Equivariant Flows: sampling configurations for multi-body systems with symmetric energies

2 October 2019

Frank Noé

Papers citing "Equivariant Flows: sampling configurations for multi-body systems with symmetric energies"

28 / 28 papers shown

Title
JFlow: Model-Independent Spherical Jeans Analysis using Equivariant Continuous Normalizing Flows Sung Hak Lim Kohei Hayashi Shuníchi Horigome Shigeki Matsumoto M. Nojiri 27 0 0 01 May 2025
Accurate and thermodynamically consistent hydrogen equation of state for planetary modeling with flow matching Hao Xie Saburo Howard Guglielmo Mazzola 43 1 0 17 Jan 2025
GeoMFormer: A General Architecture for Geometric Molecular Representation Learning Tianlang Chen Shengjie Luo Di He Shuxin Zheng Tie-Yan Liu Liwei Wang AI4CE 49 5 0 24 Jun 2024
Relaxing Continuous Constraints of Equivariant Graph Neural Networks for Physical Dynamics Learning Zinan Zheng Yang Liu Jia Li Jianhua Yao Yu Rong AI4CE 53 1 0 24 Jun 2024
E(n) Equivariant Topological Neural Networks Claudio Battiloro Ege Karaismailoglu Mauricio Tec George Dasoulas Michelle Audirac Francesca Dominici 57 6 0 24 May 2024
A Survey of Geometric Graph Neural Networks: Data Structures, Models and Applications Jiaqi Han Jiacheng Cen Liming Wu Zongzhao Li Xiangzhe Kong ... Zhewei Wei Deli Zhao Yu Rong Wenbing Huang Wenbing Huang AI4CE 40 22 0 01 Mar 2024
Equivariant Graph Neural Operator for Modeling 3D Dynamics Minkai Xu Jiaqi Han Aaron Lou Jean Kossaifi Arvind Ramanathan Kamyar Azizzadenesheli J. Leskovec Stefano Ermon A. Anandkumar AI4CE 42 17 0 19 Jan 2024
E(n) Equivariant Message Passing Simplicial Networks Floor Eijkelboom Rob D. Hesselink Erik J. Bekkers 22 14 0 11 May 2023
EqMotion: Equivariant Multi-agent Motion Prediction with Invariant Interaction Reasoning Chenxin Xu R. Tan Yuhong Tan Siheng Chen Yu Wang Xinchao Wang Yanfeng Wang 35 97 0 20 Mar 2023
Sample Complexity of Probability Divergences under Group Symmetry Ziyu Chen Markos A. Katsoulakis Luc Rey-Bellet Weixia Zhu 41 10 0 03 Feb 2023
SchNetPack 2.0: A neural network toolbox for atomistic machine learning Kristof T. Schütt Stefaan S. P. Hessmann Niklas W. A. Gebauer Jonas Lederer M. Gastegger 32 59 0 11 Dec 2022
Deep Variational Free Energy Approach to Dense Hydrogen H.-j. Xie Ziqun Li Han Wang Linfeng Zhang Lei Wang 49 9 0 13 Sep 2022
Utility of Equivariant Message Passing in Cortical Mesh Segmentation Dániel Unyi F. Insalata Petar Velickovic Bálint Gyires-Tóth 22 0 0 07 Jun 2022
DiffMD: A Geometric Diffusion Model for Molecular Dynamics Simulations Fang Wu Stan Z. Li DiffM 37 31 0 19 Apr 2022
Equivariant Graph Mechanics Networks with Constraints Wen-bing Huang J. Han Yu Rong Tingyang Xu Gang Hua Junzhou Huang AI4CE 38 79 0 12 Mar 2022
Unsupervised Learning of Group Invariant and Equivariant Representations R. Winter Marco Bertolini Tuan Le Frank Noé Djork-Arné Clevert 36 41 0 15 Feb 2022
SE(3) Equivariant Graph Neural Networks with Complete Local Frames Weitao Du He Zhang Yuanqi Du Qi Meng Wei Chen Jia Zhang Tie-Yan Liu 61 80 0 26 Oct 2021
Geometric and Physical Quantities Improve E(3) Equivariant Message Passing Johannes Brandstetter Rob D. Hesselink Elise van der Pol Erik J. Bekkers Max Welling 44 231 0 06 Oct 2021
Riemannian Convex Potential Maps Samuel N. Cohen Brandon Amos Y. Lipman 25 22 0 18 Jun 2021
Simple GNN Regularisation for 3D Molecular Property Prediction & Beyond Jonathan Godwin Michael Schaarschmidt Alex Gaunt Alvaro Sanchez-Gonzalez Yulia Rubanova Petar Velivcković J. Kirkpatrick Peter W. Battaglia 41 60 0 15 Jun 2021
E(n) Equivariant Normalizing Flows Victor Garcia Satorras Emiel Hoogeboom F. Fuchs Ingmar Posner Max Welling BDL 37 170 0 19 May 2021
E(n) Equivariant Graph Neural Networks Victor Garcia Satorras Emiel Hoogeboom Max Welling 35 981 0 19 Feb 2021
The Convolution Exponential and Generalized Sylvester Flows Emiel Hoogeboom Victor Garcia Satorras Jakub M. Tomczak Max Welling 30 28 0 02 Jun 2020
Discretize-Optimize vs. Optimize-Discretize for Time-Series Regression and Continuous Normalizing Flows Derek Onken Lars Ruthotto BDL 32 52 0 27 May 2020
Stochastic Normalizing Flows Hao Wu Jonas Köhler Frank Noé 57 176 0 16 Feb 2020
Targeted free energy estimation via learned mappings Peter Wirnsberger A. J. Ballard George Papamakarios Stuart Abercrombie S. Racanière Alexander Pritzel Danilo Jimenez Rezende Charles Blundell 27 86 0 12 Feb 2020
How to train your neural ODE: the world of Jacobian and kinetic regularization Chris Finlay J. Jacobsen L. Nurbekyan Adam M. Oberman 11 296 0 07 Feb 2020
Normalizing Flows for Probabilistic Modeling and Inference George Papamakarios Eric T. Nalisnick Danilo Jimenez Rezende S. Mohamed Balaji Lakshminarayanan TPM AI4CE 62 1,635 0 05 Dec 2019