Variational Neural Networks for Observable Thermodynamics (V-NOTS)

Abstract

Much attention has recently been devoted to data-based computing of evolution of physical systems. In such approaches, information about data points from past trajectories in phase space is used to reconstruct the equations of motion and to predict future solutions that have not been observed before. However, in many cases, the available data does not correspond to the variables that define the system's phase space. We focus our attention on the important example of dissipative dynamical systems. In that case, the phase space consists of coordinates, momenta and entropies; however, the momenta and entropies cannot, in general, be observed directly. To address this difficulty, we develop an efficient data-based computing framework based exclusively on observable variables, by constructing a novel approach based on the \emph{thermodynamic Lagrangian}, and constructing neural networks that respect the thermodynamics and guarantees the non-decreasing entropy evolution. We show that our network can provide an efficient description of phase space evolution based on a limited number of data points and a relatively small number of parameters in the system.