Targeted free energy estimation via learned mappings

Targeted free energy estimation via learned mappings

12 February 2020

Peter Wirnsberger

George Papamakarios

Stuart Abercrombie

Alexander Pritzel

Danilo Jimenez Rezende

Charles Blundell

Papers citing "Targeted free energy estimation via learned mappings"

17 / 17 papers shown

Title
Energy-Based Coarse-Graining in Molecular Dynamics: A Flow-Based Framework Without Data Maximilian Stupp P. S. Koutsourelakis 40 0 0 29 Apr 2025
Accurate and thermodynamically consistent hydrogen equation of state for planetary modeling with flow matching Hao Xie Saburo Howard Guglielmo Mazzola 38 1 0 17 Jan 2025
TRADE: Transfer of Distributions between External Conditions with Normalizing Flows Stefan Wahl Armand Rousselot Felix Dräxler Ullrich Kothe Ullrich Köthe 24 0 0 25 Oct 2024
Solvation Free Energies from Neural Thermodynamic Integration Bálint Máté François Fleuret Tristan Bereau 31 1 0 21 Oct 2024
Neural Thermodynamic Integration: Free Energies from Energy-based Diffusion Models Bálint Máté François Fleuret Tristan Bereau DiffM 38 2 0 04 Jun 2024
Neural Diffeomorphic Non-uniform B-spline Flows S. Hong S. Chun 32 1 0 07 Apr 2023
Detecting and Mitigating Mode-Collapse for Flow-based Sampling of Lattice Field Theories K. Nicoli Christopher J. Anders T. Hartung K. Jansen Pan Kessel Shinichi Nakajima 22 22 0 27 Feb 2023
Rigid Body Flows for Sampling Molecular Crystal Structures Jonas Köhler Michele Invernizzi P. D. Haan Frank Noé AI4CE 32 27 0 26 Jan 2023
Deep Variational Free Energy Approach to Dense Hydrogen H.-j. Xie Ziqun Li Han Wang Linfeng Zhang Lei Wang 32 9 0 13 Sep 2022
Learning Optimal Flows for Non-Equilibrium Importance Sampling Yu Cao Eric Vanden-Eijnden 16 3 0 20 Jun 2022
TO-FLOW: Efficient Continuous Normalizing Flows with Temporal Optimization adjoint with Moving Speed Shian Du Yihong Luo Wei-Neng Chen Jian Xu Delu Zeng 24 6 0 19 Mar 2022
Symmetry-Based Representations for Artificial and Biological General Intelligence I. Higgins S. Racanière Danilo Jimenez Rezende AI4CE 24 44 0 17 Mar 2022
Resampling Base Distributions of Normalizing Flows Vincent Stimper Bernhard Schölkopf José Miguel Hernández-Lobato BDL 22 32 0 29 Oct 2021
NEO: Non Equilibrium Sampling on the Orbit of a Deterministic Transform Achille Thin Yazid Janati Sylvain Le Corff Charles Ollion Arnaud Doucet Alain Durmus Eric Moulines C. Robert 17 7 0 17 Mar 2021
Continuous normalizing flows on manifolds Luca Falorsi BDL AI4CE 16 10 0 14 Mar 2021
Neural Manifold Ordinary Differential Equations Aaron Lou Derek Lim Isay Katsman Leo Huang Qingxuan Jiang Ser-Nam Lim Christopher De Sa BDL AI4CE 15 79 0 18 Jun 2020
A Style-Based Generator Architecture for Generative Adversarial Networks Tero Karras S. Laine Timo Aila 276 10,348 0 12 Dec 2018