Networks (NNs), the community has also relentlessly explored nature-powered ML paradigms. Although most of them are still predominantly theoretical, a new practical paradigm enabled by the recent advent of CMOS-compatible room-temperature nature-based computers has emerged. By harnessing a dynamical system's intrinsic behavior of chasing the lowest energy state, this paradigm can solve some simple binary problems delivering considerable speedup and energy savings compared with NNs, while maintaining comparable accuracy. Regrettably, its values to the real world are highly constrained by its binary nature. A clear pathway to its extension to real-valued problems remains elusive. This paper aims to unleash this pathway by proposing a novel end-to-end Nature-Powered Graph Learning (NP-GL) framework. Specifically, through a three-dimensional co-design, NP-GL can leverage the spontaneous energy decrease in nature to efficiently solve real-valued graph learning problems. Experimental results across 4 real-world applications with 6 datasets demonstrate that NP-GL delivers, on average, $6.97\times 10^3$ speedup and $10^5$ energy consumption reduction with comparable or even higher accuracy than Graph Neural Networks (GNNs).

We propose a novel hierarchical Bayesian model for the few-shot meta learning problem. We consider episode-wise random variables to model episode-specific generative processes, where these local random variables are governed by a higher-level global random variable. The global variable captures information shared across episodes, while controlling how much the model needs to be adapted to new episodes in a principled Bayesian manner. Within our framework, prediction on a novel episode/task can be seen as a Bayesian inference problem. For tractable training, we need to be able to relate each local episode-specific solution to the global higher-level parameters. We propose a Normal-Inverse-Wishart model, for which establishing this local-global relationship becomes feasible due to the approximate closed-form solutions for the local posterior distributions. The resulting algorithm is more attractive than the MAML in that it does not maintain a costly computational graph for the sequence of gradient descent steps in an episode. Our approach is also different from existing Bayesian meta learning methods in that rather than modeling a single random variable for all episodes, it leverages a hierarchical structure that exploits the local-global relationships desirable for principled Bayesian learning with many related tasks.

As is well known, both sampling from the posterior and computing the mean of the posterior in Gaussian process regression reduces to solving a large linear system of equations. We study the use of stochastic gradient descent for solving this linear system, and show that when done right---by which we mean using specific insights from the optimisation and kernel communities---stochastic gradient descent is highly effective. To that end, we introduce a particularly simple stochastic dual descent algorithm, explain its design in an intuitive manner and illustrate the design choices through a series of ablation studies. Further experiments demonstrate that our new method is highly competitive. In particular, our evaluations on the UCI regression tasks and on Bayesian optimisation set our approach apart from preconditioned conjugate gradients and variational Gaussian process approximations. Moreover, our method places Gaussian process regression on par with state-of-the-art graph neural networks for molecular binding affinity prediction.

Current learning models often struggle with human-like systematic generalization, particularly in learning compositional rules from limited data and extrapolating them to novel combinations. We introduce the Neural-Symbolic Recursive Ma- chine ( NSR), whose core is a Grounded Symbol System ( GSS), allowing for the emergence of combinatorial syntax and semantics directly from training data. The NSR employs a modular design that integrates neural perception, syntactic parsing, and semantic reasoning. These components are synergistically trained through a novel deduction-abduction algorithm. Our findings demonstrate that NSR’s design, imbued with the inductive biases of equivariance and compositionality, grants it the expressiveness to adeptly handle diverse sequence-to-sequence tasks and achieve unparalleled systematic generalization. We evaluate NSR’s efficacy across four challenging benchmarks designed to probe systematic generalization capabilities: SCAN for semantic parsing, PCFG for string manipulation, HINT for arithmetic reasoning, and a compositional machine translation task. The results affirm NSR ’s superiority over contemporary neural and hybrid models in terms of generalization and transferability.

Large visual-language models (VLMs), like CLIP, enable open-set image segmentation to segment arbitrary concepts from an image in a zero-shot manner. This goes beyond the traditional closed-set assumption, i.e., where models can only segment classes from a pre-defined training set. More recently, first works on open-set segmentation in 3D scenes have appeared in the literature. These methods are heavily influenced by closed-set 3D convolutional approaches that process point clouds or polygon meshes. However, these 3D scene representations do not align well with the image-based nature of the visual-language models. Indeed, point cloud and 3D meshes typically have a lower resolution than images and the reconstructed 3D scene geometry might not project well to the underlying 2D image sequences used to compute pixel-aligned CLIP features. To address these challenges, we propose OpenNeRF which naturally operates on posed images and directly encodes the VLM features within the NeRF. This is similar in spirit to LERF, however our work shows that using pixel-wise VLM features (instead of global CLIP features) results in an overall less complex architecture without the need for additional DINO regularization. Our OpenNeRF further leverages NeRF’s ability to render novel views and extract open-set VLM features from areas that are not well observed in the initial posed images. For 3D point cloud segmentation on the Replica dataset, OpenNeRF outperforms recent open-vocabulary methods such as LERF and OpenScene by at least +4.9 mIoU.

Discovering the underlying relationships among variables from temporal observations has been a longstanding challenge in numerous scientific disciplines, including biology, finance, and climate science. The dynamics of such systems are often best described using continuous-time stochastic processes. Unfortunately, most existing structure learning approaches assume that the underlying process evolves in discrete-time and/or observations occur at regular time intervals. These mismatched assumptions can often lead to incorrect learned structures and models. In this work, we introduce a novel structure learning method, SCOTCH, which combines neural stochastic differential equations (SDE) with variational inference to infer a posterior distribution over possible structures. This continuous-time approach can naturally handle both learning from and predicting observations at arbitrary time points. Theoretically, we establish sufficient conditions for an SDE and SCOTCH to be structurally identifiable, and prove its consistency under infinite data limits. Empirically, we demonstrate that our approach leads to improved structure learning performance on both synthetic and real-world datasets compared to relevant baselines under regular and irregular sampling intervals.

COMpression with Bayesian Implicit NEural Representations (COMBINER) is a recent data compression method that addresses a key inefficiency of previous Implicit Neural Representation (INR)-based approaches: it avoids quantization and enables direct optimization of the rate-distortion performance. However, COMBINER still has significant limitations: 1) it uses factorized priors and posterior approximations that lack flexibility; 2) it cannot effectively adapt to local deviations from global patterns in the data; and 3) its performance can be susceptible to modeling choices and the variational parameters' initializations. Our proposed method, Robust and Enhanced COMBINER (RECOMBINER), addresses these issues by 1) enriching the variational approximation while retaining a low computational cost via a linear reparameterization of the INR weights, 2) augmenting our INRs with learnable positional encodings that enable them to adapt to local details and 3) splitting high-resolution data into patches to increase robustness and utilizing expressive hierarchical priors to capture dependency across patches. We conduct extensive experiments across several data modalities, showcasing that RECOMBINER achieves competitive results with the best INR-based methods and even outperforms autoencoder-based codecs on low-resolution images at low bitrates. Our PyTorch implementation is available at https://github.com/cambridge-mlg/RECOMBINER/.

Active learning (AL) for multiple target models aims to reduce labeled data querying while effectively training multiple models concurrently. Existing AL algorithms often rely on iterative model training, which can be computationally expensive, particularly for deep models. In this paper, we propose a one-shot AL method to address this challenge, which performs all label queries without repeated model training. Specifically, we extract different representations of the same dataset using distinct network backbones, and actively learn the linear prediction layer on each representation via an $\ell_p$-regression formulation. The regression problems are solved approximately by sampling and reweighting the unlabeled instances based on their maximum Lewis weights across the representations. An upper bound on the number of samples needed is provided with a rigorous analysis for $p\in [1, +\infty)$. Experimental results on 11 benchmarks show that our one-shot approach achieves competitive performances with the state-of-the-art AL methods for multiple target models.

Transformers pretrained on diverse tasks exhibit remarkable in-context learning (ICL) capabilities, enabling them to solve unseen tasks solely based on input contexts without adjusting model parameters. In this paper, we study ICL in one of its simplest setups: pretraining a single-layer linear attention model for linear regression with a Gaussian prior. We establish a statistical task complexity bound for the attention model pretraining, showing that effective pretraining only requires a small number of independent tasks. Furthermore, we prove that the pretrained model closely matches the Bayes optimal algorithm, i.e., optimally tuned ridge regression, by achieving nearly Bayes optimal risk on unseen tasks under a fixed context length. These theoretical findings complement prior experimental research and shed light on the statistical foundations of ICL.

Unsupervised domain adaptation (UDA) involves adapting a model trained on a label-rich source domain to an unlabeled target domain. However, in real-world scenarios, the absence of target-domain labels makes it challenging to evaluate the performance of UDA models. Furthermore, prevailing UDA methods relying on adversarial training and self-training could lead to model degeneration and negative transfer, further exacerbating the evaluation problem. In this paper, we propose a novel metric called the Transfer Score to address these issues. The proposed metric enables the unsupervised evaluation of UDA models by assessing the spatial uniformity of the classifier via model parameters, as well as the transferability and discriminability of deep representations. Based on the metric, we achieve three novel objectives without target-domain labels: (1) selecting the best UDA method from a range of available options, (2) optimizing hyperparameters of UDA models to prevent model degeneration, and (3) identifying which checkpoint of UDA model performs optimally. Our work bridges the gap between data-level UDA research and practical UDA scenarios, enabling a realistic assessment of UDA model performance. We validate the effectiveness of our metric through extensive empirical studies on UDA datasets of different scales and imbalanced distributions. The results demonstrate that our metric robustly achieves the aforementioned goals.

A recent paper by Farina and Pipis (2023) established the existence of uncoupled no-linear-swap regret dynamics with polynomial-time iterations in extensive-form games. The equilibrium points reached by these dynamics, known as linear correlated equilibria, are currently the tightest known relaxation of correlated equilibrium that can be learned in polynomial time in any finite extensive-form game. However, their properties remain vastly unexplored, and their computation is onerous. In this paper, we provide several contributions shedding light on the fundamental nature of linear-swap regret. First, we show a connection between linear deviations and a generalization of communication deviations in which the player can make queries to a ``mediator'' who replies with action recommendations, and, critically, the player is not constrained to match the timing of the game as would be the case for communication deviations. We coin this latter set the untimed communication (UTC) deviations. We show that the UTC deviations coincide precisely with the linear deviations, and therefore that any player minimizing UTC regret also minimizes linear-swap regret. We then leverage this connection to develop state-of-the-art no-regret algorithms for computing linear correlated equilibria, both in theory and in practice. In theory, our algorithms achieve polynomially better per-iteration runtimes; in practice, our algorithms represent the state of the art by several orders of magnitude.

Zero-shot learning in prompted vision-language models, the practice of crafting prompts to build classifiers without an explicit training process, has achieved impressive performance in many settings. This success presents a seemingly surprising observation: these methods suffer relatively little from overfitting, i.e., when a prompt is manually engineered to achieve low error on a given training set (thus rendering the method no longer actually zero-shot), the approach still performs well on held-out test data. In this paper, we show that we can explain such performance well via recourse to classical PAC-Bayes bounds. Specifically, we show that the discrete nature of prompts, combined with a PAC-Bayes prior given by a language model, results in generalization bounds that are remarkably tight by the standards of the literature: for instance, the generalization bound of an ImageNet classifier is often within a few percentage points of the true test error. We demonstrate empirically that this holds for existing handcrafted prompts and prompts generated through simple greedy search. Furthermore, the resulting bound is well-suited for model selection: the models with the best bound typically also have the best test performance. This work thus provides a possible justification for the widespread practice of "prompt engineering," even if it seems that such methods could potentially overfit the training data.

This paper presents the first theoretical guarantee for Bayesian bilevel optimization (BBO) that we term for the prevalent bilevel framework combining Bayesian optimization at the outer level to tune hyperparameters, and the inner-level stochastic gradient descent (SGD) for training the model. We prove sublinear regret bounds suggesting simultaneous convergence of the inner-level model parameters and outer-level hyperparameters to optimal configurations for generalization capability. A pivotal, technical novelty in the proofs is modeling the excess risk of the SGD-trained parameters as evaluation noise during Bayesian optimization. Our theory implies the inner unit horizon, defined as the number of SGD iterations, shapes the convergence behavior of BBO. This suggests practical guidance on configuring the inner unit horizon to enhance training efficiency and model performance.

Cascading bandits have gained popularity in recent years due to their applicability to recommendation systems and online advertising. In the cascading bandit model, at each timestep, an agent recommends an ordered subset of items (called an item list) from a pool of items, each associated with an unknown attraction probability. Then, the user examines the list, and clicks the first attractive item (if any), and after that, the agent receives a reward. The goal of the agent is to maximize the expected cumulative reward. However, the prior literature on cascading bandits ignores the influences of user states (e.g., historical behaviors) on recommendations and the change of states as the session proceeds. Motivated by this fact, we propose a generalized cascading RL framework, which considers the impact of user states and state transition into decisions. In cascading RL, we need to select items not only with large attraction probabilities but also leading to good successor states. This imposes a huge computational challenge due to the combinatorial action space. To tackle this challenge, we delve into the properties of value functions, and design an oracle BestPerm to efficiently find the optimal item list. Equipped with BestPerm, we develop two algorithms CascadingVI and CascadingBPI, which are both computationally-efficient and sample-efficient, and provide near-optimal regret and sample complexity guarantees. Furthermore, we present experiments to show the improved computational and sample efficiencies of our algorithms compared to straightforward adaptations of existing RL algorithms in practice.

We study a strategic variant of the multi-armed bandit problem, which we coin the strategic click-bandit. This model is motivated by applications in online recommendation where the choice of recommended items depends on both the click-through rates and the post-click rewards. Like in classical bandits, rewards follow a fixed unknown distribution. However, we assume that the click-rate of each arm is chosen strategically by the arm (e.g., a host on Airbnb) in order to maximize the number of times it gets clicked. The algorithm designer does not know the post-click rewards nor the arms' actions (i.e., strategically chosen click-rates) in advance, and must learn both values over time. To solve this problem, we design an incentive-aware learning algorithm, UCB-S, which achieves two goals simultaneously: (a) incentivizing desirable arm behavior under uncertainty; (b) minimizing regret by learning unknown parameters. We approximately characterize all Nash equilibria of the arms under UCB-S and show a $\tilde{\mathcal{O}} (\sqrt{KT})$ regret bound uniformly in every equilibrium. We also show that incentive-unaware algorithms generally fail to achieve low regret in the strategic click-bandit. Finally, we support our theoretical results by simulations of strategic arm behavior which confirm the effectiveness and robustness of our proposed incentive design.

Modern learning-based approaches to 3D-aware image synthesis achieve high photorealism and 3D-consistent viewpoint changes for the generated images. Existing approaches represent instances in a shared canonical space. However, for in-the-wild datasets a shared canonical system can be difficult to define or might not even exist. In this work, we instead model instances in view space, alleviating the need for posed images and learned camera distributions. We find that in this setting, existing GAN-based methods are prone to generating flat geometry and struggle with distribution coverage. We hence propose WildFusion, a new approach to 3D-aware image synthesis based on latent diffusion models (LDMs). We first train an autoencoder that infers a compressed latent representation, which additionallycaptures the images’ underlying 3D structure and enables not only reconstruction but also novel view synthesis. To learn a faithful 3D representation, we leverage cues from monocular depth prediction. Then, we train a diffusion model in the 3D-aware latent space, thereby enabling synthesis of high-quality 3D-consistent image samples, outperforming recent state-of-the-art GAN-based methods. Importantly,our 3D-aware LDM is trained without any direct supervision from multiview images or 3D geometry and does not require posed images or learned pose or camera distributions. It directly learns a 3D representation without relying on canonical camera coordinates. This opens up promising research avenues for scalable 3D-aware image synthesis and 3D content creation from in-the-wild image data.

Most bandit algorithms assume that the reward variances or their upper bounds are known, and that they are the same for all arms. This naturally leads to suboptimal performance and higher regret due to variance overestimation. On the other hand, underestimated reward variances may lead to linear regret due to committing early to a suboptimal arm. This motivated prior works on variance-adaptive frequentist algorithms, which have strong instance-dependent regret bounds but cannot incorporate prior knowledge on reward variances. We lay foundations for the Bayesian setting, which incorporates prior knowledge. This results in lower regret in practice, since the prior is used in the algorithm design, and also improved regret guarantees. Specifically, we study Gaussian bandits with \emph{unknown heterogeneous reward variances} and develop a Thompson sampling algorithm with prior-dependent Bayes regret bounds. We achieve lower regret with lower reward variances and more informative priors on them, which is precisely why we pay only for what is uncertain. This is the first such result in the bandit literature. Finally, we corroborate our theory with experiments, which demonstrate the benefit of our variance-adaptive Bayesian algorithm over prior frequentist works. We also show that our approach is robust to model misspecification and can be applied with estimated priors.

We study best arm identification (BAI) in linear bandits in the fixed-budget regime under differential privacy constraints, when the arm rewards are supported on the unit interval. Given a finite budget $T$ and a privacy parameter $\varepsilon>0$, the goal is to minimise the error probability in finding the arm with the largest mean after $T$ sampling rounds, subject to the constraint that the policy of the decision maker satisfies a certain {\em $\varepsilon$-differential privacy} ($\varepsilon$-DP) constraint. We construct a policy satisfying the $\varepsilon$-DP constraint (called {\sc DP-BAI}), based on the principle of {\em maximum absolute determinants}, and derive an upper bound on its error probability. Furthermore, we derive a minimax lower bound on the error probability, and demonstrate that the lower and the upper bounds decay exponentially in $T$, with exponents in the two bounds matching order-wise in (a) the sub-optimality gaps of the arms, (b) $\varepsilon$, and (c) the problem complexity that is expressible as the sum of two terms, one characterising the complexity of standard fixed-budget BAI (without privacy constraints), and the other accounting for the $\varepsilon$-DP constraint. Additionally, we present some auxiliary results that contribute to the derivation of the lower bound on the error probability. These results, we posit, may be of independent interest and could prove instrumental in proving lower bounds on error probabilities in several other bandit problems.Whereas prior works provide results for BAI in the fixed-budget regime without privacy constraints or in the fixed-confidence regime with privacy constraints, our work fills the gap in the literature by providing the results for BAI in the fixed-budget regime under the $\varepsilon$-DP constraint.

To enhance the efficiency and practicality of federated bandit learning, recent advances have introduced incentives to motivate communication among clients, where a client participates only when the incentive offered by the server outweighs its participation cost. However, existing incentive mechanisms naively assume the clients are truthful: they all report their true cost and thus the higher cost one participating client claims, the more the server has to pay. Therefore, such mechanisms are vulnerable to strategic clients aiming to optimize their own utility by misreporting. To address this issue, we propose an incentive compatible (i.e., truthful) communication protocol, named Truth-FedBan, where the incentive for each participant is independent of its self-reported cost, and reporting the true cost is the only way to achieve the best utility. More importantly, Truth-FedBan still guarantees the sub-linear regret and communication cost without any overhead. In other words, the core conceptual contribution of this paper is, for the first time, demonstrating the possibility of simultaneously achieving incentive compatibility and nearly optimal regret in federated bandit learning. Extensive numerical studies further validate the effectiveness of our proposed solution.

Markov Decision Processes (MDPs) are a formal framework for modeling and solving sequential decision-making problems. In finite time horizons such problems are relevant for instance for optimal stopping or specific supply chain problems, but also in the training of large language models. In contrast to infinite horizon MDPs optimal policies are not stationary, policies must be learned for every single epoch. In practice all parameters are often trained simultaneously, ignoring the inherent structure suggested by dynamic programming. This paper introduces a combination of dynamic programming and policy gradient called dynamical policy gradient, where the parameters are trained backwards in time. For the tabular softmax parametrisation we carry out the convergence analysis for simultaneous and dynamic policy gradient towards global optima, both in the exact and sampled gradient settings without regularisation. It turns out that the use of dynamic policy gradient training much better exploits the structure of finite-time problems which is reflected in improved convergence bounds.

Incorporating expert demonstrations has empirically helped to improve the sample efficiency of reinforcement learning (RL). This paper quantifies theoretically to what extent this extra information reduces RL's sample complexity. In particular, we study the demonstration-regularized reinforcement learning framework that leverages the expert demonstrations by $\mathrm{KL}$-regularization for a policy learned by behavior cloning. Our findings reveal that using $N^{\mathrm{E}}$ expert demonstrations enables the identification of an optimal policy at a sample complexity of order $\widetilde{\mathcal{O}}(\mathrm{Poly}(S,A,H)/(\varepsilon^2 N^{\mathrm{E}}))$ in finite and $\widetilde{\mathcal{O}}(\mathrm{Poly}(d,H)/(\varepsilon^2 N^{\mathrm{E}}))$ in linear Markov decision processes, where $\varepsilon$is the target precision, $H$ the horizon, $A$ the number of action, $S$ the number of states in the finite case and $d$ the dimension of the feature space in the linear case. As a by-product, we provide tight convergence guarantees for the behavior cloning procedure under general assumptions on the policy classes. Additionally, we establish that demonstration-regularized methods are provably efficient for reinforcement learning from human feedback (RLHF). In this respect, we provide theoretical evidence showing the benefits of KL-regularization for RLHF in tabular and linear MDPs. Interestingly, we avoid pessimism injection by employing computationally feasible regularization to handle reward estimation uncertainty, thus setting our approach apart from the prior works.

The optimal transport problem for measures supported on non-Euclidean spaces has recently gained ample interest in diverse applications involving representation learning. In this paper, we focus on circular probability measures, i.e., probability measures supported on the unit circle, and introduce a new computationally efficient metric for these measures, denoted as Linear Circular Optimal Transport (LCOT). The proposed metric comes with an explicit linear embedding that allows one to apply Machine Learning (ML) algorithms to the embedded measures and seamlessly modify the underlying metric for the ML algorithm to LCOT. We show that the proposed metric is rooted in the Circular Optimal Transport (COT) and can be considered the linearization of the COT metric with respect to a fixed reference measure. We provide a theoretical analysis of the proposed metric and derive the computational complexities for pairwise comparison of circular probability measures. Lastly, through a set of numerical experiments, we demonstrate the benefits of LCOT in learning representations from circular measures.

Empowering large language models (LLMs) to accurately express confidence in their answers is essential for reliable and trustworthy decision-making. Previous confidence elicitation methods, which primarily rely on white-box access to internal model information or model fine-tuning, have become less suitable for LLMs, especially closed-source commercial APIs. This leads to a growing need to explore the untapped area of black-box approaches for LLM uncertainty estimation. To better break down the problem, we define a systematic framework with three components: prompting strategies for eliciting verbalized confidence, sampling methods for generating multiple responses, and aggregation techniques for computing consistency. We then benchmark these methods on two key tasks—confidence calibration and failure prediction—across five types of datasets (e.g., commonsense and arithmetic reasoning) and five widely-used LLMs including GPT-4 and LLaMA 2 Chat. Our analysis uncovers several key insights: 1) LLMs, when verbalizing their confidence, tend to be overconfident, potentially imitating human patterns of expressing confidence. 2) As model capability scales up, both calibration and failure prediction performance improve, yet still far from ideal performance. 3) Employing our proposed strategies, such as human-inspired prompts, consistency among multiple responses, and better aggregation strategies can help mitigate this overconfidence from various perspectives. 4) Comparisons with white-box methods indicate that while white-box methods perform better, the gap is narrow, e.g., 0.522 to 0.605 in AUROC. Despite these advancements, none of these techniques consistently outperform others, and all investigated methods struggle in challenging tasks, such as those requiring professional knowledge, indicating significant scope for improvement. We believe this study can serve as a strong baseline and provide insights for eliciting confidence in black-box LLMs. The code is publicly available at https://github.com/MiaoXiong2320/llm-uncertainty.

The wide-ranging applications of large language models (LLMs), especially in safety-critical domains, necessitate the proper evaluation of the LLM’s adversarial robustness. This paper proposes an efficient tool to audit the LLM’s adversarial robustness via a prompt-based adversarial attack (PromptAttack). PromptAttack converts adversarial textual attacks into an attack prompt that can cause the victim LLM to output the adversarial sample to fool itself. The attack prompt is composed of three important components: (1) original input (OI) including the original sample and its ground-truth label, (2) attack objective (AO) illustrating a task description of generating a new sample that can fool itself without changing the semantic meaning, and (3) attack guidance (AG) containing the perturbation instructions to guide the LLM on how to complete the task by perturbing the original sample at character, word, and sentence levels, respectively. Besides, we use a fidelity filter to ensure that PromptAttack maintains the original semantic meanings of the adversarial examples. Further, we enhance the attack power of PromptAttack by ensembling adversarial examples at different perturbation levels. Comprehensive empirical results using Llama2 and GPT-3.5 validate that PromptAttack consistently yields a much higher attack success rate compared to AdvGLUE and AdvGLUE++. Interesting findings include that a simple emoji can easily mislead GPT-3.5 to make wrong predictions. Our source code is available at https://github.com/GodXuxilie/PromptAttack.

This work presents an information-theoretic perspective to group fairness trade-offs in federated learning (FL) with respect to sensitive attributes, such as gender, race, etc. Existing works often focus on either $\textit{global fairness}$ (overall disparity of the model across all clients) or $\textit{local fairness}$ (disparity of the model at each client), without always considering their trade-offs. There is a lack of understanding regarding the interplay between global and local fairness in FL, particularly under data heterogeneity, and if and when one implies the other. To address this gap, we leverage a body of work in information theory called partial information decomposition (PID), which first identifies three sources of unfairness in FL, namely, $\textit{Unique Disparity}$, $\textit{Redundant Disparity}$, and $\textit{Masked Disparity}$. We demonstrate how these three disparities contribute to global and local fairness using canonical examples. This decomposition helps us derive fundamental limits on the trade-off between global and local fairness, highlighting where they agree or disagree. We introduce the $\textit{Accuracy and Global-Local Fairness Optimality Problem}$ (AGLFOP), a convex optimization that defines the theoretical limits of accuracy and fairness trade-offs, identifying the best possible performance any FL strategy can attain given a dataset and client distribution. We also present experimental results on synthetic datasets and the ADULT dataset to support our theoretical findings.

In federated learning (FL), incentivizing contributions of training resources (e.g., data, compute) from potentially competitive clients is crucial. Existing incentive mechanisms often distribute post-training monetary rewards, which suffer from practical challenges of timeliness and feasibility of the rewards. Rewarding the clients after the completion of training may incentivize them to abort the collaboration, and monetizing the contribution is challenging in practice. To address these problems, we propose an incentive-aware algorithm that offers differentiated training-time model rewards for each client at each FL iteration. We theoretically prove that such a $\textit{local}$ design ensures the $\textit{global}$ objective of client incentivization. Through theoretical analyses, we further identify the issue of error propagation in model rewards and thus propose a stochastic reference-model recovery strategy to ensure theoretically that all the clients eventually obtain the optimal model in the limit. We perform extensive experiments to demonstrate the superior incentivizing performance of our method compared to existing baselines.

This paper introduces a Transformer-based integrative feature and cost aggregation network designed for dense matching tasks. In the context of dense matching, many works benefit from one of two forms of aggregation: feature aggregation, which pertains to the alignment of similar features, or cost aggregation, a procedure aimed at instilling coherence in the flow estimates across neighboring pixels. In this work, we first show that feature aggregation and cost aggregation exhibit distinct characteristics and reveal the potential for substantial benefits stemming from the judicious use of both aggregation processes. We then introduce a simple yet effective architecture that harnesses self- and cross-attention mechanisms to show that our approach unifies feature aggregation and cost aggregation and effectively harnesses the strengths of both techniques. Within the proposed attention layers, the features and cost volume both complement each other, and the attention layers are interleaved through a coarse-to-fine design to further promote accurate correspondence estimation. Finally at inference, our network produces multi-scale predictions, computes their confidence scores, and selects the most confident flow for final prediction. Our framework is evaluated on standard benchmarks for semantic matching, and also applied to geometric matching, where we show that our approach achieves significant improvements compared to existing methods.

Deep neural networks (DNNs) have been shown to perform well on exclusive, multi-class classification tasks. However, when different classes have similar visual features, it becomes challenging for human annotators to differentiate them. When an image is ambiguous, such as a blurry one where an annotator can't distinguish between a husky and a wolf, it may be labeled with both classes: {husky, wolf}. This scenario necessitates the use of composite set labels. In this paper, we propose a novel framework called Hyper-Evidential Neural Network (HENN) that explicitly models predictive uncertainty caused by composite set labels in training data in the context of the belief theory called Subjective Logic (SL).By placing a Grouped Dirichlet distribution on the class probabilities, we treat predictions of a neural network as parameters of hyper-subjective opinions and learn the network that collects both single and composite evidence leading to these hyper-opinions by a deterministic DNN from data.We introduce a new uncertainty type called vagueness originally designed for hyper-opinions in SL to quantify composite classification uncertainty for DNNs.Our experiments prove that HENN outperforms its state-of-the-art counterparts based on four image datasets.The code and datasets are available at: https://shorturl.at/dhoqx.

Web-scraped datasets are vulnerable to data poisoning, which can be used for backdooring deep image classifiers during training. Since training on large datasets is expensive, a model is trained once and reused many times. Unlike adversarial examples, backdoor attacks often target specific classes rather than any class learned by the model. One might expect that targeting many classes through a naïve composition of attacks vastly increases the number of poison samples. We show this is not necessarily true and more efficient, universal data poisoning attacks exist that allow controlling misclassifications from any source class into any target class with a slight increase in poison samples. Our idea is to generate triggers with salient characteristics that the model can learn. The triggers we craft exploit a phenomenon we call inter-class poison transferability, where learning a trigger from one class makes the model more vulnerable to learning triggers for other classes. We demonstrate the effectiveness and robustness of our universal backdoor attacks by controlling models with up to 6,000 classes while poisoning only 0.15% of the training dataset.

Malicious server (MS) attacks have enabled the scaling of data stealing in federated learning to large batch sizes and secure aggregation, settings previously considered private. However, many concerns regarding the client-side detectability of MS attacks were raised, questioning their practicality. In this work, for the first time, we thoroughly study client-side detectability. We first demonstrate that all prior MS attacks are detectable by principled checks, and formulate a necessary set of requirements that a practical MS attack must satisfy. Next, we propose SEER, a novel attack framework that satisfies these requirements. The key insight of SEER is the use of a secret decoder, jointly trained with the shared model. We show that SEER can steal user data from gradients of realistic networks, even for large batch sizes of up to 512 and under secure aggregation. Our work is a promising step towards assessing the true vulnerability of federated learning in real-world settings.

Privacy estimation techniques for differentially private (DP) algorithms are useful for comparing against analytical bounds, or to empirically measure privacy loss in settings where known analytical bounds are not tight. However, existing privacy auditing techniques usually make strong assumptions on the adversary (e.g., knowledge of intermediate model iterates or the training data distribution), are tailored to specific tasks, model architectures, or DP algorithm, and/or require retraining the model many times (typically on the order of thousands). These shortcomings make deploying such techniques at scale difficult in practice, especially in federated settings where model training can take days or weeks. In this work, we present a novel “one-shot” approach that can systematically address these challenges, allowing efficient auditing or estimation of the privacy loss of a model during the same, single training run used to fit model parameters, and without requiring any a priori knowledge about the model architecture, task, or DP algorithm. We show that our method provides provably correct estimates for the privacy loss under the Gaussian mechanism, and we demonstrate its performance on a well-established FL benchmark dataset under several adversarial threat models.

Large Language Models (LLMs) have recently showcased their remarkable capacities, not only in natural language processing tasks but also across diverse domains such as clinical medicine, legal consultation, and education. LLMs become more than mere applications, evolving into assistants capable of addressing diverse user requests. This narrows the distinction between human beings and artificial intelligence agents, raising intriguing questions regarding the potential manifestation of personalities, temperaments, and emotions within LLMs. In this paper, we propose a framework, PsychoBench, for evaluating diverse psychological aspects of LLMs. Comprising thirteen scales commonly used in clinical psychology, PsychoBench further classifies these scales into four distinct categories: personality traits, interpersonal relationships, motivational tests, and emotional abilities. Our study examines five popular models, namely text-davinci-003, ChatGPT, GPT-4, LLaMA-2-7b, and LLaMA-2-13b. Additionally, we employ a jailbreak approach to bypass the safety alignment protocols and test the intrinsic natures of LLMs. We have made PsychoBench openly accessible via https://github.com/CUHK-ARISE/PsychoBench.

Large pre-trained models have enabled significant advances in machine learning and served as foundation components.Model fusion methods, such as task arithmetic, have been proven to be powerful and scalable to incorporate fine-tuned weights from different tasks into a multi-task model. However, efficiently fine-tuning large pre-trained models on multiple downstream tasks remains challenging, leading to inefficient multi-task model fusion.In this work, we propose a novel method to improve multi-task fusion for parameter-efficient fine-tuning techniques like LoRA fine-tuning.Specifically, our approach partially linearizes only the adapter modules and applies task arithmetic over the linearized adapters.This allows us to leverage the the advantages of model fusion over linearized fine-tuning, while still performing fine-tuning and inference efficiently.We demonstrate that our partial linearization technique enables a more effective fusion of multiple tasks into a single model, outperforming standard adapter tuning and task arithmetic alone.Experimental results demonstrate the capabilities of our proposed partial linearization technique to effectively construct unified multi-task models via the fusion of fine-tuned task vectors. We evaluate performance over an increasing number of tasks and find that our approach outperforms standard parameter-efficient fine-tuning techniques. The results highlight the benefits of partial linearization for scalable and efficient multi-task model fusion.

Domain shift degrades classification models on new data distributions. Conventional unsupervised domain adaptation (UDA) aims to learn features that bridge labeled source and unlabeled target domains. In contrast to feature learning, gradual domain adaptation (GDA) leverages extra continuous intermediate domains with pseudo-labels to boost the source classifier. However, real intermediate domains are sometimes unavailable or ineffective. In this paper, we propose $\textbf{G}$radual Domain Adaptation via $\textbf{G}$radient $\textbf{F}$low (GGF) to generate intermediate domains with preserving labels, thereby enabling us a fine-tuning method for GDA. We employ the Wasserstein gradient flow in Kullback–Leibler divergence to transport samples from the source to the target domain. To simulate the dynamics, we utilize the Langevin algorithm. Since the Langevin algorithm disregards label information and introduces diffusion noise, we introduce classifier-based and sample-based potentials to avoid label switching and dramatic deviations in the sampling process. For the proposed GGF model, we analyze its generalization bound. Experiments on several benchmark datasets demonstrate the superiority of the proposed GGF method compared to state-of-the-art baselines.

Most continual learning (CL) algorithms have focused on tackling the stability-plasticity dilemma, that is, the challenge of preventing the forgetting of past tasks while learning new ones. However, we argue that they have overlooked the impact of knowledge transfer when the training dataset of a certain task is biased — namely, when the dataset contains some spurious correlations that can overly influence the prediction rule of a model. In that case, how would the dataset bias of a certain task affect the prediction rules of a CL model for future or past tasks? In this work, we carefully design systematic experiments using three benchmark datasets to answer the question from our empirical findings. Specifically, we first show through two-task CL experiments that standard CL methods, which are oblivious of the dataset bias, can transfer bias from one task to another, both forward and backward. Moreover, we find out this transfer is exacerbated depending on whether the CL methods focus on stability or plasticity. We then present that the bias is also transferred and even accumulates in longer task sequences. Finally, we offer a standardized experimental setup and a simple, yet strong plug-in baseline method, dubbed as group-class Balanced Greedy Sampling (BGS), which are utilized for the development of more advanced bias-aware CL methods.

In Online Continual Learning (OCL) a learning system receives a stream of data and sequentially performs prediction and training steps. Key challenges in OCL include automatic adaptation to the specific non-stationary structure of the data and maintaining appropriate predictive uncertainty. To address these challenges we introduce a probabilistic Bayesian online learning approach that utilizes a (possibly pretrained) neural representation and a state space model over the linear predictor weights. Non-stationarity in the linear predictor weights is modelled using a “parameter drift” transition density, parametrized by a coefficient that quantifies forgetting. Inference in the model is implemented with efficient Kalman filter recursions which track the posterior distribution over the linear weights, while online SGD updates over the transition dynamics coefficient allow for adaptation to the non-stationarity observed in the data. While the framework is developed assuming a linear Gaussian model, we extend it to deal with classification problems and for fine-tuning the deep learning representation. In a set of experiments in multi-class classification using data sets such as CIFAR-100 and CLOC we demonstrate the model's predictive ability and its flexibility in capturing non-stationarity.

Class-incremental learning (CIL) is a particularly challenging variant of continual learning, where the goal is to learn to discriminate between all classes presented in an incremental fashion. Existing approaches often suffer from excessive forgetting and imbalance of the scores assigned to classes that have not been seen together during training. In this study, we introduce a novel approach, Prediction Error-based Classification (PEC), which differs from traditional discriminative and generative classification paradigms. PEC computes a class score by measuring the prediction error of a model trained to replicate the outputs of a frozen random neural network on data from that class. The method can be interpreted as approximating a classification rule based on Gaussian Process posterior variance. PEC offers several practical advantages, including sample efficiency, ease of tuning, and effectiveness even when data are presented one class at a time. Our empirical results show that PEC performs strongly in single-pass-through-data CIL, outperforming other rehearsal-free baselines in all cases and rehearsal-based methods with moderate replay buffer size in most cases across multiple benchmarks.

Direct image alignment is a widely used technique for relative 6DoF pose estimation between two images, but its accuracy strongly depends on pose initialization.Therefore, recent end-to-end frameworks increase the convergence basin of the learned feature descriptors with special training objectives, such as the Gauss-Newton loss.However, the training data may exhibit bias toward a specific type of motion and pose initialization,thus limiting the generalization of these methods.In this work, we derive a closed-form solution to the expected optimum of the Gauss-Newton loss. The solution is agnostic to the underlying feature representation and allows us to dynamically adjust the basin of convergence according to our assumptions about the uncertainty in the current estimates. These properties allow for effective control over the convergence in the alignment process.Despite using self-supervised feature embeddings, our solution achieves compelling accuracy w.r.t. the state-of-the-art direct image alignment methods trained end-to-end with pose supervision, and demonstrates improved robustness to pose initialization.Our analytical solution exposes some inherent limitations of end-to-end learning with the Gauss-Newton loss, and establishes an intriguing connection between direct image alignment and feature-matching approaches.

Indirect experiments provide a valuable framework for estimating treatment effects in situations where conducting randomized control trials (RCTs) is impractical or unethical. Unlike RCTs, indirect experiments estimate treatment effects by leveraging (conditional) instrumental variables, enabling estimation through encouragement and recommendation rather than strict treatment assignment. However, the sample efficiency of such estimators depends not only on the inherent variability in outcomes but also on the varying compliance levels of users with the instrumental variables and the choice of estimator being used, especially when dealing with numerous instrumental variables. While adaptive experiment design has a rich literature for \textit{direct} experiments, in this paper we take the initial steps towards enhancing sample efficiency for \textit{indirect} experiments by adaptively designing a data collection policy over instrumental variables. Our main contribution is a practical computational procedure that utilizes influence functions to search for an optimal data collection policy, minimizing the mean-squared error of the desired (non-linear) estimator. Through experiments conducted in various domains inspired by real-world applications, we showcase how our method can significantly improve the sample efficiency of indirect experiments.

The rise in internet usage has led to the generation of massive amounts of data, resulting in the adoption of various supervised and semi-supervised machine learning algorithms, which can effectively utilize the colossal amount of data to train models. However, before deploying these models in the real world, these must be strictly evaluated on performance measures like worst-case recall and satisfy constraints such as fairness. We find that current state-of-the-art empirical techniques offer sub-optimal performance on these practical, non-decomposable performance objectives. On the other hand, the theoretical techniques necessitate training a new model from scratch for each performance objective. To bridge the gap, we propose SelMix, a selective mixup-based inexpensive fine-tuning technique for pre-trained models, to optimize for the desired objective. The core idea of our framework is to determine a sampling distribution to perform a mixup of features between samples from particular classes such that it optimizes the given objective. We comprehensively evaluate our technique against the existing empirical and theoretically principled methods on standard benchmark datasets for imbalanced classification. We find that proposed SelMix fine-tuning significantly improves the performance for various practical non-decomposable objectives across benchmarks.

Unsupervised pretraining, which learns a useful representation using a large amount of unlabeled data to facilitate the learning of downstream tasks, is a critical component of modern large-scale machine learning systems. Despite its tremendous empirical success, the rigorous theoretical understanding of why unsupervised pretraining generally helps remains rather limited---most existing results are restricted to particular methods or approaches for unsupervised pretraining with specialized structural assumptions. This paper studies a generic framework,where the unsupervised representation learning task is specified by an abstract class of latent variable models $\Phi$ and the downstream task is specified by a class of prediction functions $\Psi$. We consider a natural approach of using Maximum Likelihood Estimation (MLE) for unsupervised pretraining and Empirical Risk Minimization (ERM) for learning downstream tasks. We prove that, under a mild ``informative'' condition, our algorithm achieves an excess risk of $\\tilde{\\mathcal{O}}(\sqrt{\mathcal{C}\_\Phi/m} + \sqrt{\mathcal{C}\_\Psi/n})$ for downstream tasks, where $\mathcal{C}\_\Phi, \mathcal{C}\_\Psi$ are complexity measures of function classes $\Phi, \Psi$, and $m, n$ are the number of unlabeled and labeled data respectively. Comparing to the baseline of $\tilde{\mathcal{O}}(\sqrt{\mathcal{C}\_{\Phi \circ \Psi}/n})$ achieved by performing supervised learning using only the labeled data, our result rigorously shows the benefit of unsupervised pretraining when $m \gg n$ and $\mathcal{C}\_{\Phi\circ \Psi} > \mathcal{C}\_\Psi$. This paper further shows that our generic framework covers a wide range of approaches for unsupervised pretraining, including factor models, Gaussian mixture models, and contrastive learning.

Current state-of-the-art methods for object detection rely on annotated bounding boxes of large data sets for training. However, obtaining such annotations is expensive and can require up to hundreds of hours of manual labor. This poses a challenge, especially since such annotations can only be provided by experts, as they require knowledge about the scientific domain. To tackle this challenge, we propose a domain-specific weakly supervised object detection algorithm that only relies on image-level annotations, which are significantly easier to acquire. Our method distills the knowledge of a pre-trained model, on the task of predicting the presence or absence of a virus in an image, to obtain a set of pseudo-labels that can be used to later train a state-of-the-art object detection model. To do so, we use an optimization approach with a shrinking receptive field to extract virus particles directly without specific network architectures. Through a set of extensive studies, we show how the proposed pseudo-labels are easier to obtain, and, more importantly, are able to outperform other existing weak labeling methods, and even ground truth labels, in cases where the time to obtain the annotation is limited.

We present a unified framework for studying the identifiability of representations learned from simultaneously observed views, such as different data modalities. We allow a partially observed setting in which each view constitutes a nonlinear mixture of a subset of underlying latent variables, which can be causally related.We prove that the information shared across all subsets of any number of views can be learned up to a smooth bijection using contrastive learning and a single encoder per view. We also provide graphical criteria indicating which latent variables can be identified through a simple set of rules, which we refer to as identifiability algebra. Our general framework and theoretical results unify and extend several previous work on multi-view nonlinear ICA, disentanglement, and causal representation learning. We experimentally validate our claims on numerical, image, and multi-modal data sets. Further, we demonstrate that the performance of prior methods is recovered in different special cases of our setup. Overall, we find that access to multiple partial views offers unique opportunities for identifiable representation learning, enabling the discovery of latent structures from purely observational data.

We study the estimation of a planted signal hidden in a recently introduced nested matrix-tensor model, which is an extension of the classical spiked rank-one tensor model, motivated by multi-view clustering. Prior work has theoretically examined the performance of a tensor-based approach, which relies on finding a best rank-one approximation, a problem known to be computationally hard. A tractable alternative approach consists in computing instead the best rank-one (matrix) approximation of an unfolding of the observed tensor data, but its performance was hitherto unknown. We quantify here the performance gap between these two approaches, in particular by deriving the precise algorithmic threshold of the unfolding approach and demonstrating that it exhibits a BBP-type transition behavior. This work is therefore in line with recent contributions which deepen our understanding of why tensor-based methods surpass matrix-based methods in handling structured tensor data.

Real-world classifiers can benefit from the option of abstaining from predicting on samples where they have low confidence. Such abstention is particularly useful on samples which are close to the learned decision boundary, or which are outliers with respect to the training sample. These settings have been the subject of extensive but disjoint study in the selective classification (SC) and out-of-distribution (OOD) detection literature. Recent work on selective classification with OOD detection (SCOD) has argued for the unified study of these problems; however, the formal underpinnings of this problem are still nascent, and existing techniques are heuristic in nature. In this paper, we propose new plugin estimators for SCOD that are theoretically grounded, effective, and generalise existing approaches from the SC and OOD detection literature. In the course of our analysis, we formally explicate how naïve use of existing SC and OOD detection baselines may be inadequate for SCOD. We empirically demonstrate that our approaches yields competitive SC and OOD detection trade-offs compared to common baselines.

When considering a model architecture, there are several ways to reduce its memory footprint. Historically, popular approaches included selecting smaller architectures and creating sparse networks through pruning. More recently, randomized parameter-sharing (RPS) methods have gained traction for model compression atstart of training. In this paper, we comprehensively assess the trade-off betweenmemory and accuracy across RPS, pruning techniques, and building smaller models. Our findings demonstrate that RPS, which is both data and model-agnostic, consistently outperforms smaller models and all moderately informed pruning strategies, such as MAG, SNIP, SYNFLOW, and GRASP, across the entire compression range. This advantage becomes particularly pronounced in higher compression scenarios. Notably, even when compared to highly informed pruning techniques like Lottery Ticket Rewinding (LTR), RPS exhibits superior performance in high compression settings. This points out inherent capacity advantage that RPS enjoys over sparse models. Theoretically, we establish RPS as a superiortechnique in terms of memory-efficient representation when compared to pruningfor linear models. This paper argues in favor of paradigm shift towards RPS basedmodels. During our rigorous evaluation of RPS, we identified issues in the state-of-the-art RPS technique ROAST, specifically regarding stability (ROAST’s sensitivity to initialization hyperparameters, often leading to divergence) and Pareto-continuity (ROAST’s inability to recover the accuracy of the original model at zerocompression). We provably address both of these issues. We refer to the modifiedRPS, which incorporates our improvements, as STABLE-RPS

To promote the safe deployment of object detectors, a task of unsupervised out-of-distribution object detection (OOD-OD) is recently proposed, aiming to detect unknown objects during training without reliance on any auxiliary OOD data. To alleviate the impact of lacking OOD data, for this task, one feasible solution is to exploit the known in-distribution (ID) data to synthesize proper OOD information for supervision, which strengthens detectors' discrimination. From the frequency perspective, since the phase generally reflects the content of the input, in this paper, we explore leveraging the phase of ID features to generate expected OOD features involving different content. And a method of Modulated Phase Diffusion (MPD) is proposed, containing a shared forward and two different reverse processes. Specifically, after calculating the phase of the extracted features, to prevent the rapid loss of content in the phase, the forward process gradually performs Gaussian Average on the phase instead of adding noise. The averaged phase and original amplitude are combined to obtain the features taken as the input of the reverse process. Next, one OOD branch is defined to synthesize virtual OOD features by continually enlarging the content discrepancy between the OOD features and original ones. Meanwhile, another modulated branch is designed to generate augmented features owning a similar phase as the original features by scaling and shifting the OOD branch. Both original and augmented features are used for training, enhancing the discrimination. Experimental results on OOD-OD, incremental object detection, and open-set object detection demonstrate the superiorities of our method. The source code will be released at https://github.com/AmingWu/MPD.

Recent advances in natural language processing, primarily propelled by Large Language Models (LLMs), have showcased their remarkable capabilities grounded in in-context learning. A promising avenue for guiding LLMs in intricate reasoning tasks involves the utilization of intermediate reasoning steps within the Chain-of-Thought (CoT) paradigm. Nevertheless, the central challenge lies in the effective selection of exemplars for facilitating in-context learning. In this study, we introduce a framework that leverages Dual Queries and Low-rank approximation Re-ranking (DQ-LoRe) to automatically select exemplars for in-context learning. Dual Queries first query LLM to obtain LLM-generated knowledge such as CoT, then query the retriever to obtain the final exemplars via both question and the knowledge. Moreover, for the second query, LoRe employs dimensionality reduction techniques to refine exemplar selection, ensuring close alignment with the input question's knowledge. Through extensive experiments, we demonstrate that DQ-LoRe significantly outperforms prior state-of-the-art methods in the automatic selection of exemplars for GPT-4, enhancing performance from 92.5\% to 94.2\%. Our comprehensive analysis further reveals that DQ-LoRe consistently outperforms retrieval-based approaches in terms of both performance and adaptability, especially in scenarios characterized by distribution shifts. DQ-LoRe pushes the boundaries of in-context learning and opens up new avenues for addressing complex reasoning challenges.

Large text-to-video models trained on internet-scale data have demonstrated exceptional capabilities in generating high-fidelity videos from arbitrary textual descriptions. However, similar to proprietary language models, large text-to-video models are often black boxes whose weight parameters are not publicly available, posing a significant challenge to adapting these models to specific domains such as robotics, animation, and personalized stylization. Inspired by how a large language model can be prompted to perform new tasks without access to the model weights, we investigate how to adapt a black-box pretrained text-to-video model to a variety of downstream domains without weight access to the pretrained model. In answering this question, we propose \emph{\methodname}, which leverages the score function of a large pretrained video diffusion model as a probabilistic prior to guide the generation of a task-specific small video model. Our experiments show that, by incorporating broad knowledge and fidelity of the pretrained model probabilistically, a small model with as few as 1.25% parameters of the pretrained model can generate high-quality yet domain-specific videos for a variety of downstream domains such as animation, egocentric modeling, and modeling of simulated and real-world robotics data. As large text-to-video models starting to become available as a service similar to large language models, we advocate for private institutions to expose scores of video diffusion models as outputs in addition to generated videos to allow flexible adaptation of large pretrained text-to-video models by the general public.

We propose Hyper-Dimensional Function Encoding (HDFE). Given samples of a continuous object (e.g. a function), HDFE produces an explicit vector representation of the given object, invariant to the sample distribution and density. Sample distribution and density invariance enables HDFE to consistently encode continuous objects regardless of their sampling, and therefore allows neural networks to receive continuous objects as inputs for machine learning tasks, such as classification and regression. Besides, HDFE does not require any training and is proved to map the object into an organized embedding space, which facilitates the training of the downstream tasks. In addition, the encoding is decodable, which enables neural networks to regress continuous objects by regressing their encodings. Therefore, HDFE serves as an interface for processing continuous objects. We apply HDFE to function-to-function mapping, where vanilla HDFE achieves competitive performance with the state-of-the-art algorithm. We apply HDFE to point cloud surface normal estimation, where a simple replacement from PointNet to HDFE leads to 12\% and 15\% error reductions in two benchmarks. In addition, by integrating HDFE into the PointNet-based SOTA network, we improve the SOTA baseline by 2.5\% and 1.7\% on the same benchmarks.

Using unlabeled data to regularize the machine learning models has demonstrated promise for improving safety and reliability in detecting out-of-distribution (OOD) data. Harnessing the power of unlabeled in-the-wild data is non-trivial due to the heterogeneity of both in-distribution (ID) and OOD data. This lack of a clean set of OOD samples poses significant challenges in learning an optimal OOD classifier. Currently, there is a lack of research on formally understanding how unlabeled data helps OOD detection. This paper bridges the gap by introducing a new learning framework SAL (Separate And Learn) that offers both strong theoretical guarantees and empirical effectiveness. The framework separates candidate outliers from the unlabeled data and then trains an OOD classifier using the candidate outliers and the labeled ID data. Theoretically, we provide rigorous error bounds from the lens of separability and learnability, formally justifying the two components in our algorithm. Our theory shows that SAL can separate the candidate outliers with small error rates, which leads to a generalization guarantee for the learned OOD classifier. Empirically, SAL achieves state-of-the-art performance on common benchmarks, reinforcing our theoretical insights. Code is publicly available at https://github.com/deeplearning-wisc/sal.

Knowledge distillation aims to train a compact student network using soft supervision from a larger teacher network and hard supervision from ground truths. However, determining an optimal knowledge fusion ratio that balances these supervisory signals remains challenging. Prior methods generally resort to a constant or heuristic-based fusion ratio, which often falls short of a proper balance. In this study, we introduce a novel adaptive method for learning a sample-wise knowledge fusion ratio, exploiting both the correctness of teacher and student, as well as how well the student mimics the teacher on each sample. Our method naturally leads to the \textit{intra-sample} trilateral geometric relations among the student prediction ($\mathcal{S}$), teacher prediction ($\mathcal{T}$), and ground truth ($\mathcal{G}$). To counterbalance the impact of outliers, we further extend to the \textit{inter-sample} relations, incorporating the teacher's global average prediction ($\mathcal{\bar{T}})$ for samples within the same class. A simple neural network then learns the implicit mapping from the intra- and inter-sample relations to an adaptive, sample-wise knowledge fusion ratio in a bilevel-optimization manner. Our approach provides a simple, practical, and adaptable solution for knowledge distillation that can be employed across various architectures and model sizes. Extensive experiments demonstrate consistent improvements over other loss re-weighting methods on image classification, attack detection, and click-through rate prediction.

Classification models are ubiquitously deployed in society and necessitate high utility, fairness, and robustness performance. Current research efforts mainly focus on improving model architectures and learning algorithms on fixed datasets to achieve this goal. In contrast, in this paper, we address an orthogonal yet crucial problem: given a fixed convex learning model (or a convex surrogate for a non-convex model) and a function of interest, we assess what data benefits the model by interpreting the feature space, and then aim to improve performance as measured by this function. To this end, we propose the use of influence estimation models for interpreting the classifier's performance from the perspective of the data feature space. Additionally, we propose data selection approaches based on influence that enhance model utility, fairness, and robustness. Through extensive experiments on synthetic and real-world datasets, we validate and demonstrate the effectiveness of our approaches not only for conventional classification scenarios, but also under more challenging scenarios such as distribution shifts, fairness poisoning attacks, utility evasion attacks, online learning, and active learning.

Interference is ubiquitous when conducting causal experiments over networks. Except for certain network structures, causal inference on the network in the presence of interference is difficult due to the entanglement between the treatment assignments and the interference levels. In this article, we conduct causal inference under interference on an observed, sparse, but connected network, and we propose a novel design of experiments based on an independent set. Compared to conventional designs, the independent-set design focuses on an independent subset of data and controls their interference exposures through the assignments to the rest (auxiliary set). We provide a lower bound on the size of the independent set from a greedy algorithm and justify the theoretical performance of estimators under the proposed design. Our approach is capable of estimating both spillover effects and treatment effects. We justify its superiority over conventional methods and illustrate the empirical performance through simulations.

We address causal reasoning in multivariate time series data generated by stochastic processes. Existing approaches are largely restricted to static settings, ignoring the continuity and emission of variations across time. In contrast, we propose a learning paradigm that directly establishes causation between events in the course of time. We present two key lemmas to compute causal contributions and frame them as reinforcement learning problems. Our approach offers formal and computational tools for uncovering and quantifying causal relationships in diffusion processes, subsuming various important settings such as discrete-time Markov decision processes. Finally, in fairly intricate experiments and through sheer learning, our framework reveals and quantifies causal links, which otherwise seem inexplicable.

State-of-the-art methods for conditional average treatment effect (CATE) estimation make widespread use of representation learning. Here, the idea is to reduce the variance of the low-sample CATE estimation by a (potentially constrained) low-dimensional representation. However, low-dimensional representations can lose information about the observed confounders and thus lead to bias, because of which the validity of representation learning for CATE estimation is typically violated. In this paper, we propose a new, representation-agnostic refutation framework for estimating bounds on the representation-induced confounding bias that comes from dimensionality reduction (or other constraints on the representations) in CATE estimation. First, we establish theoretically under which conditions CATE is non-identifiable given low-dimensional (constrained) representations. Second, as our remedy, we propose a neural refutation framework which performs partial identification of CATE or, equivalently, aims at estimating lower and upper bounds of the representation-induced confounding bias. We demonstrate the effectiveness of our bounds in a series of experiments. In sum, our refutation framework is of direct relevance in practice where the validity of CATE estimation is of importance.

Estimating individual treatment effects in clinical data is essential for understanding how different patients uniquely respond to treatments and identifying the most effective interventions for specific patient subgroups, thereby enhancing the precision and personalization of healthcare. However, counterfactual data are not accessible, and the true calculation of causal effects cannot be performed at the individual level. This paper proposes a linear algebraic framework to generate counterfactual longitudinal data that exactly matches pre-treatment factual data. Because causation travels forward in time, not in reverse, counterfactual predictability is further strengthened by blocking causal effects from flowing back to the past, thus limiting counterfactual dependence on the future. Using simulated LDL cholesterol datasets, we show that our method significantly outperforms the most cited methods of counterfactual generation. We also provide a formula that can estimate the time-varying variance of individual treatment effects, interpreted as a confidence level in the generated counterfactuals compared to true values.

Current approaches to Video Question Answering (VideoQA) primarily focus on cross-modality matching, which is limited by the requirement for extensive data annotations and the insufficient capacity for causal reasoning (e.g. attributing accidents). To address these challenges, we introduce a causal framework for video reasoning, termed Learning Latent Causal Processes (LLCP). At the heart of LLCP lies a multivariate generative model designed to analyze the spatial-temporal dynamics of objects within events. Leveraging the inherent modularity of causal mechanisms, we train the model through self-supervised local auto-regression eliminating the need for annotated question-answer pairs. During inference, the model is applied to answer two types of reasoning questions: accident attribution, which infers the cause from observed effects, and counterfactual prediction, which predicts the effects of counterfactual conditions given the factual evidence. In the first scenario, we identify variables that deviate from the established distribution by the learned model, signifying the root cause of accidents. In the second scenario, we replace embeddings of previous variables with counterfactual ones, enabling us to forecast potential developments. Once we have identified these cause/effect variables, natural language answers are derived through a combination of grammatical parsing and a pre-trained vision-language model. We assess the efficacy of LLCP on both synthetic and real-world data, demonstrating comparable performance to supervised methods despite our framework using no paired textual annotations.

In this paper, we present Consistent4D, a novel approach for generating 4D dynamic objects from uncalibrated monocular videos. Uniquely, we cast the 360-degree dynamic object reconstruction as a 4D generation problem, eliminating the need for tedious multi-view data collection and camera calibration. This is achieved by leveraging the object-level 3D-aware image diffusion model as the primary supervision signal for training dynamic Neural Radiance Fields (DyNeRF). Specifically, we propose a cascade DyNeRF to facilitate stable convergence and temporal continuity under the time-discrete supervision signal. To achieve spatial and temporal consistency of the 4D generation, an interpolation-driven consistency loss is further introduced, which aligns the rendered frames with the interpolated frames from a pre-trained video interpolation model. Extensive experiments show that the proposed Consistent4D significantly outperforms previous 4D reconstruction approaches as well as per-frame 3D generation approaches, opening up new possibilities for 4D dynamic object generation from a single-view uncalibrated video. Project page: https://consistent4d.github.io

When a machine learning (ML) model exhibits poor quality (e.g., poor accuracy or fairness), the problem can often be traced back to errors in the training data. Being able to discover the data examples that are the most likely culprits is a fundamental concern that has received a lot of attention recently. One prominent way to measure "data importance" with respect to model quality is the Shapley value. Unfortunately, existing methods only focus on the ML model in isolation, without considering the broader ML pipeline for data preparation and feature extraction, which appears in the majority of real-world ML code. This presents a major limitation to applying existing methods in practical settings. In this paper, we propose Datascope, a method for efficiently computing Shapley-based data importance over ML pipelines. We introduce several approximations that lead to dramatic improvements in terms of computational speed. Finally, our experimental evaluation demonstrates that our methods are capable of data error discovery that is as effective as existing Monte Carlo baselines, and in some cases even outperform them. We release our code as an open-source data debugging library available at https://github.com/easeml/datascope.

Modern neural networks are known to give overconfident predictions for out-of-distribution inputs when deployed in the open world. It is common practice to leverage a surrogate outlier dataset to regularize the model during training, and recent studies emphasize the role of uncertainty in designing the sampling strategy for outlier datasets. However, the OOD samples selected solely based on predictive uncertainty can be biased towards certain types, which may fail to capture the full outlier distribution. In this work, we empirically show that diversity is critical in sampling outliers for OOD detection performance. Motivated by the observation, we propose a straightforward and novel sampling strategy named DOS (Diverse Outlier Sampling) to select diverse and informative outliers. Specifically, we cluster the normalized features at each iteration, and the most informative outlier from each cluster is selected for model training with absent category loss. With DOS, the sampled outliers efficiently shape a globally compact decision boundary between ID and OOD data. Extensive experiments demonstrate the superiority of DOS, reducing the average FPR95 by up to 25.79% on CIFAR-100 with TI-300K.

Convolutional neural network (CNN) is easily affected by backdoor injections, whose models perform normally on clean samples but produce specific outputs on poisoned ones. Most of the existing studies have focused on the effect of trigger feature changes of poisoned samples on model generalization in spatial domain. We focus on the mechanism of CNN memorize poisoned samples in frequency domain, and find that CNN generate generalization to poisoned samples by memorizing the frequency domain distribution of trigger changes. We also explore the influence of trigger perturbations in different frequency domain components on the generalization of poisoned models from visible and invisible backdoor attacks, and prove that high-frequency components are more susceptible to perturbations than low-frequency components. Based on the above fundings, we propose a universal invisible strategy for visible triggers, which can achieve trigger invisibility while maintaining raw attack performance. We also design a novel frequency domain backdoor attack method based on low-frequency semantic information, which can achieve 100\% attack accuracy on multiple models and multiple datasets, and can bypass multiple defenses.

For more than a decade, researchers have measured progress in object recognition on the ImageNet dataset along with its associated generalization benchmarks such as ImageNet-A, -C, and -R. Recent advances in foundation models, trained on orders of magnitude more data, have begun to saturate performance on these benchmarks. Despite this progress, even today’s best models are brittle in practice. As a step toward more holistic measurement of model reliability, we propose studying performance on crowdsourced, global datasets, which contain natural distribution shifts seen practically in deployment. We perform a comprehensive empirical study on two crowdsourced, globally representative datasets, evaluating nearly 100 vision models to uncover several concerning empirical trends: first, that progress on crowdsourced, global data has significantly lagged behind standard benchmarks, with advances on ImageNet occurring at $2.5x$ the rate of progress on crowdsourced, global data. Second, we find that progress on standard benchmarks has failed to improve or exacerbated geographic disparities: geographic disparities between the least performant models and today's best models have more than tripled. We showcase the promise of using more curated and/or representative training datasets for mitigating these trends, and emphasize curation of web-scale, geographically representative training datasets as a critical open problem for the research community.

Gradient inversion attacks aim to reconstruct local training data from intermediate gradients exposed in the federated learning framework. Despite successful attacks, all previous methods, starting from reconstructing a single data point and then relaxing the single-image limit to batch level, are only tested under hard label constraints. Even for single-image reconstruction, we still lack an analysis-based algorithm to recover augmented soft labels. In this work, we change the focus from enlarging batchsize to investigating the hard label constraints, considering a more realistic circumstance where label smoothing and mixup techniques are used in the training process. In particular, we are the first to initiate a novel algorithm to simultaneously recover the ground-truth augmented label and the input feature of the last fully-connected layer from single-input gradients, and provide a necessary condition for any analytical-based label recovery methods. Extensive experiments testify to the label recovery accuracy, as well as the benefits to the following image reconstruction. We believe soft labels in classification tasks are worth further attention in gradient inversion attacks.

Data attribution seeks to trace model outputs back to training data. With the recent development of diffusion models, data attribution has become a desired module to properly assign valuations for high-quality or copyrighted training samples, ensuring that data contributors are fairly compensated or credited. Several theoretically motivated methods have been proposed to implement data attribution, in an effort to improve the trade-off between computational scalability and effectiveness. In this work, we conduct extensive experiments and ablation studies on attributing diffusion models, specifically focusing on DDPMs trained on CIFAR-10 and CelebA, as well as a Stable Diffusion model LoRA-finetuned on ArtBench. Intriguingly, we report counter-intuitive observations that theoretically unjustified design choices for attribution empirically outperform previous baselines by a large margin, in terms of both linear datamodeling score and counterfactual evaluation. Our work presents a significantly more efficient approach for attributing diffusion models, while the unexpected findings suggest that at least in non-convex settings, constructions guided by theoretical assumptions may lead to inferior attribution performance. The code is available at https://github.com/sail-sg/D-TRAK.

Influence estimation analyzes how changes to the training data can lead to different model predictions; this analysis can help us better understand these predictions, the models making those predictions, and the data sets they are trained on. However, most influence-estimation techniques are designed for deep learning models with continuous parameters. Gradient-boosted decision trees (GBDTs) are a powerful and widely-used class of models; however, these models are black boxes with opaque decision-making processes. In the pursuit of better understanding GBDT predictions and generally improving these models, we adapt recent and popular influence-estimation methods designed for deep learning models to GBDTs. Specifically, we adapt representer-point methods and TracIn, denoting our new methods TREX and BoostIn, respectively; source code is available at https://github.com/jjbrophy47/treeinfluence. We compare these methods to LeafInfluence and other baselines using 5 different evaluation measures on 22 real-world data sets with 4 popular GBDT implementations. These experiments give us a comprehensive overview of how different approaches to influence estimation work in GBDT models. We find BoostIn is an efficient influence-estimation method for GBDTs that performs equally well or better than existing work while being four orders of magnitude faster. Our evaluation also suggests the gold-standard approach of leave-one-out (LOO) retraining consistently identifies the single-most influential training example but performs poorly at finding the most influential set of training examples for a given target prediction.

This study aims to prove the emergence of symbolic concepts (or more precisely, sparse primitive inference patterns) in well-trained deep neural networks (DNNs). Specifically, we prove the following three conditions for the emergence. (i) The high-order derivatives of the network output with respect to the input variables are all zero. (ii) The DNN can be used on occluded samples, and when the input sample is less occluded, the DNN will yield higher confidence. (iii) The confidence of the DNN does not significantly degrade on occluded samples. These conditions are quite common, and we prove that under these conditions, the DNN will only encode a relatively small number of sparse interactions between input variables. Moreover, we can consider such interactions as symbolic primitive inference patterns encoded by a DNN, because we show that inference scores of the DNN on an exponentially large number of randomly masked samples can always be well mimicked by numerical effects of just a few interactions.

This paper proposes a novel interpretation technique to explain the behavior of structured output models, which simultaneously learn mappings between an input vector and a set of output variables. As a result of the complex relationships between the computational path of output variables in structured models, a feature may impact an output value via other output variables. We focus on one of the outputs as the target and try to find the most important features adopted by the structured model to decide on the target in each locality of the input space. We consider an arbitrary structured output model available as a black-box and argue that considering correlations among output variables can improve explanation quality. The goal is to train a function as an interpreter for the target output variable over the input space. We introduce an energy-based training process for the interpreter function, which effectively considers the structural information incorporated into the model to be explained. The proposed method's effectiveness is confirmed using various simulated and real data sets.

Image attribution algorithms aim to identify important regions that are highly relevant to model decisions. Although existing attribution solutions can effectively assign importance to target elements, they still face the following challenges: 1) existing attribution methods generate inaccurate small regions thus misleading the direction of correct attribution, and 2) the model cannot produce good attribution results for samples with wrong predictions. To address the above challenges, this paper re-models the above image attribution problem as a submodular subset selection problem, aiming to enhance model interpretability using fewer regions. To address the lack of attention to local regions, we construct a novel submodular function to discover more accurate small interpretation regions. To enhance the attribution effect for all samples, we also impose four different constraints on the selection of sub-regions, i.e., confidence, effectiveness, consistency, and collaboration scores, to assess the importance of various subsets. Moreover, our theoretical analysis substantiates that the proposed function is in fact submodular. Extensive experiments show that the proposed method outperforms SOTA methods on two face datasets (Celeb-A and VGG-Face2) and one fine-grained dataset (CUB-200-2011). For correctly predicted samples, the proposed method improves the Deletion and Insertion scores with an average of 4.9\% and 2.5\% gain relative to HSIC-Attribution. For incorrectly predicted samples, our method achieves gains of 81.0\% and 18.4\% compared to the HSIC-Attribution algorithm in the average highest confidence and Insertion score respectively. The code is released at https://github.com/RuoyuChen10/SMDL-Attribution.

Recent advancements in learning-based Multi-View Stereo (MVS) methods have prominently featured transformer-based models with attention mechanisms. However, existing approaches have not thoroughly investigated the profound influence of transformers on different MVS modules, resulting in limited depth estimation capabilities. In this paper, we introduce MVSFormer++, a method that prudently maximizes the inherent characteristics of attention to enhance various components of the MVS pipeline. Formally, our approach involves infusing cross-view information into the pre-trained DINOv2 model to facilitate MVS learning. Furthermore, we employ different attention mechanisms for the feature encoder and cost volume regularization, focusing on feature and spatial aggregations respectively. Additionally, we uncover that some design details would substantially impact the performance of transformer modules in MVS, including normalized 3D positional encoding, adaptive attention scaling, and the position of layer normalization. Comprehensive experiments on DTU, Tanks-and-Temples, BlendedMVS, and ETH3D validate the effectiveness of the proposed method. Notably, MVSFormer++ achieves state-of-the-art performance on the challenging DTU and Tanks-and-Temples benchmarks. Codes and models are available at https://github.com/maybeLx/MVSFormerPlusPlus.

There is increasing interest in methods for extracting interpretable rules from ML models trained to solve a wide range of tasks over knowledge graphs (KGs), such as KG completion, node classification, question answering and recommendation. Many such approaches, however, lack formal guarantees establishing the precise relationship between the model and the extracted rules, and this lack of assurance becomes especially problematic when the extracted rules are applied in safety-critical contexts or to ensure compliance with legal requirements. Recent research has examined whether the rules derived from the influential Neural-LP model exhibit soundness (or completeness), which means that the results obtained by applying the model to any dataset always contain (or are contained in) the results obtained by applying the rules to the same dataset. In this paper, we extend this analysis to the context of DRUM, an approach that has demonstrated superior practical performance. After observing that the rules currently extracted from a DRUM model can be unsound and/or incomplete, we propose a novel algorithm where the output rules, expressed in an extension of Datalog, ensure both soundness and completeness. This algorithm, however, can be inefficient in practice and hence we propose additional constraints to DRUM models facilitating rule extraction, albeit at the expense of reduced expressive power.

A recent trend in explainable AI research has focused on surrogate modeling, where neural networks are approximated as simpler ML algorithms such as kernel machines. A second trend has been to utilize kernel functions in various explain-by-example or data attribution tasks. In this work, we combine these two trends to analyze approximate empirical neural tangent kernels (eNTK) for data attribution. Approximation is critical for eNTK analysis due to the high computational cost to compute the eNTK. We define new approximate eNTK and perform novel analysis on how well the resulting kernel machine surrogate models correlate with the underlying neural network. We introduce two new random projection variants of approximate eNTK which allow users to tune the time and memory complexity of their calculation. We conclude that kernel machines using approximate neural tangent kernel as the kernel function are effective surrogate models, with the introduced trace NTK the most consistent performer.

Fairness, especially group fairness, is an important consideration in the context of machine learning systems. The most commonly adopted group fairness-enhancing techniques are in-processing methods that rely on a mixture of a fairness objective (e.g., demographic parity) and a task-specific objective (e.g., cross-entropy) during the training process. However, when data arrives in an online fashion – one instance at a time – optimizing such fairness objectives poses several challenges. In particular, group fairness objectives are defined using expectations of predictions across different demographic groups. In the online setting, where the algorithm has access to a single instance at a time, estimating the group fairness objective requires additional storage and significantly more computation (e.g., forward/backward passes) than the task-specific objective at every time step. In this paper, we propose Aranyani, an ensemble of oblique decision trees, to make fair decisions in online settings. The hierarchical tree structure of Aranyani enables parameter isolation and allows us to efficiently compute the fairness gradients using aggregate statistics of previous decisions, eliminating the need for additional storage and forward/backward passes. We also present an efficient framework to train Aranyani and theoretically analyze several of its properties. We conduct empirical evaluations on 5 publicly available benchmarks (including vision and language datasets) to show that Aranyani achieves a better accuracy-fairness trade-off compared to baseline approaches.

Code Large Language Models (Code LLMs) are being increasingly employed in real-life applications, so evaluating them is critical. While the conventional accuracy evaluates the performance of Code LLMs on a set of individual tasks, their self-consistency across different tasks is overlooked. Intuitively, a trustworthy model should be self-consistent when generating natural language specifications for its own code and generating code for its own specifications. Failure to preserve self-consistency reveals a lack of understanding of the shared semantics underlying natural language and programming language, and therefore undermines the trustworthiness of a model. In this paper, we first formally define the self-consistency of Code LLMs and then design a framework, IdentityChain, which effectively and efficiently evaluates the self-consistency and conventional accuracy of a model at the same time. We study eleven Code LLMs and show that they fail to preserve self-consistency, which is indeed a distinct aspect from conventional accuracy. Furthermore, we show that IdentityChain can be used as a model debugging tool to expose weaknesses of Code LLMs by demonstrating three major weaknesses that we identify in current models using IdentityChain. Our code is available at https://github.com/marcusm117/IdentityChain.

Training and deploying machine learning models that meet fairness criteria for protected groups are fundamental in modern artificial intelligence. While numerous constraints and regularization terms have been proposed in the literature to promote fairness in machine learning tasks, most of these approaches are not amenable to stochastic optimization due to the complex and nonlinear structure of constraints and regularizers. Here, the term ``stochastic'' refers to the ability of the algorithm to work with small mini-batches of data. Motivated by the limitation of existing literature, this paper presents a unified stochastic optimization framework for fair empirical risk minimization based on $f$-divergence measures ($f$-FERM). The proposed stochastic algorithm enjoys theoretical convergence guarantees. In addition, our experiments demonstrate the superiority of fairness-accuracy tradeoffs offered by $f$-FERM for almost all batch sizes (ranging from full-batch to batch size of one). Moreover, we show that our framework can be extended to the case where there is a distribution shift from training to the test data. Our extension is based on a distributionally robust optimization reformulation of $f$-FERM objective under $\ell_p$ norms as uncertainty sets. Again, in this distributionally robust setting, $f$-FERM not only enjoys theoretical convergence guarantees but also outperforms other baselines in the literature in the tasks involving distribution shifts. An efficient stochastic implementation of $f$-FERM is publicly available.

Out-of-distribution (OOD) detection aims to detect testing samples far away from the in-distribution (ID) training data, which is crucial for the safe deployment of machine learning models in the real world. Distance-based OOD detection methods have emerged with enhanced deep representation learning. They identify unseen OOD samples by measuring their distances from ID class centroids or prototypes. However, existing approaches learn the representation relying on oversimplified data assumptions, e.g. modeling ID data of each class with one centroid class prototype or using loss functions not designed for OOD detection, which overlook the natural diversities within the data. Naively enforcing data samples of each class to be compact around only one prototype leads to inadequate modeling of realistic data and limited performance. To tackle these issues, we propose PrototypicAl Learning with a Mixture of prototypes (PALM) that models each class with multiple prototypes to capture the sample diversities, which learns more faithful and compact samples embeddings for enhanching OOD detection. Our method automatically identifies and dynamically updates prototypes, assigning each sample to a subset of prototypes via reciprocal neighbor soft assignment weights. To learn embeddings with multiple prototypes, PALM optimizes a maximum likelihood estimation (MLE) loss to encourage the sample embeddings to compact around the associated prototypes, as well as a contrastive loss on all prototypes to enhance intra-class compactness and inter-class discrimination at the prototype level. Compared to previous methods with prototypes, the proposed mixture prototype modeling of PALM promotes the representations of each ID class to be more compact and separable from others and the unseen OOD samples, resulting in more reliable OOD detection. Moreover, the automatic estimation of prototypes enables our approach to be extended to the challenging OOD detection task with unlabelled ID data. Extensive experiments demonstrate the superiority of PALM over previous methods, achieving state-of-the-art average AUROC performance of 93.82 on the challenging CIFAR-100 benchmark.

Causal explanations of the predictions of NLP systems are essential to ensure safety and establish trust. Yet, existing methods often fall short of explaining model predictions effectively or efficiently and are often model-specific. In this paper, we address model-agnostic explanations, proposing two approaches for counterfactual (CF) approximation. The first approach is CF generation, where a large language model (LLM) is prompted to change a specific text concept while keeping confounding concepts unchanged. While this approach is demonstrated to be very effective, applying LLM at inference-time is costly. We hence present a second approach based on matching, and propose a method that is guided by an LLM at training-time and learns a dedicated embedding space. This space is faithful to a given causal graph and effectively serves to identify matches that approximate CFs. After showing theoretically that approximating CFs is required in order to construct faithful explanations, we benchmark our approaches and explain several models, including LLMs with billions of parameters. Our empirical results demonstrate the excellent performance of CF generation models as model-agnostic explainers. Moreover, our matching approach, which requires far less test-time resources, also provides effective explanations, surpassing many baselines. We also find that Top-K techniques universally improve every tested method. Finally, we showcase the potential of LLMs in constructing new benchmarks for model explanation and subsequently validate our conclusions. Our work illuminates new pathways for efficient and accurate approaches to interpreting NLP systems.

Asynchronous federated learning, which enables local clients to send their model update asynchronously to the server without waiting for others, has recently emerged for its improved efficiency and scalability over traditional synchronized federated learning. In this paper, we study how the asynchronous delay affects the convergence of asynchronous federated learning under non-i.i.d. distributed data across clients. Through the theoretical convergence analysis of one representative asynchronous federated learning algorithm under standard nonconvex stochastic settings, we show that the asynchronous delay can largely slow down the convergence, especially with high data heterogeneity. To further improve the convergence of asynchronous federated learning under heterogeneous data distributions, we propose a novel asynchronous federated learning method with a cached update calibration. Specifically, we let the server cache the latest update for each client and reuse these variables for calibrating the global update at each round. We theoretically prove the convergence acceleration for our proposed method under nonconvex stochastic settings. Extensive experiments on several vision and language tasks demonstrate our superior performances compared to other asynchronous federated learning baselines.

Powered by large-scale pre-training, vision foundation models exhibit significant potential in open-world image understanding. However, unlike large language models that excel at directly tackling various language tasks, vision foundation models require a task-specific model structure followed by fine-tuning on specific tasks. In this work, we present $\textbf{Matcher}$, a novel perception paradigm that utilizes off-the-shelf vision foundation models to address various perception tasks. Matcher can segment anything by using an in-context example without training. Additionally, we design three effective components within the Matcher framework to collaborate with these foundation models and unleash their full potential in diverse perception tasks. Matcher demonstrates impressive generalization performance across various segmentation tasks, all without training. For example, it achieves 52.7% mIoU on COCO-20$^i$ with one example, surpassing the state-of-the-art specialist model by 1.6%. In addition, Matcher achieves 33.0% mIoU on the proposed LVIS-92$^i$ for one-shot semantic segmentation, outperforming the state-of-the-art generalist model by 14.4%. Our visualization results further showcase the open-world generality and flexibility of Matcher when applied to images in the wild.

Hierarchical vision transformers (ViTs) have two advantages over conventional ViTs. First, hierarchical ViTs achieve linear computational complexity with respect to image size by local self-attention. Second, hierarchical ViTs create hierarchical feature maps by merging image patches in deeper layers for dense prediction. However, existing pruning methods ignore the unique properties of hierarchical ViTs and use the magnitude value as the weight importance. This approach leads to two main drawbacks. First, the "local" attention weights are compared at a "global" level, which may cause some "locally" important weights to be pruned due to their relatively small magnitude "globally". The second issue with magnitude pruning is that it fails to consider the distinct weight distributions of the network, which are essential for extracting coarse to fine-grained features at various hierarchical levels. To solve the aforementioned issues, we have developed a Data-independent Module-Aware Pruning method (DIMAP) to compress hierarchical ViTs. To ensure that "local" attention weights at different hierarchical levels are compared fairly in terms of their contribution, we treat them as a module and examine their contribution by analyzing their information distortion. Furthermore, we introduce a novel weight metric that is solely based on weights and does not require input images, thereby eliminating the dependence on the patch merging process. Our method validates its usefulness and strengths on Swin Transformers of different sizes on ImageNet-1k classification. Notably, the top-5 accuracy drop is only 0.07% when we remove 52.5% FLOPs and 52.7% parameters of Swin-B. When we reduce 33.2% FLOPs and 33.2% parameters of Swin-S, we can even achieve a 0.8% higher relative top-5 accuracy than the original model. Code is available at: https://github.com/he-y/Data-independent-Module-Aware-Pruning.

Recently, GPT-4 has become the de facto evaluator for long-form text generated by large language models (LLMs). However, for practitioners and researchers with large and custom evaluation tasks, GPT-4 is unreliable due to its closed-source nature, uncontrolled versioning, and prohibitive costs. In this work, we propose PROMETHEUS a fully open-source LLM that is on par with GPT-4’s evaluation capabilities when the appropriate reference materials (reference answer, score rubric) are accompanied. For this purpose, we construct a new dataset – FEEDBACK COLLECTION – that consists of 1K fine-grained score rubrics, 20K instructions, and 100K natural language feedback generated by GPT-4. Using the FEEDBACK COLLECTION, we train PROMETHEUS, a 13B evaluation-specific LLM that can assess any given response based on novel and unseen score rubrics and reference materials provided by the user. Our dataset’s versatility and diversity make our model generalize to challenging real-world criteria, such as prioritizing conciseness, child-readability, or varying levels of formality. We show that PROMETHEUS shows a stronger correlation with GPT-4 evaluation compared to ChatGPT on seven evaluation benchmarks (Two Feedback Collection testsets, MT Bench, Vicuna Bench, Flask Eval, MT Bench Human Judgment, and HHH Alignment), showing the efficacy of our model and dataset design. During human evaluation with hand-crafted score rubrics, PROMETHEUS shows a Pearson correlation of 0.897 with human evaluators, which is on par with GPT-4-0613 (0.882), and greatly outperforms ChatGPT (0.392). Remarkably, when assessing the quality of the generated feedback, PROMETHEUS demonstrates a win rate of 58.62% when compared to GPT-4 evaluation and a win rate of 79.57% when compared to ChatGPT evaluation. Our findings suggests that by adding reference materials and training on GPT-4 feedback, we can obtain effective open-source evaluator LMs.

Zero-shot talking avatar generation aims at synthesizing natural talking videos from speech and a single portrait image. Previous methods have relied on domain-specific heuristics such as warping-based motion representation and 3D Morphable Models, which limit the naturalness and diversity of the generated avatars. In this work, we introduce GAIA (Generative AI for Avatar), which eliminates the domain priors in talking avatar generation. In light of the observation that the speech only drives the motion of the avatar while the appearance of the avatar and the background typically remain the same throughout the entire video, we divide our approach into two stages: 1) disentangling each frame into motion and appearance representations; 2) generating motion sequences conditioned on the speech and reference portrait image. We collect a large-scale high-quality talking avatar dataset and train the model on it with different scales (up to 2B parameters). Experimental results verify the superiority, scalability, and flexibility of GAIA as 1) the resulting model beats previous baseline models in terms of naturalness, diversity, lip-sync quality, and visual quality; 2) the framework is scalable since larger models yield better results; 3) it is general and enables different applications like controllable talking avatar generation and text-instructed avatar generation.

Instance-level image classification tasks have traditionally relied on single-instance labels to train models, e.g., few-shot learning and transfer learning. However, set-level coarse-grained labels that capture relationships among instances can provide richer information in real-world scenarios. In this paper, we present a novel approach to enhance instance-level image classification by leveraging set-level labels. We provide a theoretical analysis of the proposed method, including recognition conditions for fast excess risk rate, shedding light on the theoretical foundations of our approach. We conducted experiments on two distinct categories of datasets: natural image datasets and histopathology image datasets. Our experimental results demonstrate the effectiveness of our approach, showcasing improved classification performance compared to traditional single-instance label-based methods. Notably, our algorithm achieves 13\% improvement in classification accuracy compared to the strongest baseline on the histopathology image classification benchmarks. Importantly, our experimental findings align with the theoretical analysis, reinforcing the robustness and reliability of our proposed method. This work bridges the gap between instance-level and set-level image classification, offering a promising avenue for advancing the capabilities of image classification models with set-level coarse-grained labels.

Instruction tuning is a standard technique employed to align large language models to end tasks and user preferences after the initial pretraining phase. Recent research indicates the critical role of data engineering in instruction tuning -- when appropriately selected, only limited data is necessary to achieve superior performance. However, we still lack a principled understanding of what makes good instruction tuning data for alignment, and how we should select data automatically and effectively. In this work, we delve deeply into automatic data selection strategies for alignment. We start with controlled studies to measure data across three dimensions: complexity, quality, and diversity, along which we examine existing methods and introduce novel techniques for enhanced data measurement. Subsequently, we propose a simple strategy to select data samples based on the measurement. We present Deita (short for Data-Efficient Instruction Tuning for Alignment), a series of models fine-tuned from LLaMA models using data samples automatically selected with our proposed approach. When assessed through both automatic metrics and human evaluation, Deita performs better or on par with the state-of-the-art open-source alignment models such as Vicuna and WizardLM with only 6K training data samples -- 10x less than the data used in the baselines. We anticipate this work to provide clear guidelines and tools on automatic data selection, aiding researchers and practitioners in achieving data-efficient alignment.

Text-guided diffusion models have revolutionized image generation and editing, offering exceptional realism and diversity. Specifically, in the context of diffusion-based editing, where a source image is edited according to a target prompt, the process commences by acquiring a noisy latent vector corresponding to the source image via the diffusion model. This vector is subsequently fed into separate source and target diffusion branches for editing. The accuracy of this inversion process significantly impacts the final editing outcome, influencing both essential content preservation of the source image and edit fidelity according to the target prompt. Prior inversion techniques aimed at finding a unified solution in both the source and target diffusion branches. However, our theoretical and empirical analyses reveal that disentangling these branches leads to a distinct separation of responsibilities for preserving essential content and ensuring edit fidelity. Building on this insight, we introduce “PnP Inversion,” a novel technique achieving optimal performance of both branches with just three lines of code. To assess image editing performance, we present PIE-Bench, an editing benchmark with 700 images showcasing diverse scenes and editing types, accompanied by versatile annotations and comprehensive evaluation metrics. Compared to state-of-the-art optimization-based inversion techniques, our solution not only yields superior performance across 8 editing methods but also achieves nearly an order of speed-up.

This paper introduces RETSim (Resilient and Efficient Text Similarity), a lightweight, multilingual deep learning model trained to produce robust metric embeddings for near-duplicate text retrieval, clustering, and dataset deduplication tasks. We demonstrate that RETSim is significantly more robust and accurate than MinHash and neural text embeddings, achieving new state-of-the-art performance on dataset deduplication, adversarial text retrieval benchmarks, and spam clustering tasks. Additionally, we introduce the W4NT3D benchmark (Wiki-40B 4dversarial Near-T3xt Dataset), enabling the evaluation of models on typo-laden near-duplicate text retrieval in a multilingual setting. RETSim and the W4NT3D benchmark are released under the MIT License at https://github.com/google/unisim.

Training a high-quality deep neural network requires choosing suitable hyperparameters, which is a non-trivial and expensive process. Current works try to automatically optimize or design principles of hyperparameters, such that they can generalize to diverse unseen scenarios. However, most designs of principles or optimization methods are agnostic to the choice of network structures, and thus largely ignore the impact of neural architectures on hyperparameters. In this work, we precisely characterize the dependence of initializations and maximal learning rates on the network architecture, which includes the network depth, width, convolutional kernel size, and connectivity patterns. By pursuing every parameter to be maximally updated with the same mean squared change in pre-activations, we can generalize our initialization and learning rates across MLPs (multi-layer perception) and CNNs (convolutional neural network) with sophisticated graph topologies. We verify our principles with comprehensive experiments. More importantly, our strategy further sheds light on advancing current benchmarks for architecture design. A fair comparison of AutoML algorithms requires accurate network rankings. However, we demonstrate that network rankings can be easily changed by better training networks in benchmarks with our architecture-aware learning rates and initialization.

The advancements in automatic text-to-3D generation have been remarkable. Most existing methods use pre-trained text-to-image diffusion models to optimize 3D representations like Neural Radiance Fields (NeRFs) via latent-space denoising score matching. Yet, these methods often result in artifacts and inconsistencies across different views due to their suboptimal optimization approaches and limited understanding of 3D geometry. Moreover, the inherent constraints of NeRFs in rendering crisp geometry and stable textures usually lead to a two-stage optimization to attain high-resolution details. This work proposes holistic sampling and smoothing approaches to achieve high-quality text-to-3D generation, all in a single-stage optimization. We compute denoising scores in the text-to-image diffusion model's latent and image spaces. Instead of randomly sampling timesteps (also referred to as noise levels in denoising score matching), we introduce a novel timestep annealing approach that progressively reduces the sampled timestep throughout optimization. To generate high-quality renderings in a single-stage optimization, we propose regularization for the variance of z-coordinates along NeRF rays. To address texture flickering issues in NeRFs, we introduce a kernel smoothing technique that refines importance sampling weights coarse-to-fine, ensuring accurate and thorough sampling in high-density regions. Extensive experiments demonstrate the superiority of our method over previous approaches, enabling the generation of highly detailed and view-consistent 3D assets through a single-stage training process.

This paper introduces Instruction-oriented Object Detection (IOD), a new task that enhances human-computer interaction by enabling object detectors to understand user instructions and locate relevant objects. Unlike traditional open-vocabulary object detection tasks that rely on users providing a list of required category names, IOD requires models to comprehend natural-language instructions, contextual reasoning, and output the name and location of the desired categories. This poses fresh challenges for modern object detection systems. To develop an IOD system, we create a dataset called IOD-Bench, which consists of instruction-guided detections, along with specialized evaluation metrics. We leverage large-scale language models (LLMs) to generate a diverse set of instructions (8k+) based on existing public object detection datasets, covering a wide range of real-world scenarios. As an initial approach to the IOD task, we propose a model called Ins-DetCLIP. It harnesses the extensive knowledge within LLMs to empower the detector with instruction-following capabilities. Specifically, our Ins-DetCLIP employs a visual encoder (i.e., DetCLIP, an open-vocabulary detector) to extract object-level features. These features are then aligned with the input instructions using a cross-modal fusion module integrated into a pre-trained LLM. Experimental results conducted on IOD-Bench demonstrate that our model consistently outperforms baseline methods that directly combine LLMs with detection models. This research aims to pave the way for a more adaptable and versatile interaction paradigm in modern object detection systems, making a significant contribution to the field.

Following the success of transformer-based methods across various machine learning applications, their adoption for healthcare predictive tasks using electronic health records (EHRs) has also expanded extensively. Similarly, graph-based methods have been shown to be very effective in capturing inherent graph-type relationships in EHRs, leading to improved downstream performance. Although integrating these two families of approaches seems like a natural next step, in practice, creating such a design is challenging and has not been done. This is partly due to known EHR problems, such as high sparsity, making extracting meaningful temporal representations of medical visits challenging. In this study, we propose GT-BEHRT, a new approach that leverages temporal visit embeddings extracted from a graph transformer and uses a BERT-based model to obtain more robust patient representations, especially on longer EHR sequences. The graph-based approach allows GT-BEHRT to implicitly capture the intrinsic graphical relationships between medical observations, while the BERT model extracts the temporal relationships between visits, loosely mimicking the clinicians' decision-making process. As part of our method, we also present a two-step pre-training strategy for learning better graphical and temporal representations. Our proposed method achieves state-of-the-art performance in a variety of standard medical predictive tasks, demonstrating the versatility of our approach.

In this work, we present an approach to construct a video-based robot policy capable of reliably executing diverse tasks across different robots and environments from few video demonstrations without using any action annotations. Our method leverages images as a task-agnostic representation, encoding both the state and action information, and text as a general representation for specifying robot goals. By synthesizing videos that "hallucinate" robot executing actions and in combination with dense correspondences between frames, our approach can infer the closed-formed action to execute to an environment without the need of any explicit action labels. This unique capability allows us to train the policy solely based on RGB videos and deploy learned policies to various robotic tasks. We demonstrate the efficacy of our approach in learning policies on table-top manipulation and navigation tasks. Additionally, we contribute an open-source framework for efficient video modeling, enabling the training of high-fidelity policy models with four GPUs within a single day.

Prompt learning for vision-language models, e.g., CoOp, has shown great success in adapting CLIP to different downstream tasks, making it a promising solution for federated learning due to computational reasons. Existing prompt learning techniques replace hand-crafted text prompts with learned vectors that offer improvements on seen classes, but struggle to generalize to unseen classes. Our work addresses this challenge by proposing Federated Text-driven Prompt Generation (FedTPG), which learns a unified prompt generation network across multiple remote clients in a scalable manner. The prompt generation network is conditioned on task-related text input, thus is context-aware, making it suitable to generalize for both seen and unseen classes. Our comprehensive empirical evaluations on nine diverse image classification datasets show that our method is superior to existing federated prompt learning methods, achieving better overall generalization on both seen and unseen classes, as well as datasets.

While artificial intelligence has made remarkable strides in revealing the relationship between biological macromolecules' primary sequence and tertiary structure, designing RNA sequences based on specified tertiary structures remains challenging. Though existing approaches in protein design have thoroughly explored structure-to-sequence dependencies in proteins, RNA design still confronts difficulties due to structural complexity and data scarcity. Moreover, direct transplantation of protein design methodologies into RNA design fails to achieve satisfactory outcomes although sharing similar structural components. In this study, we aim to systematically construct a data-driven RNA design pipeline. We crafted a large, well-curated benchmark dataset and designed a comprehensive structural modeling approach to represent the complex RNA tertiary structure. More importantly, we proposed a hierarchical data-efficient representation learning framework that learns structural representations through contrastive learning at both cluster-level and sample-level to fully leverage the limited data. By constraining data representations within a limited hyperspherical space, the intrinsic relationships between data points could be explicitly imposed. Moreover, we incorporated extracted secondary structures with base pairs as prior knowledge to facilitate the RNA design process. Extensive experiments demonstrate the effectiveness of our proposed method, providing a reliable baseline for future RNA design tasks. The source code and benchmark dataset are available at https://github.com/A4Bio/RDesign.

We study the problem of residual error estimation for matrix and vector norms using a linear sketch. Such estimates can be used, for example, to quickly assess how useful a more expensive low-rank approximation computation will be. The matrix case concerns the Frobenius norm and the task is to approximate the $k$-residual $\|A - A_k\|_F$ of the input matrix $A$ within a $(1+\epsilon)$-factor, where $A_k$ is the optimal rank-$k$ approximation. We provide a tight bound of $\Theta(k^2/\epsilon^4)$ on the size of bilinear sketches, which have the form of a matrix product $SAT$. This improves the previous $O(k^2/\epsilon^6)$ upper bound in (Andoni et al. SODA 2013) and gives the first non-trivial lower bound, to the best of our knowledge. In our algorithm, our sketching matrices $S$ and $T$ can both be sparse matrices, allowing for a very fast update time. We demonstrate that this gives a substantial advantage empirically, for roughly the same sketch size and accuracy as in previous work. For the vector case, we consider the $\ell_p$-norm for $p>2$, where the task is to approximate the $k$-residual $\|x - x_k\|_p$ up to a constant factor, where $x_k$ is the optimal $k$-sparse approximation to $x$. Such vector norms are frequently studied in the data stream literature and are useful for finding frequent items or so-called heavy hitters. We establish an upper bound of $O(k^{2/p}n^{1-2/p}\operatorname{poly}(\log n))$ for constant $\epsilon$ on the dimension of a linear sketch for this problem. Our algorithm can be extended to the $\ell_p$ sparse recovery problem with the same sketching dimension, which seems to be the first such bound for $p > 2$. We also show an $\Omega(k^{2/p}n^{1-2/p})$ lower bound for the sparse recovery problem, which is tight up to a $\mathrm{poly}(\log n)$ factor.

Large Language Models (LLMs) have achieved remarkable success in reasoning tasks with the development of prompting methods. However, existing prompting approaches cannot reuse insights of solving similar problems and suffer from accumulated errors in multi-step reasoning, since they prompt LLMs to reason \textit{from scratch}.To address these issues, we propose \textbf{\textit{Thought Propagation} (TP)}, which explores the analogous problems and leverages their solutions to enhance the complex reasoning ability of LLMs.These analogous problems are related to the input one, with reusable solutions and problem-solving strategies.Thus, it is promising to propagate insights of solving previous analogous problems to inspire new problem-solving. To achieve this, TP first prompts LLMs to propose and solve a set of analogous problems that are related to the input one. Then, TP reuses the results of analogous problems to directly yield a new solution or derive a knowledge-intensive plan for execution to amend the initial solution obtained from scratch.TP is compatible with existing prompting approaches, allowing plug-and-play generalization and enhancement in a wide range of tasks without much labor in task-specific prompt engineering. Experiments across three challenging tasks demonstrate TP enjoys a substantial improvement over the baselines by an average of 12\% absolute increase in finding the optimal solutions in Shortest-path Reasoning, 13\% improvement of human preference in Creative Writing, and 15\% enhancement in the task completion rate of LLM-Agent Planning.

We introduce a deterministic variational formulation for training Bayesian last layer neural networks. This yields a sampling-free, single-pass model and loss that effectively improves uncertainty estimation. Our variational Bayesian last layer (VBLL) can be trained and evaluated with only quadratic complexity in last layer width, and is thus (nearly) computationally free to add to standard architectures. We experimentally investigate VBLLs, and show that they improve predictive accuracy, calibration, and out of distribution detection over baselines across both regression and classification. Finally, we investigate combining VBLL layers with variational Bayesian feature learning, yielding a lower variance collapsed variational inference method for Bayesian neural networks.

Elliptic partial differential equations (PDEs) are a major class of time-independent PDEs that play a key role in many scientific and engineering domains such as fluid dynamics, plasma physics, and solid mechanics. Recently, neural operators have emerged as a promising technique to solve elliptic PDEs more efficiently by directly mapping the input to solutions. However, existing networks typically neglect complex geometries and inhomogeneous boundary values present in the real world. Here we introduce Boundary-Embedded Neural Operators (BENO), a novel neural operator architecture that embeds the complex geometries and inhomogeneous boundary values into the solving of elliptic PDEs. Inspired by classical Green's function, BENO consists of two Graph Neural Networks (GNNs) for interior source term and boundary values, respectively. Furthermore, a Transformer encoder maps the global boundary geometry into a latent vector which influences each message passing layer of the GNNs. We test our model and strong baselines extensively in elliptic PDEs with complex boundary conditions. We show that all existing baseline methods fail to learn the solution operator. In contrast, our model, endowed with boundary-embedded architecture, outperforms state-of-the-art neural operators and strong baselines by an average of 60.96%.

Traditionally, Machine Translation (MT) Evaluation has been treated as a regression problem -- producing an absolute translation-quality score. This approach has two limitations: i) the scores lack interpretability, and human annotators struggle with giving consistent scores; ii) most scoring methods are based on (reference, translation) pairs, limiting their applicability in real-world scenarios where references are absent. In practice, we often care about whether a new MT system is better or worse than some competitors. In addition, reference-free MT evaluation is increasingly practical and necessary. Unfortunately, these two practical considerations have yet to be jointly explored. In this work, we formulate the reference-free MT evaluation into a pairwise ranking problem. Given the source sentence and a pair of translations, our system predicts which translation is better. In addition to proposing this new formulation, we further show that this new paradigm can demonstrate superior correlation with human judgments by merely using indirect supervision from natural language inference and weak supervision from our synthetic data. In the context of reference-free evaluation, MT-Ranker, trained without any human annotations, achieves state-of-the-art results on the WMT Shared Metrics Task benchmarks DARR20, MQM20, and MQM21. On a more challenging benchmark, ACES, which contains fine-grained evaluation criteria such as addition, omission, and mistranslation errors, MT-Ranker marks state-of-the-art against reference-free as well as reference-based baselines.

Learning features from data is one of the defining characteristics of deep learning,but the theoretical understanding of the role features play in deep learning is still inearly development. To address this gap, we introduce a new tool, the interactiontensor, for empirically analyzing the interaction between data and model throughfeatures. With the interaction tensor, we make several key observations abouthow features are distributed in data and how models with different random seedslearn different features. Based on these observations, we propose a conceptualframework for feature learning. Under this framework, the expected accuracy for asingle hypothesis and agreement for a pair of hypotheses can both be derived inclosed form. We demonstrate that the proposed framework can explain empiricallyobserved phenomena, including the recently discovered Generalization Disagreement Equality (GDE) that allows for estimating the generalization error with onlyunlabeled data. Further, our theory also provides explicit construction of naturaldata distributions that break the GDE. Thus, we believe this work provides valuablenew insight into our understanding of feature learning.

Sparse Mixture-of-Experts (SMoE) has gained increasing popularity as a promising framework for scaling up multilingual machine translation (MMT) models with negligible extra computational overheads. However, current SMoE solutions neglect the intrinsic structures of the MMT problem: ($a$) $\textit{Linguistics Hierarchy.}$ Languages are naturally grouped according to their lingual properties like genetic families, phonological characteristics, etc; ($b$) $\textit{Language Complexity.}$ The learning difficulties are varied for diverse languages due to their grammar complexity, available resources, etc. Therefore, routing a fixed number of experts (e.g., $1$ or $2$ experts in usual) only at the word level leads to inferior performance. To fill in the missing puzzle, we propose $\textbf{\texttt{Lingual-SMoE}}$ by equipping the SMoE with adaptive and linguistic-guided routing policies. Specifically, it ($1$) extracts language representations to incorporate linguistic knowledge and uses them to allocate experts into different groups; ($2$) determines the number of activated experts for each target language in an adaptive and automatic manner, according to their translation difficulties, which aims to mitigate the potential over-/under-fitting issues of learning simple/challenges translations. Sufficient experimental studies on MMT benchmarks with {$16$, $50$, $100$} language pairs and various network architectures, consistently validate the superior performance of our proposals. For instance, $\texttt{Lingual-SMoE}$ outperforms its dense counterpart by over $5\%$ BLEU scores on $\texttt{OPUS-100}$ dataset.

Reasoning on knowledge graphs is a challenging task because it utilizes observed information to predict the missing one. Particularly, answering complex queries based on first-order logic is one of the crucial tasks to verify learning to reason abilities for generalization and composition.Recently, the prevailing method is query embedding which learns the embedding of a set of entities and treats logic operations as set operations and has shown great empirical success. Though there has been much research following the same formulation, many of its claims lack a formal and systematic inspection. In this paper, we rethink this formulation and justify many of the previous claims by characterizing the scope of queries investigated previously and precisely identifying the gap between its formulation and its goal, as well as providing complexity analysis for the currently investigated queries. Moreover, we develop a new dataset containing ten new types of queries with features that have never been considered and therefore can provide a thorough investigation of complex queries. Finally, we propose a new neural-symbolic method, Fuzzy Inference with Truth value (FIT), where we equip the neural link predictors with fuzzy logic theory to support end-to-end learning using complex queries with provable reasoning capability. Empirical results show that our method outperforms previous methods significantly in the new dataset and also surpasses previous methods in the existing dataset at the same time.

We prove an inverse approximation theorem for the approximation of nonlinear sequence-to-sequence relationships using recurrent neural networks (RNNs). This is a so-called Bernstein-type result in approximation theory, which deduces properties of a target function under the assumption that it can be effectively approximated by a hypothesis space. In particular, we show that nonlinear sequence relationships that can be stably approximated by nonlinear RNNs must have an exponential decaying memory structure - a notion that can be made precise. This extends the previously identified curse of memory in linear RNNs into the general nonlinear setting, and quantifies the essential limitations of the RNN architecture for learning sequential relationships with long-term memory. Based on the analysis, we propose a principled reparameterization method to overcome the limitations. Our theoretical results are confirmed by numerical experiments.

$K$-means clustering is a widely used machine learning method for identifying patterns in large datasets. Recently, semidefinite programming (SDP) relaxations have been proposed for solving the $K$-means optimization problem, which enjoy strong statistical optimality guarantees. However, the prohibitive cost of implementing an SDP solver renders these guarantees inaccessible to practical datasets. In contrast, nonnegative matrix factorization (NMF) is a simple clustering algorithm widely used by machine learning practitioners, but it lacks a solid statistical underpinning and theoretical guarantees. In this paper, we consider an NMF-like algorithm that solves a nonnegative low-rank restriction of the SDP-relaxed $K$-means formulation using a nonconvex Burer--Monteiro factorization approach. The resulting algorithm is as simple and scalable as state-of-the-art NMF algorithms while also enjoying the same strong statistical optimality guarantees as the SDP. In our experiments, we observe that our algorithm achieves significantly smaller mis-clustering errors compared to the existing state-of-the-art while maintaining scalability.

We consider the problem of sampling from a logconcave distribution $\pi(\theta) \propto e^{-f(\theta)}$ constrained to a polytope $K:=${$\theta \in \mathbb{R}^d: A\theta \leq b$}, where $A\in \mathbb{R}^{m\times d}$ and $b \in \mathbb{R}^m$. The fastest-known algorithm for the setting when $f$ is $O(1)$-Lipschitz or $O(1)$-smooth runs in roughly $O(md \times md^{\omega -1})$ arithmetic operations, where the $md^{\omega -1}$ term arises because each Markov chain step requires computing a matrix inversion and determinant ($\omega \approx 2.37$ is the matrix multiplication constant). We present a nearly-optimal implementation of this Markov chain with per-step complexity that is roughly the number of non-zero entries of $A$ while the number of Markov chain steps remains the same. The key technical ingredients are 1) to show that the matrices that arise in this Dikin walk change slowly, 2) to deploy efficient linear solvers which can leverage this slow change to speed up matrix inversion by using information computed in previous steps, and 3) to speed up the computation of the determinantal term in the Metropolis filter step via a randomized Taylor series-based estimator. This result directly improves the runtime for applications that involve sampling from Gibbs distributions constrained to polytopes that arise in Bayesian statistics and private optimization.

The recent advancements in large language models (LLMs) have sparked a growing apprehension regarding the potential misuse. One approach to mitigating this risk is to incorporate watermarking techniques into LLMs, allowing for the tracking and attribution of model outputs. This study examines a crucial aspect of watermarking: how significantly watermarks impact the quality of model-generated outputs. Previous studies have suggested a trade-off between watermark strength and output quality. However, our research demonstrates that it is possible to integrate watermarks without affecting the output probability distribution with appropriate implementation. We refer to this type of watermark as an unbiased watermark. This has significant implications for the use of LLMs, as it becomes impossible for users to discern whether a service provider has incorporated watermarks or not. Furthermore, the presence of watermarks does not compromise the performance of the model in downstream tasks, ensuring that the overall utility of the language model is preserved. Our findings contribute to the ongoing discussion around responsible AI development, suggesting that unbiased watermarks can serve as an effective means of tracking and attributing model outputs without sacrificing output quality.

We show that large language models (LLMs) can be adapted to be generalizable policies for embodied visual tasks. Our approach, called Large LAnguage model Reinforcement Learning Policy (LLaRP), adapts a pre-trained frozen LLM to take as input text instructions and visual egocentric observations and output actions directly in the environment. Using reinforcement learning, we train LLaRP to see and act solely through environmental interactions. We show that LLaRP is robust to complex paraphrasings of task instructions and can generalize to new tasks that require novel optimal behavior. In particular, on 1,000 unseen tasks it achieves 42% success rate, 1.7x the success rate of other common learned baselines or zero-shot applications of LLMs. Finally, to aid the community in studying language conditioned, massively multi-task, embodied AI problems we release a novel benchmark, Language Rearrangement, consisting of 150,000 training and 1,000 testing tasks for language-conditioned rearrangement.

Exploring rich environments and evaluating one's actions without prior knowledge is immensely challenging. In this paper, we propose Motif, a general method to interface such prior knowledge from a Large Language Model (LLM) with an agent. Motif is based on the idea of grounding LLMs for decision-making without requiring them to interact with the environment: it elicits preferences from an LLM over pairs of captions to construct an intrinsic reward, which is then used to train agents with reinforcement learning. We evaluate Motif's performance and behavior on the challenging, open-ended and procedurally-generated NetHack game. Surprisingly, by only learning to maximize its intrinsic reward, Motif achieves a higher game score than an algorithm directly trained to maximize the score itself. When combining Motif's intrinsic reward with the environment reward, our method significantly outperforms existing approaches and makes progress on tasks where no advancements have ever been made without demonstrations. Finally, we show that Motif mostly generates intuitive human-aligned behaviors which can be steered easily through prompt modifications, while scaling well with the LLM size and the amount of information given in the prompt.

In recent years, data quality has emerged as an important factor for training massive models. Analytical theories suggest that higher-quality data can lead to lower test errors in models trained on a fixed data budget. Moreover, a model can be trained on a lower compute budget without compromising performance if a dataset can be stripped of its redundancies. Coreset selection (or data pruning) seeks to select a subset of the training data so as to maximize the performance of models trained on this subset, also referred to as coreset. There are two dominant approaches: (1) geometry-based data selection for maximizing *data diversity* in the coreset, and (2) functions that assign *difficulty scores* to samples based on training dynamics. Optimizing for data diversity leads to a coreset that is biased towards easier samples, whereas, selection by difficulty ranking omits easy samples that are necessary for the training of deep learning models. This demonstrates that data diversity and importance scores are two complementary factors that need to be jointly considered during coreset selection. In this work, we represent a dataset as an undirected graph and propose a novel pruning algorithm, $\mathbb{D}^2$ Pruning, that uses message passing over this dataset graph for coreset selection. $\mathbb{D}^2$ Pruning updates the difficulty scores of each example by incorporating the difficulty of its neighboring examples in the dataset graph. Then, these updated difficulty scores direct a graph-based sampling method to select a coreset that encapsulates both diverse and difficult regions of the dataset space. We evaluate supervised and self-supervised versions of our method on various vision and NLP datasets. Results show that $\mathbb{D}^2$ Pruning improves coreset selection over previous state-of-the-art methods at low-to-medium pruning rates. Additionally, we find that using $\mathbb{D}^2$ Pruning for filtering large multimodal datasets leads to increased diversity in the dataset and improved generalization of pretrained models. Our work shows that $\mathbb{D}^2$ Pruning is a versatile framework for understanding and processing datasets.

Structural pruning of neural networks conventionally relies on identifying and discarding less important neurons, a practice often resulting in significant accuracy loss that necessitates subsequent fine-tuning efforts. This paper introduces a novel approach named Intra-Fusion, challenging this prevailing pruning paradigm.Unlike existing methods that focus on designing meaningful neuron importance metrics, Intra-Fusion redefines the overlying pruning procedure.Through utilizing the concepts of model fusion and Optimal Transport, we leverage an agnostically given importance metric to arrive at a more effective sparse model representation.Notably, our approach achieves substantial accuracy recovery without the need for resource-intensive fine-tuning, making it an efficient and promising tool for neural network compression.Additionally, we explore how fusion can be added to the pruning process to significantly decrease the training time while maintaining competitive performance. We benchmark our results for various networks on commonly used datasets such as CIFAR-10, CIFAR-100, and ImageNet. More broadly, we hope that the proposed Intra-Fusion approach invigorates exploration into a fresh alternative to the predominant compression approaches.Our code is available here.

Large vision-language models (LVLMs) have shown remarkable abilities in understanding visual information with human languages. However, LVLMs still suffer from object hallucination, which is the problem of generating descriptions that include objects that do not actually exist in the images. This can negatively impact many vision-language tasks, such as visual summarization and reasoning. To address this issue, we propose a simple yet powerful algorithm, LVLM Hallucination Revisor (LURE), to post-hoc rectify object hallucination in LVLMs by reconstructing less hallucinatory descriptions. LURE is grounded in a rigorous statistical analysis of the key factors underlying object hallucination, including co-occurrence (the frequent appearance of certain objects alongside others in images), uncertainty (objects with higher uncertainty during LVLM decoding), and object position (hallucination often appears in the later part of the generated text). LURE can also be seamlessly integrated with any LVLMs. We evaluate LURE on six open-source LVLMs and found it outperforms the previous best approach in both general object hallucination evaluation metrics, GPT, and human evaluations.

Continual learning has gained increasing importance as it facilitates the acquisition and refinement of scalable knowledge and skills in language models. However, existing methods typically encounter strict limitations and challenges in real-world scenarios, such as reliance on experience replay, optimization constraints, and inference task-ID. In this study, we introduce the Scalable Language Model (SLM) to overcome these limitations within a more challenging and generalized setting, representing a significant advancement toward practical applications for continual learning. Specifically, we propose the Joint Adaptive Re-Parameterization (JARe), integrated with Dynamic Task-related Knowledge Retrieval (DTKR), to enable adaptive adjustment of language models based on specific downstream tasks. This approach leverages the task distribution within the vector space, aiming to achieve a smooth and effortless continual learning process. Our method demonstrates state-of-the-art performance on diverse backbones and benchmarks, achieving effective continual learning in both full-set and few-shot scenarios with minimal forgetting. Moreover, while prior research primarily focused on a single task type such as classification, our study goes beyond, with the large language model, i.e., LLaMA-2, to explore the effects across diverse domains and task types, such that a single language model can be decently scaled to broader applications. The code and models will be released to the public.

In learning an embodied agent executing daily tasks via language directives, the literature largely assumes that the agent learns all training data at the beginning. We argue that such a learning scenario is less realistic, since a robotic agent is supposed to learn the world continuously as it explores and perceives it. To take a step towards a more realistic embodied agent learning scenario, we propose two continual learning setups for embodied agents; learning new behaviors (Behavior Incremental Learning, Behavior-IL) and new environments (Environment Incremental Learning, Environment-IL) For the tasks, previous ‘data prior’ based continual learning methods maintain logits for the past tasks. However, the stored information is often insufficiently learned information and requires task boundary information, which might not always be available. Here, we propose to update them based on confidence scores without task boundary information (i.e., task-free) in a moving average fashion, named Confidence-Aware Moving Average (CAMA). In the proposed challenging Behavior-IL and Environment-IL setups, our simple CAMA outperforms prior arts in our empirical validations by noticeable margins.

The diffusion model has been successfully used in many computer vision applications, such as text-guided image generation and image-to-image translation. Recently, there have been attempts on extending the diffusion model for time series data. However, these extensions are fairly straightforward and do not utilize the unique properties of time series data. As different patterns are usually exhibited at multiple scales of a time series, we in this paper leverage this multi-resolution temporal structure and propose the multi-resolution diffusion model (mr-Diff). By using the seasonal-trend decomposition, we sequentially extract fine-to-coarse trends from the time series for forward diffusion. The denoising process then proceeds in an easy-to-hard non-autoregressive manner. The coarsest trend is generated first. Finer details are progressively added, using the predicted coarser trends as condition variables. Experimental results on nine real-world time series datasets demonstrate that mr-Diff outperforms state-of-the-art time series diffusion models. It is also better than or comparable across a wide variety of advanced time series prediction models.

Scaling Transformers to longer sequence lengths has been a major problem in the last several years, promising to improve performance in language modeling and high-resolution image understanding, as well as to unlock new applications in code, audio, and video generation. The attention layer is the main bottleneck in scaling to longer sequences, as its runtime and memory increase quadratically in the sequence length. FlashAttention [5] exploits the asymmetric GPU memory hierarchy to bring significant memory saving (linear instead of quadratic) and runtime speedup (2-4× compared to optimized baselines), with no approximation. However, FlashAttention is still not nearly as fast as optimized matrix-multiply (GEMM) operations, reaching only 25-40% of the theoretical maximum FLOPs/s. We observe that the inefficiency is due to suboptimal work partitioning between different thread blocks and warps on the GPU, causing either low-occupancy or unnecessary shared memory reads/writes. We propose FlashAttention-2, with better work partitioning to address these issues. In particular, we (1) tweak the algorithm to reduce the number of non-matmul FLOPs (2) parallelize the attention computation, even for a single head, across different thread blocks to increase occupancy, and (3) within each thread block, distribute the work between warps to reduce communication through shared memory. These yield around 2× speedup compared to FlashAttention, reaching 50-73% of the theoretical maximum FLOPs/s on A100 and getting close to the efficiency of GEMM operations. We empirically validate that when used end-to-end to train GPT-style models, FlashAttention-2 reaches training speed of up to 225 TFLOPs/s per A100 GPU (72% model FLOPs utilization).

The ROC curve is the major tool for assessing not only the performance but also the fairness properties of a similarity scoring function. In order to draw reliable conclusions based on empirical ROC analysis, accurately evaluating the uncertainty level related to statistical versions of the ROC curves of interest is absolutely necessary, especially for applications with considerable societal impact such as Face Recognition. In this article, we prove asymptotic guarantees for empirical ROC curves of similarity functions as well as for by-product metrics useful to assess fairness. We also explain that, because the false acceptance/rejection rates are of the form of U-statistics in the case of similarity scoring, the naive bootstrap approach may jeopardize the assessment procedure. A dedicated recentering technique must be used instead. Beyond the theoretical analysis carried out, various experiments using real face image datasets provide strong empirical evidence of the practical relevance of the methods promoted here, when applied to several ROC-based measures such as popular fairness metrics.

Text generation under constraints have seen increasing interests in natural language processing, especially with the rapidly improving capabilities of large language models. However, existing benchmarks for constrained generation usually focus on fixed constraint types (e.g. generate a sentence containing certain words) that have proved to be easy for state-of-the-art models like GPT-4. We present COLLIE, a grammar-based framework that allows the specification of rich, compositional constraints with diverse generation levels (word, sentence, paragraph, passage) and modeling challenges (e.g. language understanding, logical reasoning, counting, semantic planning). We also develop tools for automatic extraction of task instances given a constraint structure and a raw text corpus. Using COLLIE, we compile the COLLIE-v1 dataset with 1,132 instances comprising 13 constraint structures. We perform systematic experiments across five state-of-the-art instruction-tuned language models and analyze their performances to reveal shortcomings. COLLIE is designed to be extensible and lightweight, and we hope the community finds it useful to develop more complex constraints and evaluations in the future.

Neural Radiance Fields (NeRF) has received much attention recently due to its impressive capability to represent 3D scene and synthesize novel view images. Existing works usually assume that the input images are captured by a global shutter camera. Thus, rolling shutter (RS) images cannot be trivially applied to an off-the-shelf NeRF algorithm for novel view synthesis. Rolling shutter effect would also affect the accuracy of the camera pose estimation (e.g. via COLMAP), which further prevents the success of NeRF algorithm with RS images.In this paper, we propose Unrolling Shutter Bundle Adjusted Neural Radiance Fields (USB-NeRF). USB-NeRF is able to correct rolling shutter distortions and recover accurate camera motion trajectory simultaneously under the framework of NeRF, by modeling the physical image formation process of a RS camera.Experimental results demonstrate that USB-NeRF achieves better performance compared to prior works, in terms of RS effect removal, novel view image synthesis as well as camera motion estimation. Furthermore, our algorithm can also be used to recover high-fidelity high frame-rate global shutter video from a sequence of RS images.

Optimizing and certifying the positivity of polynomials are fundamental primitives across mathematics and engineering applications, from dynamical systems to operations research. However, solving these problems in practice requires large semidefinite programs, with poor scaling in dimension and degree. In this work, we demonstrate for the first time that neural networks can effectively solve such problems in a data-driven fashion, achieving tenfold speedups while retaining high accuracy. Moreover, we observe that these polynomial learning problems are equivariant to the non-compact group $SL(2,\mathbb{R})$, which consists of area-preserving linear transformations. We therefore adapt our learning pipelines to accommodate this structure, including data augmentation, a new $SL(2,\mathbb{R})$-equivariant architecture, and an architecture equivariant with respect to its maximal compact subgroup, $SO(2, \mathbb{R})$. Surprisingly, the most successful approaches in practice do not enforce equivariance to the entire group, which we prove arises from an unusual lack of architecture universality for $SL(2,\mathbb{R})$ in particular. A consequence of this result, which is of independent interest, is that there exists an equivariant function for which there is no sequence of equivariant polynomials multiplied by arbitrary invariants that approximates the original function. This is a rare example of a symmetric problem where data augmentation outperforms a fully equivariant architecture, and provides interesting lessons in both theory and practice for other problems with non-compact symmetries.

We introduce DIFFTACTILE, a physics-based differentiable tactile simulation system designed to enhance robotic manipulation with dense and physically accurate tactile feedback. In contrast to prior tactile simulators which primarily focus on manipulating rigid bodies and often rely on simplified approximations to model stress and deformations of materials in contact, DIFFTACTILE emphasizes physics-based contact modeling with high fidelity, supporting simulations of diverse contact modes and interactions with objects possessing a wide range of material properties. Our system incorporates several key components, including a Finite Element Method (FEM)-based soft body model for simulating the sensing elastomer, a multi-material simulator for modeling diverse object types (such as elastic, elastoplastic, cables) under manipulation, a penalty-based contact model for handling contact dynamics. The differentiable nature of our system facilitates gradient-based optimization for both 1) refining physical properties in simulation using real-world data, hence narrowing the sim-to-real gap and 2) efficient learning of tactile-assisted grasping and contact-rich manipulation skills. Additionally, we introduce a method to infer the optical response of our tactile sensor to contact using an efficient pixel-based neural module. We anticipate that DIFFTACTILE will serve as a useful platform for studying contact-rich manipulations, leveraging the benefits of dense tactile feedback and differentiable physics. Code and supplementary materials are available at the project website https://difftactile.github.io/.

Teams that have trained large Transformer-based models have reported training instabilities at large scale that did not appear when training with the same hyperparameters at smaller scales. Although the causes of such instabilities are of scientific interest, the amount of resources required to reproduce them has made investigation difficult. In this work, we seek ways to reproduce and study training instability at smaller scales. First, we focus on two sources of training instability described in previous work: the growth of logits in attention layers (Dehghani et al., 2023) and divergence of the output logits from the log probabilities (Chowdhery et al., 2022). By measuring the relationship between learning rate and loss across scales, we show that these instabilities also appear in small models when training at high learning rates, and that mitigations previously employed at large scales are equally effective in this regime. This prompts us to investigate the extent to which other known optimizer and model interventions influence the sensitivity of the final loss to changes in the learning rate. To this end, we study methods such as warm-up, weight decay, and the MuParam (Yang et al., 2022), and combine techniques to train small models that achieve similar losses across orders of magnitude of learning rate variation. Finally, to conclude our exploration we study two cases where instabilities can be predicted before they emerge by examining the scaling behavior of model characteristics such as activation and gradient norms.

Congestion is a common failure mode of markets, where consumers compete inefficiently on the same subset of goods (e.g., chasing the same small set of properties on a vacation rental platform). The typical economic story is that prices decongest by balancing supply and demand. But in modern online marketplaces, prices are typically set in a decentralized way by sellers, and the information about items is inevitably partial. The power of a platform is limited to controlling representations---the subset of information about items presented by default to users. This motivates the present study of decongestion by representation, where a platform seeks to learn representations that reduce congestion and thus improve social welfare. The technical challenge is twofold: relying only on revealed preferences from the choices of consumers, rather than true preferences; and the combinatorial problem associated with representations that determine the features to reveal in the default view. We tackle both challenges by proposing a differentiable proxy of welfare that can be trained end-to-end on consumer choice data. We develop sufficient conditions for when decongestion promotes welfare, and present the results of extensive experiments on both synthetic and real data that demonstrate the utility of our approach.

We find that large language models (LLMs) are more likely to modify human-written text than AI-generated text when tasked with rewriting. This tendency arises because LLMs often perceive AI-generated text as high-quality, leading to fewer modifications. We introduce a method to detect AI-generated content by prompting LLMs to rewrite text and calculating the editing distance of the output. We dubbed our geneRative AI Detection viA Rewriting method Raidar. Raidar significantly improves the F1 detection scores of existing AI content detection models -- both academic and commercial -- across various domains, including News, creative writing, student essays, code, Yelp reviews, and arXiv papers, with gains of up to 29 points. Operating solely on word symbols without high-dimensional features, our method is compatible with black box LLMs, and is inherently robust on new content. Our results illustrate the unique imprint of machine-generated text through the lens of the machines themselves.

Collaborative perception aims to mitigate the limitations of single-agent perception, such as occlusions, by facilitating data exchange among multiple agents. However, most current works consider a homogeneous scenario where all agents use identity sensors and perception models. In reality, heterogeneous agent types may continually emerge and inevitably face a domain gap when collaborating with existing agents. In this paper, we introduce a new open heterogeneous problem: how to accommodate continually emerging new heterogeneous agent types into collaborative perception, while ensuring high perception performance and low integration cost? To address this problem, we propose HEterogeneous ALliance (HEAL), a novel extensible collaborative perception framework. HEAL first establishes a unified feature space with initial agents via a novel multi-scale foreground-aware Pyramid Fusion network. When heterogeneous new agents emerge with previously unseen modalities or models, we align them to the established unified space with an innovative backward alignment. This step only involves individual training on the new agent type, thus presenting extremely low training costs and high extensibility. To enrich agents' data heterogeneity, we bring OPV2V-H, a new large-scale dataset with more diverse sensor types. Extensive experiments on OPV2V-H and DAIR-V2X datasets show that HEAL surpasses SOTA methods in performance while reducing the training parameters by 91.5\% when integrating 3 new agent types. We further implement a comprehensive codebase at: https://github.com/yifanlu0227/HEAL

Large Language Models (LLMs), with their remarkable task-handling capabilities and innovative outputs, have catalyzed significant advancements across a spectrum of fields. However, their proficiency within specialized domains such as biomolecular studies remains limited. To address this challenge, we introduce Mol-Instructions, a comprehensive instruction dataset designed for the biomolecular domain. Mol-Instructions encompasses three key components: molecule-oriented instructions, protein-oriented instructions, and biomolecular text instructions. Each component aims to improve the understanding and prediction capabilities of LLMs concerning biomolecular features and behaviors. Through extensive instruction tuning experiments on LLMs, we demonstrate the effectiveness of Mol-Instructions in enhancing large models' performance in the intricate realm of biomolecular studies, thus fostering progress in the biomolecular research community. Mol-Instructions is publicly available for ongoing research and will undergo regular updates to enhance its applicability (https://github.com/zjunlp/Mol-Instructions).

Multi-cellular robot design aims to create robots comprised of numerous cells that can be efficiently controlled to perform diverse tasks. Previous research has demonstrated the ability to generate robots for various tasks, but these approaches often optimize robots directly in the vast design space, resulting in robots with complicated morphologies that are hard to control. In response, this paper presents a novel coarse-to-fine method for designing multi-cellular robots. Initially, this strategy seeks optimal coarse-grained robots and progressively refines them. To mitigate the challenge of determining the precise refinement juncture during the coarse-to-fine transition, we introduce the Hyperbolic Embeddings for Robot Design (HERD) framework. HERD unifies robots of various granularity within a shared hyperbolic space and leverages a refined Cross-Entropy Method for optimization. This framework enables our method to autonomously identify areas of exploration in hyperbolic space and concentrate on regions demonstrating promise. Finally, the extensive empirical studies on various challenging tasks sourced from EvoGym show our approach's superior efficiency and generalization capability.

We consider using deep neural networks to solve time-dependent partial differential equations (PDEs), where multi-scale processing is crucial for modeling complex, time-evolving dynamics. While the U-Net architecture with skip connections is commonly used by prior studies to enable multi-scale processing, our analysis shows that the need for features to evolve across layers results in temporally misaligned features in skip connections, which limits the model’s performance. To address this limitation, we propose SineNet, consisting of multiple sequentially connected U-shaped network blocks, referred to as waves. In SineNet, high-resolution features are evolved progressively through multiple stages, thereby reducing the amount of misalignment within each stage. We furthermore analyze the role of skip connections in enabling both parallel and sequential processing of multi-scale information. Our method is rigorously tested on multiple PDE datasets, including the Navier-Stokes equations and shallow water equations, showcasing the advantages of our proposed approach over conventional U-Nets with a comparable parameter budget. We further demonstrate that increasing the number of waves in SineNet while maintaining the same number of parameters leads to a monotonically improved performance. The results highlight the effectiveness of SineNet and the potential of our approach in advancing the state-of-the-art in neural PDE solver design. Our code is available as part of AIRS (https://github.com/divelab/AIRS).

Recently, Transformer-based and MLP-based models have emerged rapidly andwon dominance in time series analysis. In contrast, convolution is losing steamin time series tasks nowadays for inferior performance. This paper studies theopen question of how to better use convolution in time series analysis and makesefforts to bring convolution back to the arena of time series analysis. To this end,we modernize the traditional TCN and conduct time series related modificationsto make it more suitable for time series tasks. As the outcome, we proposeModernTCN and successfully solve this open question through a seldom-exploredway in time series community. As a pure convolution structure, ModernTCN stillachieves the consistent state-of-the-art performance on five mainstream time seriesanalysis tasks while maintaining the efficiency advantage of convolution-basedmodels, therefore providing a better balance of efficiency and performance thanstate-of-the-art Transformer-based and MLP-based models. Our study furtherreveals that, compared with previous convolution-based models, our ModernTCNhas much larger effective receptive fields (ERFs), therefore can better unleash thepotential of convolution in time series analysis. Code is available at this repository:https://github.com/luodhhh/ModernTCN.

Protein-Protein Interactions (PPIs) are fundamental in various biological processes and play a key role in life activities. The growing demand and cost of experimental PPI assays require computational methods for efficient PPI prediction. While existing methods rely heavily on protein sequence for PPI prediction, it is the protein structure that is the key to determine the interactions. To take both protein modalities into account, we define the microenvironment of an amino acid residue by its sequence and structural contexts, which describe the surrounding chemical properties and geometric features. In addition, microenvironments defined in previous work are largely based on experimentally assayed physicochemical properties, for which the "vocabulary" is usually extremely small. This makes it difficult to cover the diversity and complexity of microenvironments. In this paper, we propose Microenvironment-Aware Protein Embedding for PPI prediction (MPAE-PPI), which encodes microenvironments into chemically meaningful discrete codes via a sufficiently large microenvironment "vocabulary" (i.e., codebook). Moreover, we propose a novel pre-training strategy, namely Masked Codebook Modeling (MCM), to capture the dependencies between different microenvironments by randomly masking the codebook and reconstructing the input. With the learned microenvironment codebook, we can reuse it as an off-the-shelf tool to efficiently and effectively encode proteins of different sizes and functions for large-scale PPI prediction. Extensive experiments show that MAPE-PPI can scale to PPI prediction with millions of PPIs with superior trade-offs between effectiveness and computational efficiency than the state-of-the-art competitors.

Large language models (LLMs) have pushed the limits of natural language understanding and exhibited excellent problem-solving ability. Despite the great success, most existing open-source LLMs (\eg, LLaMA-2) are still far away from satisfactory for solving mathematical problems due to the complex reasoning procedures. To bridge this gap, we propose \emph{MetaMath}, a finetuned language model that specializes in mathematical reasoning. Specifically, we start by bootstrapping mathematical questions by rewriting the question from multiple perspectives, which results in a new dataset called MetaMathQA. Then we finetune the LLaMA-2 models on MetaMathQA. Experimental results on two popular benchmarks (\ie, GSM8K and MATH) for mathematical reasoning demonstrate that MetaMath outperforms a suite of open-source LLMs by a significant margin. Our MetaMath-7B model achieves $66.5\%$ on GSM8K and $19.8\%$ on MATH, exceeding the state-of-the-art models of the same size by $11.5\%$ and $8.7\%$. Particularly, MetaMath-70B achieves an accuracy of $82.3\%$ on GSM8K, slightly better than GPT-3.5-Turbo. We release the MetaMathQA dataset, the MetaMath models with different model sizes and the training code for public use.

Transformer-based Large Language Models (LLMs) are pioneering advances in many natural language processing tasks, however, their exceptional capabilities are restricted within the preset context window of Transformer. Position Embedding (PE) scaling methods, while effective in extending the context window to a specific length, demonstrate either notable limitations in their extrapolation abilities or sacrificing partial performance within the context window. Length extrapolation methods, although theoretically capable of extending the context window beyond the training sequence length, often underperform in practical long-context applications. To address these challenges, we propose Continuous Length EXtrapolation (CLEX) for LLMs. We generalise the PE scaling approaches to model the continuous dynamics by ordinary differential equations over the length scaling factor, thereby overcoming the constraints of current PE scaling methods designed for specific lengths. Moreover, by extending the dynamics to desired context lengths beyond the training sequence length, CLEX facilitates the length extrapolation with impressive performance in practical tasks. We demonstrate that CLEX can be seamlessly incorporated into LLMs equipped with Rotary Position Embedding, such as LLaMA and GPT-NeoX, with negligible impact on training and inference latency. Experimental results reveal that CLEX can effectively extend the context window to over 4× or almost 8× training length, with no deterioration in performance. Furthermore, when evaluated on the practical LongBench benchmark, our model trained on a 4k length exhibits competitive performance against state-of-the-art open-source models trained on context lengths up to 32k. Our code is available at https://github.com/DAMO-NLP-SG/CLEX.

A central objective in neuroscience is to understand how the brain orchestrates movement. Recent advances in automated tracking technologies have made it possible to document behavior with unprecedented temporal resolution and scale, generating rich datasets which can be exploited to gain insights into the neural control of movement. One common approach is to identify stereotypical motor primitives using cluster analysis. However, this categorical description can limit our ability to model the effect of more continuous control schemes. Here we take a control theoretic approach to behavioral modeling and argue that movements can be understood as the output of a controlled dynamical system. Previously, models of movement dynamics, trained solely on behavioral data, have been effective in reproducing observed features of neural activity. These models addressed specific scenarios where animals were trained to execute particular movements upon receiving a prompt. In this study, we extend this approach to analyze the full natural locomotor repertoire of an animal: the zebrafish larva. Our findings demonstrate that this repertoire can be effectively generated through a sparse control signal driving a latent Recurrent Neural Network (RNN). Our model's learned latent space preserves key kinematic features and disentangles different categories of movements. To further interpret the latent dynamics, we used balanced model reduction to yield a simplified model. Collectively, our methods serve as a case study for interpretable system identification, and offer a novel framework for understanding neural activity in relation to movement.

Large-scale graph machine learning is challenging as the complexity of learning models scales with the graph size. Subsampling the graph is a viable alternative, but sampling on graphs is nontrivial as graphs are non-Euclidean. Existing graph sampling techniques require not only computing the spectra of large matrices but also repeating these computations when the graph changes, e.g., grows. In this paper, we introduce a signal sampling theory for a type of graph limit---the graphon. We prove a Poincaré inequality for graphon signals and show that complements of node subsets satisfying this inequality are unique sampling sets for Paley-Wiener spaces of graphon signals. Exploiting connections with spectral clustering and Gaussian elimination, we prove that such sampling sets are consistent in the sense that unique sampling sets on a convergent graph sequence converge to unique sampling sets on the graphon. We then propose a related graphon signal sampling algorithm for large graphs, and demonstrate its good empirical performance on graph machine learning tasks.

This paper introduces a framework for formally establishing a connection between a portion of an algebraic language and a Graph Neural Network (GNN). The framework leverages Context-Free Grammars (CFG) to organize algebraic operations into generative rules that can be translated into a GNN layer model. As CFGs derived directly from a language tend to contain redundancies in their rules and variables, we present a grammar reduction scheme. By applying this strategy, we define a CFG that conforms to the third-order Weisfeiler-Lehman (3-WL) test using the matricial language MATLANG. From this 3-WL CFG, we derive a GNN model, named G$^2$N$^2$, which is provably 3-WL compliant. Through various experiments, we demonstrate the superior efficiency of G$^2$N$^2$ compared to other 3-WL GNNs across numerous downstream tasks. Specifically, one experiment highlights the benefits of grammar reduction within our framework.

Graph Neural Networks (GNNs) have seen significant achievements in semi-supervised node classification. Yet, their efficacy often hinges on access to high-quality labeled node samples, which may not always be available in real-world scenarios. While active learning is commonly employed across various domains to pinpoint and label high-quality samples based on data features, graph data present unique challenges due to their intrinsic structures that render nodes non-i.i.d. Furthermore, biases emerge from the positioning of labeled nodes; for instance, nodes closer to the labeled counterparts often yield better performance. To better leverage graph structure and mitigate structural bias in active learning, we present a unified optimization framework (SCARCE), which is also easily incorporated with node features. Extensive experiments demonstrate that the proposed method not only improves the GNNs performance but also paves the way for more fair results.

Triggered by limitations of graph-based deep learning methods in terms of computational expressivity and model flexibility, recent years have seen a surge of interest in computational models that operate on higher-order topological domains such as hypergraphs and simplicial complexes. While the increased expressivity of these models can indeed lead to a better classification performance and a more faithful representation of the underlying system, the computational cost of these higher-order models can increase dramatically. To this end, we here explore a simplicial complex neural network learning architecture based on random walks and fast 1D convolutions (SCRaWl), in which we can adjust the increase in computational cost by varying the length and number of random walks considered while accounting for higher-order relationships. Importantly, due to the random walk-based design, the expressivity of the proposed architecture is provably incomparable to that of existing message-passing simplicial neural networks. We empirically evaluate SCRaWl on real-world datasets and show that it outperforms other simplicial neural networks.

Generative molecular design has moved from proof-of-concept to real-world applicability, as marked by the surge in very recent papers reporting experimental validation. Key challenges in explainability and sample efficiency present opportunities to enhance generative design to directly optimize expensive high-fidelity oracles and provide actionable insights to domain experts. Here, we propose Beam Enumeration to exhaustively enumerate the most probable sub-sequences from language-based molecular generative models and show that molecular substructures can be extracted. When coupled with reinforcement learning, extracted substructures become meaningful, providing a source of explainability and improving sample efficiency through self-conditioned generation. Beam Enumeration is generally applicable to any language-based molecular generative model and notably further improves the performance of the recently reported Augmented Memory algorithm, which achieved the new state-of-the-art on the Practical Molecular Optimization benchmark for sample efficiency. The combined algorithm generates more high reward molecules and faster, given a fixed oracle budget. Beam Enumeration shows that improvements to explainability and sample efficiency for molecular design can be made synergistic.

Given a node-attributed graph, and a graph task (link prediction or node classification), can we tell if a graph neural network (GNN) will perform well? More specifically, do the graph structure and the node features carry enough usable information for the task? Our goals are(1) to develop a fast tool to measure how much information is in the graph structure and in the node features, and(2) to exploit the information to solve the task, if there is enough.We propose NetInfoF, a framework including NetInfoFProbe and NetInfoFAct, for the measurement and the exploitation of network usable information (NUI), respectively. Given a graph data, NetInfoFProbe measures NUI without any model training, and NetInfoFAct solves link prediction and node classification, while two modules share the same backbone.In summary, NetInfoF has following notable advantages:(a) General, handling both link prediction and node classification;(b) Principled, with theoretical guarantee and closed-form solution;(c) Effective, thanks to the proposed adjustment to node similarity;(d) Scalable, scaling linearly with the input size.In our carefully designed synthetic datasets, NetInfoF correctly identifies the ground truth of NUI and is the only method being robust to all graph scenarios. Applied on real-world datasets, NetInfoF wins in 11 out of 12 times on link prediction compared to general GNN baselines.

We propose a new self-explainable Graph Neural Network (GNN) model: GraphChef. GraphChef integrates decision trees into the GNN message passing framework. Given a dataset, GraphChef returns a set of rules (a recipe) that explains each class in the dataset unlike existing GNNs and explanation methods that reason on individual graphs. Thanks to the decision trees, GraphChef recipes are human understandable. We also present a new pruning method to produce small and easy to digest trees. Experiments demonstrate that GraphChef reaches comparable accuracy to not self-explainable GNNs and produced decision trees are indeed small. We further validate the correctness of the discovered recipes on datasets where explanation ground truth is available: Reddit-Binary, MUTAG, BA-2Motifs, BA-Shapes, Tree-Cycle, and Tree-Grid.

Recent studies have shown competitive performance in protein inverse folding, while most of them disregard the importance of predictive confidence, fail to cover the vast protein space, and do not incorporate common protein knowledge. Given the great success of pretrained models on diverse protein-related tasks and the fact that recovery is highly correlated with confidence, we wonder whether this knowledge can push the limits of protein design further. As a solution, we propose a knowledge-aware module that refines low-quality residues. We also introduce a memory-retrieval mechanism to save more than 50\% of the training time. We extensively evaluate our proposed method on the CATH, TS50, TS500, and PDB datasets and our results show that our KW-Design method outperforms the previous PiFold method by approximately 9\% on the CATH dataset. KW-Design is the first method that achieves 60+\% recovery on all these benchmarks. We also provide additional analysis to demonstrate the effectiveness of our proposed method. The code is publicly available via \href{https://github.com/A4Bio/ProteinInvBench}{GitHub}.

Image interpolation based on diffusion models is promising in creating fresh and interesting images. Advanced interpolation methods mainly focus on spherical linear interpolation, where images are encoded into the noise space and then interpolated for denoising to images. However, existing methods face challenges in effectively interpolating natural images (not generated by diffusion models), thereby restricting their practical applicability. Our experimental investigations reveal that these challenges stem from the invalidity of the encoding noise, which may no longer obey the expected noise distribution, e.g., a normal distribution. To address these challenges, we propose a novel approach to correct noise for image interpolation, NoiseDiffusion. Specifically, NoiseDiffusion approaches the invalid noise to the expected distribution by introducing subtle Gaussian noise and introduces a constraint to suppress noise with extreme values. In this context, promoting noise validity contributes to mitigating image artifacts, but the constraint and introduced exogenous noise typically lead to a reduction in signal-to-noise ratio, i.e., loss of original image information. Hence, NoiseDiffusion performs interpolation within the noisy image space and injects raw images into these noisy counterparts to address the challenge of information loss. Consequently, NoiseDiffusion enables us to interpolate natural images without causing artifacts or information loss, thus achieving the best interpolation results.

Graph-level anomaly detection has gained significant attention as it finds applications in various domains, such as cancer diagnosis and enzyme prediction. However, existing methods fail to capture the spectral properties of graph anomalies, resulting in unexplainable framework design and unsatisfying performance. In this paper, we re-investigate the spectral differences between anomalous and normal graphs. Our main observation shows a significant disparity in the accumulated spectral energy between these two classes. Moreover, we prove that the accumulated spectral energy of the graph signal can be represented by its Rayleigh Quotient, indicating that the Rayleigh Quotient is a driving factor behind the anomalous properties of graphs. Motivated by this, we propose Rayleigh Quotient Graph Neural Network (RQGNN), the first spectral GNN that explores the inherent spectral features of anomalous graphs for graph-level anomaly detection. Specifically, we introduce a novel framework with two components: the Rayleigh Quotient learning component (RQL) and Chebyshev Wavelet GNN with RQ-pooling (CWGNN-RQ). RQL explicitly captures the Rayleigh Quotient of graphs and CWGNN-RQ implicitly explores the spectral space of graphs. Extensive experiments on 10 real-world datasets show that RQGNN outperforms the best rival by 6.74% in Macro-F1 score and 1.44% in AUC, demonstrating the effectiveness of our framework. Our code is available at https://github.com/xydong127/RQGNN.

Social reward as a form of community recognition provides a strong source ofmotivation for users of online platforms to actively engage and contribute withcontent to accumulate peers approval. In the realm of text-conditioned imagesynthesis, the recent surge in progress has ushered in a collaborative era whereusers and AI systems coalesce to refine visual creations. This co-creative pro-cess in the landscape of online social networks empowers users to craft originalvisual artworks seeking for community validation. Nevertheless, assessing thesemodels in the context of collective community preference introduces distinct chal-lenges. Existing evaluation methods predominantly center on limited size userstudies guided by image quality and alignment with prompts. This work pio-neers a paradigm shift, unveiling Social Reward - an innovative reward modelingframework that leverages implicit feedback from social network users engagedin creative editing of generated images. We embark on an extensive journey ofdataset curation and refinement, drawing from Picsart: an online visual creationand editing platform, yielding a first million-user-scale dataset of implicit humanpreferences for user-generated visual art named Picsart Image-Social. Our anal-ysis exposes the shortcomings of current metrics in modeling community creativepreference of text-to-image models’ outputs, compelling us to introduce a novelpredictive model explicitly tailored to address these limitations. Rigorous quan-titative experiments and user study show that our Social Reward model alignsbetter with social popularity than existing metrics. Furthermore, we utilize So-cial Reward to fine-tune text-to-image models, yielding images that are more fa-vored by not only Social Reward, but also other established metrics. These find-ings highlight the relevance and effectiveness of Social Reward in assessing com-munity appreciation for AI-generated artworks, establishing a closer alignmentwith users’ creative goals: creating popular visual art. Codes can be accessed athttps://github.com/Picsart-AI-Research/Social-Reward

Vanilla image completion approaches exhibit sensitivity to large missing regions, attributed to the limited availability of reference information for plausible generation. To mitigate this, existing methods incorporate the extra cue as guidance for image completion. Despite improvements, these approaches are often restricted to employing a single modality (e.g., segmentation or sketch maps), which lacks scalability in leveraging multi-modality for more plausible completion.In this paper, we propose a novel, simple yet effective method for Multi-modal Guided Image Completion, dubbed MaGIC, which not only supports a wide range of single modality as the guidance (e.g., text, canny edge, sketch, segmentation, depth, and pose), but also adapts to arbitrarily customized combinations of these modalities (i.e., arbitrary multi-modality) for image completion.For building MaGIC, we first introduce a modality-specific conditional U-Net (MCU-Net) that injects single-modal signal into a U-Net denoiser for single-modal guided image completion. Then, we devise a consistent modality blending (CMB) method to leverage modality signals encoded in multiple learned MCU-Nets through gradient guidance in latent space. Our CMB is training-free, thereby avoiding the cumbersome joint re-training of different modalities, which is the secret of MaGIC to achieve exceptional flexibility in accommodating new modalities for completion.Experiments show the superiority of MaGIC over state-of-the-art methods and its generalization to various completion tasks.

Controllable layout generation refers to the process of creating a plausible visual arrangement of elements within a graphic design (e.g., document and web designs) with constraints representing design intentions. Although recent diffusion-based models have achieved state-of-the-art FID scores, they tend to exhibit more pronounced misalignment compared to earlier transformer-based models. In this work, we propose the LAyout Constraint diffusion modEl (LACE), a unified model to handle a broad range of layout generation tasks, such as arranging elements with specified attributes and refining or completing a coarse layout design. The model is based on continuous diffusion models. Compared with existing methods that use discrete diffusion models, continuous state-space design can enable the incorporation of continuous aesthetic constraint functions in training more naturally. For conditional generation, we propose injecting layout conditions in the form of masks or gradient guidance during inference. Empirical results show that LACE produces high-quality layouts and outperforms existing state-of-the-art baselines. We will release our source code and model checkpoints.

Diffusion model based Text-to-Image has achieved impressive achievements recently. Although current technology for synthesizing images is highly advanced and capable of generating images with high fidelity, it is still possible to give the show away when focusing on the text area in the generated image, as synthesized text often contains blurred, unreadable, or incorrect characters, making visual text generation one of the most challenging issues in this field. To address this issue, we introduce AnyText, a diffusion-based multilingual visual text generation and editing model, that focuses on rendering accurate and coherent text in the image. AnyText comprises a diffusion pipeline with two primary elements: an auxiliary latent module and a text embedding module. The former uses inputs like text glyph, position, and masked image to generate latent features for text generation or editing. The latter employs an OCR model for encoding stroke data as embeddings, which blend with image caption embeddings from the tokenizer to generate texts that seamlessly integrate with the background. We employed text-control diffusion loss and text perceptual loss for training to further enhance writing accuracy. AnyText can write characters in multiple languages, to the best of our knowledge, this is the first work to address multilingual visual text generation. It is worth mentioning that AnyText can be plugged into existing diffusion models from the community for rendering or editing text accurately. After conducting extensive evaluation experiments, our method has outperformed all other approaches by a significant margin. Additionally, we contribute the first large-scale multilingual text images dataset, AnyWord-3M, containing 3 million image-text pairs with OCR annotations in multiple languages. Based on AnyWord-3M dataset, we propose AnyText-benchmark for the evaluation of visual text generation accuracy and quality. Our project will be open-sourced soon to improve and promote the development of text generation technology.

Recent work has demonstrated the significant potential of denoising diffusion modelsfor generating human motion, including text-to-motion capabilities.However, these methods are restricted by the paucity of annotated motion data,a focus on single-person motions, and a lack of detailed control.In this paper, we introduce three forms of composition based on diffusion priors:sequential, parallel, and model composition.Using sequential composition, we tackle the challenge of long sequencegeneration. We introduce DoubleTake, an inference-time method with whichwe generate long animations consisting of sequences of prompted intervalsand their transitions, using a prior trained only for short clips.Using parallel composition, we show promising steps toward two-person generation.Beginning with two fixed priors as well as a few two-person training examples, we learn a slimcommunication block, ComMDM, to coordinate interaction between the two resulting motions.Lastly, using model composition, we first train individual priorsto complete motions that realize a prescribed motion for a given joint.We then introduce DiffusionBlending, an interpolation mechanism to effectively blend severalsuch models to enable flexible and efficient fine-grained joint and trajectory-level control and editing.We evaluate the composition methods using an off-the-shelf motion diffusion model,and further compare the results to dedicated models trained for these specific tasks.

Graph Neural Networks (GNNs) have been widely adopted for drug discovery with molecular graphs. Nevertheless, current GNNs mainly excel in leveraging short-range interactions (SRI) but struggle to capture long-range interactions (LRI), both of which are crucial for determining molecular properties. To tackle this issue, we propose a method to abstract the collective information of atomic groups into a few $\textit{Neural Atoms}$ by implicitly projecting the atoms of a molecular.Specifically, we explicitly exchange the information among neural atoms and project them back to the atoms’ representations as an enhancement. With this mechanism, neural atoms establish the communication channels among distant nodes, effectively reducing the interaction scope of arbitrary node pairs into a single hop. To provide an inspection of our method from a physical perspective, we reveal its connection to the traditional LRI calculation method, Ewald Summation. The Neural Atom can enhance GNNs to capture LRI by approximating the potential LRI of the molecular.We conduct extensive experiments on four long-range graph benchmarks, covering graph-level and link-level tasks on molecular graphs. We achieve up to a 27.32% and 38.27% improvement in the 2D and 3D scenarios, respectively.Empirically, our method can be equipped with an arbitrary GNN to help capture LRI. Code and datasets are publicly available in https://github.com/tmlr-group/NeuralAtom.

Text-to-image generative models can produce photo-realistic images for an extremely broad range of concepts, and their usage has proliferated widely among the general public. On the flip side, these models have numerous drawbacks, including their potential to generate images featuring sexually explicit content, mirror artistic styles without permission, or even hallucinate (or deepfake) the likenesses of celebrities. Consequently, various methods have been proposed in order to "erase" sensitive concepts from text-to-image models. In this work, we examine seven recently proposed concept erasure methods, and show that targeted concepts are not fully excised from any of these methods. Specifically, we leverage the existence of special learned word embeddings that can retrieve "erased" concepts from the sanitized models with no alterations to their weights. Our results highlight the brittleness of post hoc concept erasure methods, and call into question their use in the algorithmic toolkit for AI safety.

Diffusion models have impressive image generation capability, but low-quality generations still exist, and their identification remains challenging due to the lack of a proper sample-wise metric. To address this, we propose BayesDiff, a pixel-wise uncertainty estimator for generations from diffusion models based on Bayesian inference. In particular, we derive a novel uncertainty iteration principle to characterize the uncertainty dynamics in diffusion, and leverage the last-layer Laplace approximation for efficient Bayesian inference. The estimated pixel-wise uncertainty can not only be aggregated into a sample-wise metric to filter out low-fidelity images but also aids in augmenting successful generations and rectifying artifacts in failed generations in text-to-image tasks. Extensive experiments demonstrate the efficacy of BayesDiff and its promise for practical applications.

We propose a new approach for generative modeling based on training a neural network to be idempotent. An idempotent operator is one that can be applied sequentially without changing the result beyond the initial application, namely $f(f(z))=f(z)$. The proposed model $f$ is trained to map a source distribution (e.g, Gaussian noise) to a target distribution (e.g. realistic images) using the following objectives: (1) Instances from the target distribution should map to themselves, namely $f(x)=x$. We define the target manifold as the set of all instances that $f$ maps to themselves.(2) Instances that form the source distribution should map onto the defined target manifold. This is achieved by optimizing the idempotence term, $f(f(z))=f(z)$ which encourages the range of $f(z)$ to be on the target manifold. Under ideal assumptions such a process provably converges to the target distribution. This strategy results in a model capable of generating an output in one step, maintaining a consistent latent space, while also allowing sequential applications for refinement. Additionally, we find that by processing inputs from both target and source distributions, the model adeptly projects corrupted or modified data back to the target manifold. This work is a first step towards a ``global projector'' that enables projecting any input into a target data distribution.

Recent advances in 3D content creation mostly leverage optimization-based 3D generation via score distillation sampling (SDS).Though promising results have been exhibited, these methods often suffer from slow per-sample optimization, limiting their practical usage. In this paper, we propose DreamGaussian, a novel 3D content generation framework that achieves both efficiency and quality simultaneously. Our key insight is to design a generative 3D Gaussian Splatting model with companioned mesh extraction and texture refinement in UV space.In contrast to the occupancy pruning used in Neural Radiance Fields, we demonstrate that the progressive densification of 3D Gaussians converges significantly faster for 3D generative tasks.To further enhance the texture quality and facilitate downstream applications, we introduce an efficient algorithm to convert 3D Gaussians into textured meshes and apply a fine-tuning stage to refine the details.Extensive experiments demonstrate the superior efficiency and competitive generation quality of our proposed approach.Notably, DreamGaussian produces high-quality textured meshes in just 2 minutes from a single-view image, achieving approximately 10 times acceleration compared to existing methods.

Vector drawings are innately interactive as they preserve creational cues. Despitethis desirable property they remain relatively under explored due to the difficultiesin modeling complex vector drawings. This is in part due to the primarily sequential and auto-regressive nature of existing approaches failing to scale beyond simpledrawings. In this paper, we define generative models over highly complex vectordrawings by first representing them as “stroke-clouds” – sets of arbitrary cardinality comprised of semantically meaningful strokes. The dimensionality of thestrokes is a design choice that allows the model to adapt to a range of complexities.We learn to encode these set of strokes into compact latent codes by a probabilisticreconstruction procedure backed by De-Finetti’s Theorem of Exchangability. Theparametric generative model is then defined over the latent vectors of the encodedstroke-clouds. The resulting “Latent stroke-cloud generator (LSG)” thus capturesthe distribution of complex vector drawings on an implicit set space. We demonstrate the efficacy of our model on complex drawings (a newly created Animeline-art dataset) through a rangeof generative tasks.

Given a set of $K$ probability densities, we consider the multimarginal generative modeling problem of learning a joint distribution that recovers these densities as marginals. The structure of this joint distribution should identify multi-way correspondences among the prescribed marginals. We formalize an approach to this task within a generalization of the stochastic interpolant framework, leading to efficient learning algorithms built upon dynamical transport of measure. Our generative models are defined by velocity and score fields that can be characterized as the minimizers of simple quadratic objectives, and they are defined on a simplex that generalizes the time variable in the usual dynamical transport framework. The resulting transport on the simplex is influenced by all marginals, and we show that multi-way correspondences can be extracted. The identification of such correspondences has applications to style transfer, algorithmic fairness, and data decorruption. In addition, the multimarginal perspective enables an efficient algorithm for optimizing the dynamical transport cost in the ordinary two-marginal setting. We demonstrate these capacities with several numerical examples.

We present a unified probabilistic formulation for diffusion-based image editing, where a latent variable is edited in a task-specific manner and generally deviates from the corresponding marginal distribution induced by the original stochastic or ordinary differential equation (SDE or ODE). Instead, it defines a corresponding SDE or ODE for editing. In the formulation, we prove that the Kullback-Leibler divergence between the marginal distributions of the two SDEs gradually decreases while that for the ODEs remains as the time approaches zero, which shows the promise of SDE in image editing. Inspired by it, we provide the SDE counterparts for widely used ODE baselines in various tasks including inpainting and image-to-image translation, where SDE shows a consistent and substantial improvement. Moreover, we propose \emph{SDE-Drag} -- a simple yet effective method built upon the SDE formulation for point-based content dragging. We build a challenging benchmark (termed \emph{DragBench}) with open-set natural, art, and AI-generated images for evaluation. A user study on DragBench indicates that SDE-Drag significantly outperforms our ODE baseline, existing diffusion-based methods, and the renowned DragGAN. Our results demonstrate the superiority and versatility of SDE in image editing and push the boundary of diffusion-based editing methods. See the project page \url{https://ml-gsai.github.io/SDE-Drag-demo/} for the code and DragBench dataset.

Idempotence is the stability of image codec to re-compression. At the first glance, it is unrelated to perceptual image compression. However, we find that theoretically: 1) Conditional generative model-based perceptual codec satisfies idempotence; 2) Unconditional generative model with idempotence constraint is equivalent to conditional generative codec. Based on this newfound equivalence, we propose a new paradigm of perceptual image codec by inverting unconditional generative model with idempotence constraints. Our codec is theoretically equivalent to conditional generative codec, and it does not require training new models. Instead, it only requires a pre-trained mean-square-error codec and unconditional generative model. Empirically, we show that our proposed approach outperforms state-of-the-art methods such as HiFiC and ILLM, in terms of Fréchet Inception Distance (FID). The source code is provided in https://github.com/tongdaxu/Idempotence-and-Perceptual-Image-Compression.

Image outpainting aims to generate the content of an input sub-image beyond its original boundaries. It is an important task in content generation yet remains an open problem for generative models. This paper pushes the technical frontier of image outpainting in two directions that have not been resolved in literature: 1) outpainting with arbitrary and continuous multiples (without restriction), and 2) outpainting in a single step (even for large expansion multiples). Moreover, we develop a method that does not depend on a pre-trained backbone network, which is in contrast commonly required by the previous SOTA outpainting methods. The arbitrary multiple outpainting is achieved by utilizing randomly cropped views from the same image during training to capture arbitrary relative positional information. Specifically, by feeding one view and positional embeddings as queries, we can reconstruct another view. At inference, we generate images with arbitrary expansion multiples by inputting an anchor image and its corresponding positional embeddings. The one-step outpainting ability here is particularly noteworthy in contrast to previous methods that need to be performed for $N$ times to obtain a final multiple which is $N$ times of its basic and fixed multiple. We evaluate the proposed approach (called PQDiff as we adopt a diffusion-based generator as our embodiment, under our proposed \textbf{P}ositional \textbf{Q}uery scheme) on public benchmarks, demonstrating its superior performance over state-of-the-art approaches. Specifically, PQDiff achieves state-of-the-art FID scores on the Scenery (\textbf{21.512}), Building Facades (\textbf{25.310}), and WikiArts (\textbf{36.212}) datasets. Furthermore, under the 2.25x, 5x and 11.7x outpainting settings, PQDiff only takes \textbf{40.6\%}, \textbf{20.3\%} and \textbf{10.2\%} of the time of the benchmark state-of-the-art (SOTA) method.

In recent years, advances in the large-scale pretraining of language and text-to-image models have revolutionized the field of machine learning. Yet, integrating these two modalities into a single, robust model capable of generating seamless multimodal outputs remains a significant challenge. To address this gap, we present the Joint Autoregressive Mixture (JAM) framework, a modular approach that systematically fuses existing text and image generation models. We also introduce a specialized, data-efficient instruction-tuning strategy, tailored for mixed-modal generation tasks. Our final instruct-tuned model demonstrates unparalleled performance in generating high-quality multimodal outputs and represents the first model explicitly designed for this purpose.

Molecular conformation optimization is crucial to computer-aided drug discovery and materials design.Traditional energy minimization techniques rely on iterative optimization methods that use molecular forces calculated by a physical simulator (oracle) as anti-gradients.However, this is a computationally expensive approach that requires many interactions with a physical simulator.One way to accelerate this procedure is to replace the physical simulator with a neural network.Despite recent progress in neural networks for molecular conformation energy prediction, such models are prone to errors due to distribution shift, leading to inaccurate energy minimization.We find that the quality of energy minimization with neural networks can be improved by providing optimization trajectories as additional training data.Still, obtaining complete optimization trajectories demands a lot of additional computations.To reduce the required additional data, we present the Gradual Optimization Learning Framework (GOLF) for energy minimization with neural networks.The framework consists of an efficient data-collecting scheme and an external optimizer.The external optimizer utilizes gradients from the energy prediction model to generate optimization trajectories, and the data-collecting scheme selects additional training data to be processed by the physical simulator. Our results demonstrate that the neural network trained with GOLF performs \textit{on par} with the oracle on a benchmark of diverse drug-like molecules using significantly less additional data.

Realistic simulation is critical for applications ranging from robotics to animation. Traditional analytic simulators sometimes struggle to capture sufficiently realistic simulation which can lead to problems including the well known "sim-to-real" gap in robotics. Learned simulators have emerged as an alternative for better capturing real-world physical dynamics, but require access to privileged ground truth physics information such as precise object geometry or particle tracks. Here we propose a method for learning simulators directly from observations. Visual Particle Dynamics (VPD) jointly learns a latent particle-based representation of 3D scenes, a neural simulator of the latent particle dynamics, and a renderer that can produce images of the scene from arbitrary views. VPD learns end to end from posed RGB-D videos and does not require access to privileged information. Unlike existing 2D video prediction models, we show that VPD's 3D structure enables scene editing and long-term predictions. These results pave the way for downstream applications ranging from video editing to robotic planning.

Diffusion or flow-based models are powerful generative paradigms that are notoriously hard to sample as samples are defined as solutions to high-dimensional Ordinary or Stochastic Differential Equations (ODEs/SDEs) which require a large Number of Function Evaluations (NFE) to approximate well. Existing methods to alleviate the costly sampling process include model distillation and designing dedicated ODE solvers. However, distillation is costly to train and sometimes can deteriorate quality, while dedicated solvers still require relatively large NFE to produce high quality samples. In this paper we introduce ``Bespoke solvers'', a novel framework for constructing custom ODE solvers tailored to the ODE of a given pre-trained flow model. Our approach optimizes an order consistent and parameter-efficient solver (e.g., with 80 learnable parameters), is trained for roughly 1\% of the GPU time required for training the pre-trained model, and significantly improves approximation and generation quality compared to dedicated solvers. For example, a Bespoke solver for a CIFAR10 model produces samples with Fréchet Inception Distance (FID) of 2.73 with 10 NFE, and gets to 1\% of the Ground Truth (GT) FID (2.59) for this model with only 20 NFE. On the more challenging ImageNet-64$\times$64, Bespoke samples at 2.2 FID with 10 NFE, and gets within 2\% of GT FID (1.71) with 20 NFE.

The Vision Transformer (ViT) has emerged as a powerful architecture for various computer vision tasks. Nonetheless, this comes with substantially heavier computational costs than Convolutional Neural Networks (CNNs). The attention mechanism in ViTs, which integrates information from different image patches to the class token ([CLS]), renders traditional structured pruning methods used in CNNs unsuitable. To overcome this issue, we propose SynergisTic pAtch pRuning (STAR) that unifies intra-layer and inter-layer patch importance scoring. Specifically, our approach combines a) online evaluation of intra-layer importance for the [CLS] and b) offline evaluation of the inter-layer importance of each patch. The two importance scores are fused by minimizing a weighted average of Kullback-Leibler (KL) Divergences and patches are successively pruned at each layer by maintaining only the top-k most important ones. Unlike prior art that relies on manual selection of the pruning rates at each layer, we propose an automated method for selecting them based on offline-derived metrics. We also propose a variant that uses these rates as weighted percentile parameters (for the layer-wise normalized scores), thus leading to an alternate adaptive rate selection technique that is input-based. Extensive experiments demonstrate the significant acceleration of the inference with minimal performance degradation. For instance, on the ImageNet dataset, the pruned DeiT-Small reaches a throughput of 4,256 images/s, which is over 66\% higher than the much smaller (unpruned) DeiT-Tiny model, while having a substantially higher accuracy (+6.8\% Top-1 and +3.1\% Top-5).

The information bottleneck principle provides an information-theoretic method for learning a good representation as a trade-off between conciseness and predictive ability, which can reduce information redundancy, eliminate irrelevant and superfluous features, and thus enhance the in-domain generalizability. However, in low-resource or out-of-domain scenarios where the assumption of i.i.d does not necessarily hold true, superfluous (or redundant) relevant features may be supplemental to the mainline features of the model, and be beneficial in making prediction for test dataset with distribution shift. Therefore, instead of squeezing the input information by information bottleneck, we propose to keep as much relevant information as possible in use for making predictions. A three-stage supervised learning framework is designed and implemented to jointly learn the mainline and supplemental features, relieving supplemental features from the suppression of mainline features. Extensive experiments have shown that the learned representations of our method have good in-domain and out-of-domain generalization abilities, especially in low-resource cases.

In this paper, we explore the application of mean field theory, a technique from statistical physics, to deep metric learning and address the high training complexity commonly associated with conventional metric learning loss functions.By adapting mean field theory for deep metric learning, we develop an approach to design classification-based loss functions from pair-based ones, which can be considered complementary to the proxy-based approach.Applying the mean field theory to two pair-based loss functions, we derive two new loss functions, MeanFieldContrastive and MeanFieldClassWiseMultiSimilarity losses, with reduced training complexity.We extensively evaluate these derived loss functions on three image-retrieval datasets and demonstrate that our loss functions outperform baseline methods in two out of the three datasets.

Integrating and processing information from various sources or modalities are critical for obtaining a comprehensive and accurate perception of the real world in autonomous systems and cyber-physical systems. Drawing inspiration from neuroscience, we develop the Information-Theoretic Hierarchical Perception (ITHP) model, which utilizes the concept of information bottleneck. Different from most traditional fusion models that incorporate all modalities identically in neural networks, our model designates a prime modality and regards the remaining modalities as detectors in the information pathway, serving to distill the flow of information. Our proposed perception model focuses on constructing an effective and compact information flow by achieving a balance between the minimization of mutual information between the latent state and the input modal state, and the maximization of mutual information between the latent states and the remaining modal states. This approach leads to compact latent state representations that retain relevant information while minimizing redundancy, thereby substantially enhancing the performance of multimodal representation learning. Experimental evaluations on the MUStARD, CMU-MOSI, and CMU-MOSEI datasets demonstrate that our model consistently distills crucial information in multimodal learning scenarios, outperforming state-of-the-art benchmarks. Remarkably, on the CMU-MOSI dataset, ITHP surpasses human-level performance in the multimodal sentiment binary classification task across all evaluation metrics (i.e., Binary Accuracy, F1 Score, Mean Absolute Error, and Pearson Correlation).

Methods for carefully selecting or generating a small set of training data to learn from, i.e., data pruning, coreset selection, and dataset distillation, have been shown to be effective in reducing the ever-increasing cost of training neural networks. Behind this success are rigorously designed, yet expensive, strategies for identifying the most informative training examples out of large datasets. In this work, we revisit these methods to understand if the additional computational costs associated with such strategies are justified from the perspective of time-to-accuracy, which has become a critical efficiency measure of deep neural network training over large datasets. Surprisingly, we find that many of the recently proposed methods underperform what we call Repeated Sampling of Random Subsets (RSRS or RS2), a powerful yet overlooked extension of the standard random baseline that learns from repeatedly sampled data throughout training instead of a fixed random subset. We test RS2 against thirty-two state-of-the-art data pruning and distillation methods across four datasets including ImageNet. Our results demonstrate that RS2 significantly reduces time-to-accuracy, particularly in practical regimes where accuracy, but not runtime, is similar to that of training on full dataset. For example, when training ResNet-18 on ImageNet, with 10\% of the dataset each epoch RS2 reaches an accuracy of 66\% versus 69\% when training with the full dataset. The best competing method achieves only 55\% while training 1.6$\times$ slower than RS2. Beyond the above meta-study, we discuss the theoretical properties of RS2 such as its convergence rate and generalization error. Our primary goal is to highlight that future works that aim to minimize total training cost by using subset selection, need to consider 1) the total computation cost (including preparing the subset) and 2) should aim to outperform a simple extension of random sampling (i.e., RS2).

Large language models are powerful systems that excel at many tasks, ranging from translation to mathematical reasoning. Yet, at the same time, these models often show unhuman-like characteristics. In the present paper, we address this gap and ask whether large language models can be turned into cognitive models. We find that -- after finetuning them on data from psychological experiments -- these models offer accurate representations of human behavior, even outperforming traditional cognitive models in two decision-making domains. In addition, we show that their representations contain the information necessary to model behavior on the level of individual subjects. Finally, we demonstrate that finetuning on multiple tasks enables large language models to predict human behavior in a previously unseen task. Taken together, these results suggest that large, pre-trained models can be adapted to become models of human cognition, which opens up future research directions toward building more general cognitive models.

State-of-the-art systems neuroscience experiments yield large-scale multimodal data, and these data sets require new tools for analysis. Inspired by the success of large pretrained models in vision and language domains, we reframe the analysis of large-scale, cellular-resolution neuronal spiking data into an auto-regressive spatiotemporal generation problem. Neuroformer is a multimodal, multitask generative pre-trained transformer (GPT) model that is specifically designed to handle the intricacies of data in systems neuroscience. It scales linearly with feature size, can process an arbitrary number of modalities, and is adaptable to downstream tasks, such as predicting behavior. We first trained Neuroformer on simulated datasets, and found that it both accurately predicted simulated neuronal circuit activity, and also intrinsically inferred the underlying neural circuit connectivity, including direction. When pretrained to decode neural responses, the model predicted the behavior of a mouse with only few-shot fine-tuning, suggesting that the model begins learning how to do so directly from the neural representations themselves, without any explicit supervision. We used an ablation study to show that joint training on neuronal responses and behavior boosted performance, highlighting the model's ability to associate behavioral and neural representations in an unsupervised manner. These findings show that Neuroformer can analyze neural datasets and their emergent properties, informing the development of models and hypotheses associated with the brain.

In human neuroimaging, multi-modal imaging techniques are frequently combined to enhance our comprehension of whole-brain dynamics and improve diagnosis in clinical practice. Modalities like electroencephalography and functional magnetic resonance imaging provide distinct views to the brain dynamics due to diametral spatiotemporal sensitivities and underlying neurophysiological coupling mechanisms. These distinct views pose a considerable challenge to learning a shared representation space, especially when dealing with covariance-based data characterized by their geometric structure. To capitalize on the geometric structure, we introduce a measure called geodesic correlation which expands traditional correlation consistency to covariance-based data on the symmetric positive definite (SPD) manifold. This measure is derived from classical canonical correlation analysis and serves to evaluate the consistency of latent representations obtained from paired views. For multi-view, self-supervised learning where one or both latent views are SPD we propose an innovative geometric deep learning framework termed DeepGeoCCA. Its primary objective is to enhance the geodesic correlation of unlabeled, paired data, thereby generating novel representations while retaining the geometric structures. In simulations and experiments with multi-view and multi-modal human neuroimaging data, we find that DeepGeoCCA learns latent representations with high geodesic correlation for unseen data while retaining relevant information for downstream tasks.

The study of rigid protein-protein docking plays an essential role in a variety of tasks such as drug design and protein engineering. Recently, several learning-based methods have been proposed for the task, exhibiting much faster docking speed than those computational methods. In this paper, we propose a novel learning-based method called ElliDock, which predicts an elliptic paraboloid to represent the protein-protein docking interface. To be specific, our model estimates elliptic paraboloid interfaces for the two input proteins respectively, and obtains the roto-translation transformation for docking by making two interfaces coincide. By its design, ElliDock is independently equivariant with respect to arbitrary rotations/translations of the proteins, which is an indispensable property to ensure the generalization of the docking process. Experimental evaluations show that ElliDock achieves the fastest inference time among all compared methods, and outperforms state-of-the-art learning-based methods, like DiffDock-PP and Alphafold-Multimer, for particularly antibody-antigen docking.

Intelligent tutoring systems optimize the selection and timing of learning materials to enhance understanding and long-term retention. This requires estimates of both the learner's progress ("knowledge tracing"; KT), and the prerequisite structure of the learning domain ("knowledge mapping"). While recent deep learning models achieve high KT accuracy, they do so at the expense of the interpretability of psychologically-inspired models. In this work, we present a solution to this trade-off. PSI-KT is a hierarchical generative approach that explicitly models how both individual cognitive traits and the prerequisite structure of knowledge influence learning dynamics, thus achieving interpretability by design. Moreover, by using scalable Bayesian inference, PSI-KT targets the real-world need for efficient personalization even with a growing body of learners and interaction data. Evaluated on three datasets from online learning platforms, PSI-KT achieves superior multi-step predictive accuracy and scalable inference in continual-learning settings, all while providing interpretable representations of learner-specific traits and the prerequisite structure of knowledge that causally supports learning. In sum, predictive, scalable and interpretable knowledge tracing with solid knowledge mapping lays a key foundation for effective personalized learning to make education accessible to a broad, global audience.

Transductive node prediction has been a popular learning setting in Graph Neural Networks (GNNs). It has been widely observed that the shortage of information flow between the distant nodes and intra-batch nodes (for large-scale graphs) often hurt the generalization of GNNs which overwhelmingly adopt message-passing. Yet there is still no formal and direct theoretical results to quantitatively capture the underlying mechanism, despite the recent advance in both theoretical and empirical studies for GNN's generalization ability. In this paper, the $L$-hop interplay (i.e., message passing capability with training nodes) for a $L$-layer GNN is successfully incorporated in our derived PAC-Bayesian bound for GNNs in the semi-supervised transductive setting. In other words, we quantitatively show how the interplay between training and testing sets influence the generalization ability which also partly explains the effectiveness of some existing empirical methods for enhancing generalization. Based on this result, we further design a plug-and-play ***Graph** **G**lobal **W**orkspace* module for GNNs (InterpGNN-GW) to enhance the interplay, utilizing the key-value attention mechanism to summarize crucial nodes' embeddings into memory and broadcast the memory to all nodes, in contrast to the pairwise attention scheme in previous graph transformers. Extensive experiments on both small-scale and large-scale graph datasets validate the effectiveness of our theory and approaches.

Expert-level prompts, carefully engineered by human experts who have a deep understanding of both large language models (LLMs) and domain knowledge, are the future of prompting and pivotal to harnessing the full power of advanced LLMs. Discovering such prompts with an automated process remains a sought-after and unresolved challenge. Existing prompt optimization techniques, though automated through iterative sampling, often fall short in injecting domain knowledge and exploring the vast prompt space for complex expert-level prompts efficiently. To address this pressing need and achieve expert-level prompting, we introduce PromptAgent, which autonomously discovers prompts equivalent in quality to those handcrafted by experts. At its core, PromptAgent views prompt optimization as a strategic planning problem and employs a principled planning algorithm (rooted in Monte Carlo Tree Search) to strategically explore the vast expert-level prompt space. PromptAgent interacts with the LLM in a human-like trial-and-error manner during the planning, and injects expert-level knowledge by reflecting on model errors and generating insightful error feedback. This novel formulation allows it to iteratively evaluate intermediate prompts, refine them based on errors, simulate future rewards, and search for high-reward paths leading to expert-level prompts. We apply PromptAgent to 12 tasks spanning three practical domains: BIG-Bench Hard (BBH), domain-expert, and general NLU tasks, showing PromptAgent consistently outperforms strong prompting and prompt optimization baselines by great margins. Our qualitative analysis further emphasizes PromptAgent's capability to distill insightful errors into expert-level prompts.

Table-based reasoning with large language models (LLMs) is a promising direction to tackle many table understanding tasks, such as table-based question answering and fact verification. Compared with generic reasoning, table-based reasoning requires the extraction of underlying semantics from both free-form questions and semi-structured tabular data. Chain-of-Thought and its similar approaches incorporate the reasoning chain in the form of textual context, but it is still an open question how to effectively leverage tabular data in the reasoning chain. We propose the Chain-of-Table framework, where tabular data is explicitly used in the reasoning chain as a proxy for intermediate thoughts. Specifically, we guide LLMs using in-context learning to iteratively generate operations and update the table to represent a tabular reasoning chain. LLMs can therefore dynamically plan the next operation based on the results of the previous ones. This continuous evolution of the table forms a chain, showing the reasoning process for a given tabular problem. The chain carries structured information of the intermediate results, enabling more accurate and reliable predictions. Chain-of-Table achieves new state-of-the-art performance on WikiTQ, FeTaQA, and TabFact benchmarks across multiple LLM choices.

With the rapid advancement of IT operations, managing and analyzing large data volumes efficiently for practical applications has become increasingly critical. Natural Language Processing (NLP) techniques have demonstrated remarkable capabilities in various tasks, including named entity recognition, machine translation, and dialogue systems. Recently, Large Language Models (LLMs) have achieved significant improvements across various domain-specific areas. However, there is a noticeable gap in the development of specialized Large Language Models (LLMs) tailored for IT operations. In this paper, we introduce the OWL, a large language model trained on our constructed Owl-Instruct with a wide range of IT-related information. Specifically, limited by the maximum input length, we propose the \textbf{H}omogeneous \textbf{M}arkov \textbf{C}ontext \textbf{E}xtension method (HMCE). The mixture-of-adapter strategy is leveraged to improve the parameter-efficient tuning across different domains or tasks.Further, we evaluate the performance of OWL on the Owl-Bench established by us and open IT-related benchmarks. OWL demonstrates superior performance results on IT tasks, which outperforms existing models by significant margins. Moreover, we hope that the findings of our work will provide more insights to revolutionize the techniques of IT operations with specialized LLMs.

Recent advancements in conversational large language models (LLMs), such as ChatGPT, have demonstrated remarkable promise in various domains, including drug discovery. However, existing works mainly focus on investigating the capabilities of conversational LLMs on chemical reactions and retrosynthesis. While drug editing, a critical task in the drug discovery pipeline, remains largely unexplored. To bridge this gap, we propose ChatDrug, a framework to facilitate the systematic investigation of drug editing using LLMs. ChatDrug jointly leverages a prompt module, a retrieval and domain feedback module, and a conversation module to streamline effective drug editing. We empirically show that ChatDrug reaches the best performance on all 39 drug editing tasks, encompassing small molecules, peptides, and proteins. We further demonstrate, through 10 case studies, that ChatDrug can successfully identify the key substructures for manipulation, generating diverse and valid suggestions for drug editing. Promisingly, we also show that ChatDrug can offer insightful explanations from a domain-specific perspective, enhancing interpretability and enabling informed decision-making.

The fast growing capabilities of large-scale deep learning models, such as Bert, GPT and ViT, are revolutionizing the landscape of NLP, CV and many other domains. Training such models, however, poses an unprecedented demand for computing power, which incurs exponentially increasing energy cost and carbon dioxide emissions. It is thus critical to develop efficient training solutions to reduce the training costs. Motivated by a set of key observations of inter- and intra-layer similarities among feature maps and attentions that can be identified from typical training processes, we propose a multi-level framework for training acceleration. Specifically, the framework is based on three basic operators, Coalescing, De-coalescing and Interpolation, which can be orchestrated to build a multi-level training framework. The framework consists of a V-cycle training process, which progressively down- and up-scales the model size and projects the parameters between adjacent levels of models via coalescing and de-coalescing. The key idea is that a smaller model that can be trained for fast convergence and the trained parameters provides high-qualities intermediate solutions for the next level larger network. The interpolation operator is designed to break the symmetry of neurons incurred by de-coalescing for better convergence performance. Our experiments on transformer-based language models (e.g. Bert, GPT) as well as a vision model (e.g. DeiT) prove that the proposed framework reduces the computational cost by about 20% on training BERT/GPT-Base models and up to 51.6% on training the BERT-Large model while preserving the performance.

Studying how people interact with large language models (LLMs) in real-world scenarios is increasingly important due to their widespread use in various applications. In this paper, we introduce LMSYS-Chat-1M, a large-scale dataset containing one million real-world conversations with 25 state-of-the-art LLMs. This dataset is collected from 210K unique IP addresses in the wild on our Vicuna demo and Chatbot Arena website. We offer an overview of the dataset's content, including its curation process, basic statistics, and topic distribution, highlighting its diversity, originality, and scale. We demonstrate its versatility through four use cases: developing content moderation models that perform similarly to GPT-4, building a safety benchmark, training instruction-following models that perform similarly to Vicuna, and creating challenging benchmark questions. We believe that this dataset will serve as a valuable resource for understanding and advancing LLM capabilities. The dataset is publicly available at https://huggingface.co/datasets/lmsys/lmsys-chat-1m.

The Mixture of Experts (MoE) is a widely known neural architecture where an ensemble of specialized sub-models optimizes overall performance with a constant computational cost. However, conventional MoEs pose challenges at scale due to the need to store all experts in memory. In this paper, we push MoE to the limit. We propose extremely parameter-efficient MoE by uniquely combining MoE architecture with lightweight experts.Our MoE architecture outperforms standard parameter-efficient fine-tuning (PEFT) methods and is on par with full fine-tuning by only updating the lightweight experts -- less than 1\% of an 11B parameters model. Furthermore, our method generalizes to unseen tasks as it does not depend on any prior task knowledge. Our research underscores the versatility of the mixture of experts architecture, showcasing its ability to deliver robust performance even when subjected to rigorous parameter constraints.

Parameter-efficient fine-tuning (PEFT) has emerged as a new paradigm for cost-efficient fine-tuning of large language models (LLMs), with low-rank adaptation (LoRA) being a widely adopted choice. However, fine-tuned LLMs often become overconfident especially when fine-tuned on small datasets. Bayesian methods, with their inherent ability to estimate uncertainty, serve as potent tools to mitigate overconfidence and enhance calibration. In this work, we introduce Laplace-LoRA, a straightforward yet effective Bayesian method, which applies the Laplace approximation to the LoRA parameters and, considerably boosts the calibration of fine-tuned LLMs.

Text-to-3D with diffusion models has achieved remarkable progress in recent years. However, existing methods either rely on score distillation-based optimization which suffer from slow inference, low diversity and Janus problems, or are feed-forward methods that generate low-quality results due to the scarcity of 3D training data. In this paper, we propose Instant3D, a novel method that generates high-quality and diverse 3D assets from text prompts in a feed-forward manner. We adopt a two-stage paradigm, which first generates a sparse set of four structured and consistent views from text in one shot with a fine-tuned 2D text-to-image diffusion model, and then directly regresses the NeRF from the generated images with a novel transformer-based sparse-view reconstructor. Through extensive experiments, we demonstrate that our method can generate diverse 3D assets of high visual quality within 20 seconds, which is two orders of magnitude faster than previous optimization-based methods that can take 1 to 10 hours. Our project webpage is: https://jiahao.ai/instant3d/.

In-context learning (ICL) is one of the surprising and useful features of large language models and subject of intense research. Recently, stylized meta-learning-like ICL setups have been devised that train transformers on sequences of input-output pairs $(x, f(x))$. The function $f$ comes from a function class and generalization is checked by evaluating on sequences generated from unseen functions from the same class. One of the main discoveries in this line of research has been that for several function classes, such as linear regression, transformers successfully generalize to new functions in the class. However, the inductive biases of these models resulting in this behavior are not clearly understood. A model with unlimited training data and compute is a Bayesian predictor: it learns the pretraining distribution.In this paper we empirically examine how far this Bayesian perspective can help us understand ICL. To this end, we generalize the previous meta-ICL setup to hierarchical meta-ICL setup which involve unions of multiple task families. We instantiate this setup on a diverse range of linear and nonlinear function families and find that transformers can do ICL in this setting as well. Where Bayesian inference is tractable, we find evidence that high-capacity transformers mimic the Bayesian predictor. The Bayesian perspective provides insights into the inductive bias of ICL and how transformers perform a particular task when they are trained on multiple tasks. We also find that transformers can learn to generalize to new function classes that were not seen during pretraining. This involves deviation from the Bayesian predictor. We examine these deviations in more depth offering new insights and hypotheses.

The reasoning capabilities of LLM (Large Language Model) are widely acknowledged in recent research, inspiring studies on tool learning and autonomous agents. LLM serves as the ``brain'' of the agent, orchestrating multiple tools for collaborative multi-step task solving. Unlike methods invoking tools like calculators or weather APIs for straightforward tasks, multi-modal agents excel by integrating diverse AI models for complex challenges. However, current multi-modal agents neglect the significance of model selection: they primarily focus on the planning and execution phases, and will only invoke predefined task-specific models for each subtask, making the execution fragile. Meanwhile, other traditional model selection methods are either incompatible with or suboptimal for the multi-modal agent scenarios, due to ignorance of dependencies among subtasks arising by multi-step reasoning.To this end, we identify the key challenges therein and propose the $\textbf{\textit{M}}^\textbf{\textit{3}}$ framework as a plug-in with negligible runtime overhead at test-time. This framework improves model selection and bolsters the robustness of multi-modal agents in multi-step reasoning. In the absence of suitable benchmarks, we create MS-GQA, a new dataset specifically designed to investigate the model selection challenge in multi-modal agents. Our experiments reveal that our framework enables dynamic model selection, considering both user inputs and subtask dependencies, thereby robustifying the overall reasoning process. Our code and benchmark: https://github.com/LINs-lab/M3.

Prompting and in-context learning (ICL) have become efficient learning paradigms for large language models (LLMs). However, LLMs suffer from prompt brittleness and various bias factors in the prompt, including but not limited to the formatting, the choice verbalizers, and the ICL examples. To address this problem that results in unexpected performance degradation, calibration methods have been developed to mitigate the effects of these biases while recovering LLM performance. In this work, we first conduct a systematic analysis of the existing calibration methods, where we both provide a unified view and reveal the failure cases. Inspired by these analyses, we propose Batch Calibration (BC), a simple yet intuitive method that controls the contextual bias from the batched input, unifies various prior approaches and effectively addresses the aforementioned issues. BC is zero-shot, inference-only, and incurs negligible additional costs. In the few-shot setup, we further extend BC to allow it to learn the contextual bias from labeled data. We validate the effectiveness of BC with PaLM 2-(S, M, L) and CLIP models and demonstrate state-of-the-art performance over previous calibration baselines across more than 10 natural language understanding and image classification tasks.

Daily internet communication relies heavily on tree-structured graphs, embodied by popular data formats such as XML and JSON. However, many recent generative (probabilistic) models utilize neural networks to learn a probability distribution over undirected cyclic graphs. This assumption of a generic graph structure brings various computational challenges, and, more importantly, the presence of non-linearities in neural networks does not permit tractable probabilistic inference. We address these problems by proposing sum-product-set networks, an extension of probabilistic circuits from unstructured tensor data to tree-structured graph data. To this end, we use random finite sets to reflect a variable number of nodes and edges in the graph and to allow for exact and efficient inference. We demonstrate that our tractable model performs comparably to various intractable models based on neural networks.

By design, large language models (LLMs) are static general-purpose models, expensive to retrain or update frequently. As they are increasingly adopted for knowledge-intensive tasks, it becomes evident that these design choices lead to failures to generate factual, relevant, and up-to-date knowledge. To this end, we propose Knowledge Card, a modular framework to plug in new factual and relevant knowledge into general-purpose LLMs. We first introduce knowledge cards---specialized language models trained on corpora from specific domains and sources. Knowledge cards serve as parametric repositories that are selected at inference time to generate background knowledge for the base LLM. We then propose three content selectors to dynamically select and retain information in documents generated by knowledge cards, specifically controlling for relevance, brevity, and factuality of outputs. Finally, we propose two complementary integration approaches to augment the base LLM with the (relevant, factual) knowledge curated from the specialized LMs. Through extensive experiments, we demonstrate that Knowledge Card achieves state-of-the-art performance on six benchmark datasets. Ultimately, Knowledge Card framework enables dynamic synthesis and updates of knowledge from diverse domains. Its modularity will ensure that relevant knowledge can be continuously updated through the collective efforts of the research community.

The advent of instruction-tuned language models that convincingly mimic human writing poses a significant risk of abuse. For example, such models could be used for plagiarism, disinformation, spam, or phishing. However, such abuse may be counteracted with the ability to detect whether a piece of text was composed by a language model rather than a human. Some previous approaches to this problem have relied on supervised methods trained on corpora of confirmed human and machine-written documents. Unfortunately, model under-specification poses an unavoidable challenge for such detectors, making them brittle in the face of data shifts, such as the release of further language models producing still more fluent text than the models used to train the detectors. Other previous approaches require access to the models that generated the text to be detected at inference or detection time, which is often impractical. In light of these challenge, we pursue a fundamentally different approach not relying on samples from language models of concern at training time. Instead, we propose to leverage representations of writing style estimated from human-authored text. Indeed, we find that features effective at distinguishing among human authors are also effective at distinguishing human from machine authors, including state of the art large language models like Llama 2, ChatGPT, and GPT-4. Furthermore, given handfuls of examples composed by each of several specific language models of interest, our approach affords the ability to predict which model specifically generated a given document.

Given the success of Large Language Models (LLMs), there has been considerable interest in studying the properties of model activations. The literature overwhelmingly agrees that LLM representations are dominated by a few ``outlier dimensions'' with exceedingly high variance and magnitude. Several studies in Natural Language Processing (NLP) have sought to mitigate the impact of such outlier dimensions and force LLMs to be isotropic (i.e., have uniform variance across all dimensions in embedding space). Isotropy is thought to be a desirable property for LLMs that improves model performance and more closely aligns textual representations with human intuition. However, many claims regarding isotropy in NLP have been based on the average cosine similarity of embeddings, which has recently been shown to be a flawed measure of isotropy. In this paper, we propose I-STAR: IsoScore$^{\star}$-based STable Anisotropic Regularization, a novel regularization method that can be used to increase or decrease levels of isotropy in embedding space during training. I-STAR uses IsoScore$^{\star}$, the first accurate measure of isotropy that is both differentiable and stable on mini-batch computations. In contrast to several previous works, we find that \textit{decreasing} isotropy in contextualized embeddings improves performance on the majority of tasks and models considered in this paper.

We introduce GAIA, a benchmark for General AI Assistants that, if solved, would represent a milestone in AI research. GAIA proposes real-world questions that require a set of fundamental abilities such as reasoning, multi-modality handling, web browsing, and generally tool-use proficiency. GAIA questions are conceptually simple for humans yet challenging for most advanced AIs: we show that human respondents obtain 92% vs. 15% for GPT-4 equipped with plugins. This notable performance disparity contrasts with the recent trend of LLMs outperforming humans on tasks requiring professional skills in e.g. law or chemistry. GAIA’s philosophy departs from the current trend in AI benchmarks suggesting to target tasks that are ever more difficult for humans. We posit that the advent of Artificial General Intelligence (AGI) hinges on a system’s capability to exhibit similar robustness as the average human does on such questions. Using GAIA’s methodology, we devise 466 questions and their answer. We release our questions while retaining answers to 300 of them to power a leader-board accessible at https://huggingface.co/gaia-benchmark.

Large Language Models (LLMs) inherently encode a wealth of knowledge within their parameters through pre-training on extensive corpora. While prior research has delved into operations on these parameters to manipulate the underlying implicit knowledge — encompassing detection, editing, and merging — there remains an ambiguous understanding regarding their transferability across models with varying scales. In this paper, we seek to empirically investigate knowledge transfer from larger to smaller models through a parametric perspective. To achieve this, we employ sensitivity-based techniques to extract and align knowledge-specific parameters between different LLMs. Moreover, the LoRA module is used as the intermediary mechanism for injecting the extracted knowledge into smaller models. Evaluations across four benchmarks validate the efficacy of our proposed method. Our findings highlight the critical factors contributing to the process of parametric knowledge transfer, underscoring the transferability of model parameters across LLMs of different scales. Project website: https://maszhongming.github.io/ParaKnowTransfer.

Natural language to code generation is an important application area of LLMs and has received wide attention from the community. The majority of relevant studies have exclusively concentrated on increasing the quantity and functional correctness of training sets while disregarding other stylistic elements of programs. More recently, data quality has garnered a lot of interest and multiple works have showcased its importance for improving performance. In this work, we investigate data quality for code and find that making the code more structured and readable leads to improved code generation performance of the system. We build a novel data-cleaning pipeline that uses these principles to transform existing programs by 1.) renaming variables, 2.) modularizing and decomposing complex code into smaller helper sub-functions, and 3.) inserting natural-language based planning annotations. We evaluate our approach on two challenging algorithmic code generation benchmarks and find that fine-tuning CodeLLaMa-7B on our transformed programs improves the performance by up to \textbf{30\%} compared to fine-tuning on the original dataset. Additionally, we demonstrate improved performance from using a smaller amount of higher-quality data, finding that a model fine-tuned on the entire original dataset is outperformed by a model trained on one-eighth of our cleaned dataset. Even in comparison to closed-source models, our models outperform the much larger AlphaCode models.

Foundation models, pre-trained on a large amount of data have demonstrated impressive zero-shot capabilities in various downstream tasks. However, in object detection and instance segmentation, two fundamental computer vision tasks heavily reliant on extensive human annotations, foundation models such as SAM and DINO struggle to achieve satisfactory performance. In this study, we reveal that the devil is in the object boundary, $\textit{i.e.}$, these foundation models fail to discern boundaries between individual objects. For the first time, we probe that CLIP, which has never accessed any instance-level annotations, can provide a highly beneficial and strong instance-level boundary prior in the clustering results of its particular intermediate layer. Following this surprising observation, we propose $\textbf{\textit{Zip}}$ which $\textbf{Z}$ips up CL$\textbf{ip}$ and SAM in a novel classification-first-then-discovery pipeline, enabling annotation-free, complex-scene-capable, open-vocabulary object detection and instance segmentation. Our Zip significantly boosts SAM's mask AP on COCO dataset by 12.5\% and establishes state-of-the-art performance in various settings, including training-free, self-training, and label-efficient finetuning. Furthermore, annotation-free Zip even achieves comparable performance to the best-performing open-vocabulary object detecters using base annotations. Code is released at https://github.com/ChengShiest/Zip-Your-CLIP

Large Language Models (LLMs) have greatly advanced code auto-completion systems, with a potential for substantial productivity enhancements for developers. However, current benchmarks mainly focus on single-file tasks, leaving an assessment gap for more complex, real-world, multi-file programming scenarios. To fill this gap, we introduce RepoBench, a new benchmark specifically designed for evaluating repository-level code auto-completion systems. RepoBench consists of three interconnected evaluation tasks: RepoBench-R (Retrieval), RepoBench-C (Code Completion), and RepoBench-P (Pipeline). Each task respectively measures the system's ability to retrieve the most relevant code snippets from other files as cross-file context, predict the next line of code with cross-file and in-file context, and handle complex tasks that require a combination of both retrieval and next-line prediction. RepoBench aims to facilitate a more complete comparison of performance and encouraging continuous improvement in auto-completion systems. RepoBench is actively maintained with the latest code, serving as a live benchmark publicly available at https://github.com/Leolty/repobench.

Recent studies have demonstrated Large Language Models (LLMs) can extend their zero-shot generalization capabilities to multimodal learning through instruction tuning. As more modalities and downstream tasks are introduced, negative conflicts and interference may have a worse impact on performance. While this phenomenon has been overlooked in previous work, we propose a novel and extensible framework, called Octavius, for comprehensive studies and experimentation on multimodal learning with Multimodal Large Language Models (MLLMs). Specifically, to mitigate the interference, we combine the concept of Mixture-of-Experts (MoE) with LoRA and design a multimodal LoRA-MoE decoder for task- and modality-specific learning. To the best of our knowledge, we are one of the pioneering efforts to introduce MoE into MLLMs to address this problem. The experimental results (about 20% improvement) have shown the effectiveness and versatility of our design in various 2D and 3D downstream tasks. Code and corresponding dataset will be availablesoon.

Multiple choice questions (MCQs) serve as a common yet important task format in the evaluation of large language models (LLMs). This work shows that modern LLMs are vulnerable to option position changes in MCQs due to their inherent “selection bias”, namely, they prefer to select specific option IDs as answers (like “Option A”). Through extensive empirical analyses with 20 LLMs on three benchmarks, we pinpoint that this behavioral bias primarily stems from LLMs’ token bias, where the model a priori assigns more probabilistic mass to specific option ID tokens (e.g., A/B/C/D) when predicting answers from the option IDs. To mitigate selection bias, we propose a label-free, inference-time debiasing method, called PriDe, which separates the model’s prior bias for option IDs from the overall prediction distribution. PriDe first estimates the prior by permutating option contents on a small number of test samples, and then applies the estimated prior to debias the remaining samples. We demonstrate that it achieves interpretable and transferable debiasing with high computational efficiency. We hope this work can draw broader research attention to the bias and robustness of modern LLMs.

In recent years, large language models have greatly improved in their ability to perform complex multi-step reasoning. However, even state-of-the-art models still regularly produce logical mistakes. To train more reliable models, we can turn either to outcome supervision, which provides feedback for a final result, or process supervision, which provides feedback for each intermediate reasoning step. Given the importance of training reliable models, and given the high cost of human feedback, it is important to carefully compare the both methods. Recent work has already begun this comparison, but many questions still remain. We conduct our own investigation, finding that process supervision significantly outperforms outcome supervision for training models to solve problems from the challenging MATH dataset. Our process-supervised model solves 78% of problems from a representative subset of the MATH test set. Additionally, we show that active learning significantly improves the efficacy of process supervision. To support related research, we also release PRM800K, the complete dataset of 800,000 step-level human feedback labels used to train our best reward model.

Large language models have shown remarkable aptitude in code generation, but still struggle to perform complex tasks. Self-repair---in which the model debugs and repairs its own code---has recently become a popular way to boost performance in these settings. However, despite its increasing popularity, existing studies of self-repair have been limited in scope; in many settings, its efficacy thus remains poorly understood. In this paper, we analyze Code Llama, GPT-3.5 and GPT-4's ability to perform self-repair on problems taken from HumanEval and APPS. We find that when the cost of carrying out repair is taken into account, performance gains are often modest, vary a lot between subsets of the data, and are sometimes not present at all. We hypothesize that this is because self-repair is bottlenecked by the model's ability to provide feedback on its own code; using a stronger model to artificially boost the quality of the feedback, we observe substantially larger performance gains. Similarly, a small-scale study in which we provide GPT-4 with feedback from human participants suggests that even for the strongest models, self-repair still lags far behind what can be achieved with human-level debugging.

Although large language models (LLMs) are widely deployed, the data used to train them is rarely disclosed. Given the incredible scale of this data, up to trillions of tokens, it is all but certain that it includes potentially problematic text such as copyrighted materials, personally identifiable information, and test data for widely reported reference benchmarks. However, we currently have no way to know which data of these types is included or in what proportions. In this paper, we study the pretraining data detection problem: given a piece of text and black-box access to an LLM without knowing the pretraining data, can we determine if the model was trained on the provided text? To facilitate this study, we introduce a dynamic benchmark WIKIMIA that uses data created before and after model training to support gold truth detection. We also introduce a new detection method MIN-K PROB based on a simple hypothesis: an unseen example is likely to contain a few outlier words with low probabilities under the LLM, while a seen example is less likely to have words with such low probabilities. MIN-K PROB can be applied without any knowledge about the pretrainig corpus or any additional training, departing from previous detection methods that require training a reference model on data that is similar to the pretraining data. Moreover, our experiments demonstrate that MIN-K PROB achieves a 7.4% improvement on WIKIMIA over these previous methods. We apply MIN-K PROB to two real-world scenarios, copyrighted book detection and contaminated downstream example detection, and find that it to be a consistently effective solution.

Vision-language models like CLIP are widely used in zero-shot image classification due to their ability to understand various visual concepts and natural language descriptions. However, how to fully leverage CLIP's unprecedented human-like understanding capabilities to achieve better performance is still an open question. This paper draws inspiration from the human visual perception process: when classifying an object, humans first infer contextual attributes (e.g., background and orientation) which help separate the foreground object from the background, and then classify the object based on this information. Inspired by it, we observe that providing CLIP with contextual attributes improves zero-shot image classification and mitigates reliance on spurious features. We also observe that CLIP itself can reasonably infer the attributes from an image. With these observations, we propose a training-free, two-step zero-shot classification method PerceptionCLIP. Given an image, it first infers contextual attributes (e.g., background) and then performs object classification conditioning on them. Our experiments show that PerceptionCLIP achieves better generalization, group robustness, and interpretability.

Large-scale pre-trained vision foundation models, such as CLIP, have become de facto backbones for various vision tasks. However, due to their black-box nature, understanding the underlying rules behind these models’ predictions and controlling model behaviors have remained open challenges. We present INViTE: a framework for INterpreting Vision Transformer’s latent tokens with Text Explanations. Given a latent token, INViTE retains its semantic information to the final layer using transformer’s local operations and retrieves the closest text for explanation. INViTE enables understanding of model visual reasoning procedure without needing additional model training or data collection. Based on the obtained interpretations, INViTE allows for model editing that controls model reasoning behaviors and improves model robustness against biases and spurious correlations. Our code is available at https://github.com/tonychenxyz/vit-interpret.

Artificial Neural Networks (ANNs) have gained widespread applications across various areas in recent years. The ANN design was initially inspired by principles of biology. The biological neural network's fundamental response process comprises information transmission and aggregation. The information transmission in biological neurons is often achieved by triggering action potentials that propagate through axons. ANNs utilize activation mechanisms to simulate such biological behavior. However, previous studies have only considered static response conditions, while the biological neuron's response conditions are typically dynamic, depending on multiple factors such as neuronal properties and the real-time environment. Therefore, the dynamic response conditions of biological neurons could help improve the static ones of existing activations in ANNs. Additionally, the biological neuron's aggregated response exhibits high specificity for different categories, allowing the nervous system to differentiate and identify objects. Inspired by these biological patterns, we propose a novel Dynamic Neural Response Tuning (DNRT) mechanism, which aligns the response patterns of ANNs with those of biological neurons. DNRT comprises Response-Adaptive Activation (RAA) and Aggregated Response Regularization (ARR), mimicking the biological neuron's information transmission and aggregation behaviors. RAA dynamically adjusts the response condition based on the characteristics and strength of the input signal. ARR is devised to enhance the network's ability to learn category specificity by imposing constraints on the network's response distribution. Extensive experimental studies indicate that the proposed DNRT is highly interpretable, applicable to various mainstream network architectures, and can achieve remarkable performance compared with existing neural response mechanisms in multiple tasks and domains. Code is available at https://github.com/horrible-dong/DNRT.

The Canonical Correlation Analysis (CCA) family of methods is foundational in multiview learning.Regularised linear CCA methods can be seen to generalise Partial Least Squares (PLS) and be unified with a Generalized Eigenvalue Problem (GEP) framework.However, classical algorithms for these linear methods are computationally infeasible for large-scale data.Extensions to Deep CCA show great promise, but current training procedures are slow and complicated.First we propose a novel unconstrained objective that characterizes the top subspace of GEPs.Our core contribution is a family of fast algorithms for stochastic PLS, stochastic CCA, and Deep CCA, simply obtained by applying stochastic gradient descent (SGD) to the corresponding CCA objectives.Our algorithms show far faster convergence and recover higher correlations than the previous state-of-the-art on all standard CCA and Deep CCA benchmarks.These improvements allow us to perform a first-of-its-kind PLS analysis of an extremely large biomedical dataset from the UK Biobank, with over 33,000 individuals and 500,000 features.Finally, we apply our algorithms to match the performance of `CCA-family' Self-Supervised Learning (SSL) methods on CIFAR-10 and CIFAR-100 with minimal hyper-parameter tuning, and also present theory to clarify the links between these methods and classical CCA, laying the groundwork for future insights.