Flexible and Stable Dynamics Discovery with Onsager's Variational Principle

Abstract

Variational principles specify the dynamics of a physical system via the extremization of associated functional data. Onsager's variational principle (OVP), which characterizes dissipation-dominated phenomena such as phase separation, admits an unconditionally energy-stable time discretization through the minimization of a Rayleighan functional combining free energy and dissipative effects. The present work considers the case where one or more parts of this functional are empirically approximated or otherwise uncertain. To address this, a novel variational discretization of OVP is introduced which recovers previous work as a special case, and a learning problem is formulated which identifies uncertain terms in the free energy and dissipation potential from observable data. It is shown that the resulting OVP-based models connect directly to previous work in terms of proximal methods, Sobolev and Wasserstein gradient flows, while remaining provably energy-stable under arbitrarily long rollouts. The approach is illustrated on examples including Allen-Cahn, Fokker-Planck, and Cahn-Hilliard system models, where the effects of bulk free-energy densities, nonlocal potentials, and nonstandard boundary conditions are effectively learned with model classes consisting of polynomials, shallow neural networks, and spectral convolution kernels.