Mechanistic Neural Networks for Scientific Machine Learning

This paper presents Mechanistic Neural Networks, a neural network design for machine learning applications in the sciences. It incorporates a new Mechanistic Block in standard architectures to explicitly learn governing differential equations as representations, revealing the underlying dynamics of data and enhancing interpretability and efficiency in data modeling.Central to our approach is a novel fast, parallel and scalable Relaxed Linear Programming Solver (NeuRLP) using a differentiable optimization approach for ODE learning and solving. Mechanistic Neural Networks demonstrate their versatility for scientific machine learning applications on tasks from equation discovery to dynamic systems modeling.