CONVERGENCE OF METADYNAMICS: DISCUSSION OF THE ADIABATIC HYPOTHESIS

• 成果类型: Article
• 署名作者: Jourdain, Benjamin; Lelievre, Tony; Zitt, Pierre-Andre
• 署名单位: Inria; Institut Polytechnique de Paris; Ecole Nationale des Ponts et Chaussees; Universite Paris-Est-Creteil-Val-de-Marne (UPEC); Universite Gustave-Eiffel; Centre National de la Recherche Scientifique (CNRS); CNRS - National Institute for Mathematical Sciences (INSMI)
• 刊物名称: ANNALS OF APPLIED PROBABILITY
• ISSN/ISSBN: 1050-5164
• DOI: 10.1214/20-AAP1652
• 发表日期: 2021
• 页码: 2441-2477
• 关键词: random-walk; ergodicity

摘要

By drawing a parallel between metadynamics and self interacting models for polymers, we study the longtime convergence of the original metadynamics algorithm in the adiabatic setting, namely when the dynamics along the collective variables decouples from the dynamics along the other degrees of freedom. We also discuss the bias which is introduced when the adiabatic assumption does not hold.