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2205.00286

Learning Effective SDEs from Brownian Dynamics Simulations of Colloidal Particles

Nikolaos Evangelou, Felix Dietrich, Juan M. Bello-Rivas, Alex Yeh, Rachel Stein, Michael A. Bevan, Ioannis G. Kevrekidis

correctmedium confidence
Category
Not specified
Journal tier
Strong Field
Processed
Sep 28, 2025, 12:56 AM

Audit review

The paper empirically derives and validates an EM-based Gaussian loss for learning parameter-dependent eSDEs in a Diffusion Maps latent space, compares it to Kramers–Moyal (KM) estimation, observes that the neural network is typically more accurate with fewer data, and shows free-energy trends with increasing voltage; all of these appear correct within the stated scope. The model’s solution supplies a rigorous quasi-MLE interpretation of the EM loss, KM consistency and rate sketches, a coupling/BDG–Grönwall trajectory-discrepancy bound, and sufficient conditions for parameter monotonicity and free-energy scaling—results consistent with and extending the paper’s claims. The two accounts align but differ in rigor: the paper is empirical and qualitative; the model adds formal assumptions and theoretical guarantees.

Referee report (LaTeX)

\textbf{Recommendation:} minor revisions

\textbf{Journal Tier:} strong field

\textbf{Justification:}

This work credibly demonstrates an end-to-end pipeline for discovering latent variables and learning parameter-dependent eSDEs from simulations and experiments. The EM-based loss is appropriate, and comparisons to KM and to restricted BD trajectories are convincing. Clarifying theoretical assumptions (latent Markov closure, identifiability, treatment of nonuniform time steps) and adding brief pointers to quasi-likelihood theory would strengthen the manuscript. The contributions are practically significant and likely to influence data-driven coarse-graining workflows in soft-matter and related areas.