Spatial Attention Kinetic Networks with E(n)-Equivariance

Spatial Attention Kinetic Networks with E(n)-Equivariance

21 January 2023

Yuanqing Wang

Papers citing "Spatial Attention Kinetic Networks with E(n)-Equivariance"

13 / 13 papers shown

Title
Molecular Dynamics and Machine Learning Unlock Possibilities in Beauty Design -- A Perspective Yuzhi Xu Haowei Ni Qinhui Gao Chia-Hua Chang Yanran Huo ... Yike Zhang Radu Grovu Min He John Z. H. Zhang Yuanqing Wang AI4CE 24 0 0 08 Oct 2024
On the design space between molecular mechanics and machine learning force fields Yuanqing Wang Kenichiro Takaba Michael S. Chen Marcus Wieder Yuzhi Xu ... Kyunghyun Cho Joe G. Greener Peter K. Eastman Stefano Martiniani M. Tuckerman AI4CE 37 4 0 03 Sep 2024
Non-convolutional Graph Neural Networks Yuanqing Wang N. Scherer-Negenborn GNN 16 3 0 31 Jul 2024
GeoMFormer: A General Architecture for Geometric Molecular Representation Learning Tianlang Chen Shengjie Luo Di He Shuxin Zheng Tie-Yan Liu Liwei Wang AI4CE 36 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 43 1 0 24 Jun 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 24 16 0 19 Jan 2024
Enabling Efficient Equivariant Operations in the Fourier Basis via Gaunt Tensor Products Shengjie Luo Tianlang Chen Aditi S. Krishnapriyan 25 19 0 18 Jan 2024
SEGNO: Generalizing Equivariant Graph Neural Networks with Physical Inductive Biases Yang Liu Jiashun Cheng Haihong Zhao Tingyang Xu P. Zhao Fugee Tsung Jia Li Yu Rong AI4CE 30 18 0 25 Aug 2023
TensorNet: Cartesian Tensor Representations for Efficient Learning of Molecular Potentials Guillem Simeon Gianni de Fabritiis 24 44 0 10 Jun 2023
EspalomaCharge: Machine learning-enabled ultra-fast partial charge assignment Yuanqing Wang Iván Pulido Kenichiro Takaba Benjamin Kaminow Jenke Scheen Lily Wang J. Chodera 21 17 0 14 Feb 2023
Directional Message Passing on Molecular Graphs via Synthetic Coordinates Johannes Klicpera Chandan Yeshwanth Stephan Günnemann 35 35 0 08 Nov 2021
E(3)-Equivariant Graph Neural Networks for Data-Efficient and Accurate Interatomic Potentials Simon L. Batzner Albert Musaelian Lixin Sun Mario Geiger J. Mailoa M. Kornbluth N. Molinari Tess E. Smidt Boris Kozinsky 190 1,229 0 08 Jan 2021
Benchmarking Graph Neural Networks Vijay Prakash Dwivedi Chaitanya K. Joshi Anh Tuan Luu T. Laurent Yoshua Bengio Xavier Bresson 186 913 0 02 Mar 2020