Multitask machine learning of collective variables for enhanced sampling of rare events

7 December 2020

Papers citing "Multitask machine learning of collective variables for enhanced sampling of rare events"

6 / 6 papers shown

Title
Machine Learning of Slow Collective Variables and Enhanced Sampling via Spatial TechniquesChemical Physics Reviews (CPR), 2024 Tuğçe Gökdemir Jakub Rydzewski 160 8 0 31 Dec 2024
Generalized Flow Matching for Transition Dynamics Modeling Haibo Wang Yuxuan Qiu Yanze Wang Rob Brekelmans Yuanqi Du 169 2 0 19 Oct 2024
Learning Collective Variables with Synthetic Data Augmentation through Physics-Inspired Geodesic Interpolation Soojung Yang Juno Nam Johannes C. B. Dietschreit Rafael Gómez-Bombarelli DiffM 88 10 0 02 Feb 2024
Enhanced Sampling with Machine Learning: A Review S. Mehdi Zachary Smith Lukas Herron Ziyue Zou P. Tiwary AI4CE 101 8 0 15 Jun 2023
Differentiable Simulations for Enhanced Sampling of Rare EventsInternational Conference on Machine Learning (ICML), 2023 Martin Sípka Johannes C. B. Dietschreit Lukáš Grajciar Rafael Gómez-Bombarelli 171 13 0 09 Jan 2023
Stochastic Optimal Control for Collective Variable Free Sampling of Molecular Transition PathsNeural Information Processing Systems (NeurIPS), 2022 Lars Holdijk Yuanqi Du F. Hooft P. Jaini B. Ensing Max Welling 142 38 0 27 Jun 2022