Molecular Latent Space Simulators

1 July 2020

Papers citing "Molecular Latent Space Simulators"

8 / 8 papers shown

Title
Doob's Lagrangian: A Sample-Efficient Variational Approach to Transition Path Sampling Yuanqi Du Michael Plainer Rob Brekelmans Chenru Duan Frank Noé Carla P. Gomes Alán Aspuru-Guzik Kirill Neklyudov 123 16 0 10 Oct 2024
Micro-Macro Consistency in Multiscale Modeling: Score-Based Model Assisted Sampling of Fast/Slow Dynamical Systems Ellis R. Crabtree J. M. Bello-Rivas Ioannis G. Kevrekidis 46 3 0 10 Dec 2023
Latent Representation and Simulation of Markov Processes via Time-Lagged Information Bottleneck Marco Federici Patrick Forré Ryota Tomioka Bastiaan S. Veeling 53 6 0 13 Sep 2023
GANs and Closures: Micro-Macro Consistency in Multiscale Modeling Ellis R. Crabtree J. M. Bello-Rivas Andrew L. Ferguson Ioannis G. Kevrekidis AI4CE 49 4 0 23 Aug 2022
Staying the course: Locating equilibria of dynamical systems on Riemannian manifolds defined by point-clouds J. M. Bello-Rivas Anastasia S. Georgiou J. Guckenheimer Ioannis G. Kevrekidis 22 3 0 21 Apr 2022
Simulate Time-integrated Coarse-grained Molecular Dynamics with Multi-Scale Graph Networks Xiang Fu T. Xie Nathan J. Rebello B. Olsen Tommi Jaakkola AI4CE 75 15 0 21 Apr 2022
Path sampling of recurrent neural networks by incorporating known physics Sun-Ting Tsai Eric C. Fields Yijia Xu En-Jui Kuo P. Tiwary AI4CE PINN 51 24 0 01 Mar 2022
Accelerated Simulations of Molecular Systems through Learning of their Effective Dynamics Pantelis R. Vlachas Julija Zavadlav M. Praprotnik Petros Koumoutsakos AI4CE 56 3 0 17 Feb 2021