Machine learning a time-local fluctuation theorem for nonequilibrium steady states

Author:

Sanderson Stephen1ORCID,Petersen Charlotte F12ORCID,Searles Debra J13ORCID

Affiliation:

1. Australian Institute for Bioengineering and Nanotechnology, The University of Queensland , Brisbane, Queensland, 4072, Australia

2. School of Chemistry, University of Melbourne , Melbourne, Victoria, 3010, Australia

3. School of Chemistry and Molecular Biosciences, The University of Queensland , Brisbane, Queensland, 4072, Australia

Abstract

Abstract Fluctuation theorems (FTs) quantify the thermodynamic reversibility of a system, and for deterministic systems they are defined in terms of the dissipation function. However, in a nonequilibrium steady state of deterministic dynamics, the phase space distribution is unknown, making the dissipation function difficult to evaluate without extra information. As such, steady state FTs for deterministic systems to date have required either that the trajectory segment of interest is relatively long, or that information is available about the entire trajectory surrounding that segment. In this work, it is shown that a simple machine learning model trained to predict whether a given steady state trajectory segment is being played forward or backward in time calculates a function which satisfies an FT and relies solely on information within the segment of interest. The FT is satisfied even for very short trajectory segments where the approximate relation derived from theory breaks down, for systems far from equilibrium, and for various nonequilibrium dynamics. It is further demonstrated that any function which is a well-calibrated predictor of time’s arrow must satisfy an FT, and that a local FT can be derived which depends only on local dissipation and its correlations with the surrounding nonlocal dissipation.

Funder

Queensland Cyber Infrastructure Foundation

Publisher

Oxford University Press (OUP)

Subject

General Physics and Astronomy

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