A two-scale approach for sampling local free energy minimisers

Abstract When a free energy admits several local minimisers, the associated mean-field particle system exhibits a metastable behavior, undergoing random transitions between these minimisers. However, when the number of particles is large, these transitions are rare events and typically occur at a timescale which is out of reach for simulations. In this work, we introduce a system of particles coupled with a slow macroscopic external variable which approximately follows a Langevin dynamics associated to a coarse-grained free energy. The empirical distribution of the particle system thus samples all local minimisers of the initial free energy, with transition times which are now independent from the number of particles. The construction is inspired by a theoretical tool: the two-scale approach for proving log-Sobolev inequalities for Gibbs measures.

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Publication Details

Journal
Research Square
Published
2026-10-30
DOI
https://doi.org/10.21203/rs.3.rs-11216222/v1
Primary Topic
Stochastic processes and statistical mechanics
Type
preprint

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preprint

A two-scale approach for sampling local free energy minimisers

Pierre Monmarché, Antoine Leclerc
Research Square
Stochastic processes and statistical mechanics
preprint

A two-scale approach for sampling local free energy minimisers

Pierre Monmarché, Antoine Leclerc
preprint en

Abstract

Abstract When a free energy admits several local minimisers, the associated mean-field particle system exhibits a metastable behavior, undergoing random transitions between these minimisers. However, when the number of particles is large, these transitions are rare events and typically occur at a timescale which is out of reach for simulations. In this work, we introduce a system of particles coupled with a slow macroscopic external variable which approximately follows a Langevin dynamics associated to a coarse-grained free energy. The empirical distribution of the particle system thus samples all local minimisers of the initial free energy, with transition times which are now independent from the number of particles. The construction is inspired by a theoretical tool: the two-scale approach for proving log-Sobolev inequalities for Gibbs measures.

Research Square
Mines Saint-Étienne (FR), Laboratoire d’Analyse et de Mathématiques Appliquées (FR), Université Gustave Eiffel (FR), Le LAMA (FR)
Agence Nationale de la Recherche
Stochastic processes and statistical mechanics
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