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$\alpha$-divergence Improves the Entropy Production Estimation via Machine Learning

Statistical Mechanics 2024-01-22 v2 Machine Learning Machine Learning

Abstract

Recent years have seen a surge of interest in the algorithmic estimation of stochastic entropy production (EP) from trajectory data via machine learning. A crucial element of such algorithms is the identification of a loss function whose minimization guarantees the accurate EP estimation. In this study, we show that there exists a host of loss functions, namely those implementing a variational representation of the α\alpha-divergence, which can be used for the EP estimation. By fixing α\alpha to a value between 1-1 and 00, the α\alpha-NEEP (Neural Estimator for Entropy Production) exhibits a much more robust performance against strong nonequilibrium driving or slow dynamics, which adversely affects the existing method based on the Kullback-Leibler divergence (α=0\alpha = 0). In particular, the choice of α=0.5\alpha = -0.5 tends to yield the optimal results. To corroborate our findings, we present an exactly solvable simplification of the EP estimation problem, whose loss function landscape and stochastic properties give deeper intuition into the robustness of the α\alpha-NEEP.

Keywords

Cite

@article{arxiv.2303.02901,
  title  = {$\alpha$-divergence Improves the Entropy Production Estimation via Machine Learning},
  author = {Euijoon Kwon and Yongjoo Baek},
  journal= {arXiv preprint arXiv:2303.02901},
  year   = {2024}
}

Comments

11 pages, 9 figures

R2 v1 2026-06-28T09:02:44.446Z