Generative methods for sampling transition paths in molecular dynamics

DOI10.1051/proc/202373238arXiv2205.02818MaRDI QIDQ6127065

Geneviève Robin, Unnamed Author, Unnamed Author, Gabriel Stoltz, Tony Lelièvre

Publication date: 10 April 2024

Published in: ESAIM: Proceedings and Surveys (Search for Journal in Brave)

Full work available at URL: https://arxiv.org/abs/2205.02818

Mathematics Subject Classification ID

Computer science (68-XX) Statistical mechanics, structure of matter (82-XX)

Cites Work

• Unnamed Item
• Unnamed Item
• Unnamed Item
• Recurrence and invariant measures for degenerate diffusions
• Optimal control of molecular dynamics using Markov state models
• Path sampling with stochastic dynamics: some new algorithms
• Exit probabilities and optimal stochastic control
• \({\mathcal Q}\)-learning
• Introduction to rare event simulation.
• Ergodicity for SDEs and approximations: locally Lipschitz vector fields and degenerate noise.
• Transition Path Theory for Markov Jump Processes
• Adaptive Multilevel Splitting for Rare Event Analysis
• Second-order discretization schemes of stochastic differential systems for the computation of the invariant law
• An Introduction to Variational Autoencoders
• Adaptive multilevel splitting: Historical perspective and recent results
• Partial differential equations and stochastic methods in molecular dynamics
• Adaptive Multilevel Splitting in Molecular Dynamics Simulations