Equivariant Graph Mechanics Networks with Constraints

12 March 2022

Papers citing "Equivariant Graph Mechanics Networks with Constraints"

47 / 47 papers shown

Title
Fast and Accurate Antibody Sequence Design via Structure Retrieval Xingyi Zhang Kun Xie Ningqiao Huang W. Liu Peilin Zhao Sibo Wang Kangfei Zhao Biaobin Jiang 39 0 0 11 Feb 2025
Natural Language-Assisted Multi-modal Medication Recommendation Jie Tan Yu Rong Kangfei Zhao Tian Bian Tingyang Xu Junzhou Huang Hong Cheng H. Meng 49 1 0 13 Jan 2025
Geometric Trajectory Diffusion Models Jiaqi Han Minkai Xu Aaron Lou Haotian Ye Stefano Ermon DiffM 48 4 0 16 Oct 2024
Are High-Degree Representations Really Unnecessary in Equivariant Graph Neural Networks? Jiacheng Cen Anyi Li Ning Lin Yuxiang Ren Zihe Wang Wenbing Huang 38 2 0 15 Oct 2024
DEL: Discrete Element Learner for Learning 3D Particle Dynamics with Neural Rendering Jiaxu Wang Jingkai Sun Junhao He Ziyi Zhang Qiang Zhang Mingyuan Sun Renjing Xu AI4CE 30 0 0 11 Oct 2024
SITUATE: Indoor Human Trajectory Prediction through Geometric Features and Self-Supervised Vision Representation Luigi Capogrosso Andrea Toaiari Andrea Avogaro Uzair Khan Aditya Jivoji Franco Fummi Marco Cristani 28 0 0 01 Sep 2024
Subequivariant Reinforcement Learning in 3D Multi-Entity Physical Environments Runfa Chen Ling Wang Yu Du Tianrui Xue Fuchun Sun Jianwei Zhang Wenbing Huang OffRL 44 1 0 17 Jul 2024
Learning System Dynamics without Forgetting Xikun Zhang Dongjin Song Yushan Jiang Yixin Chen Dacheng Tao AI4CE 37 2 0 30 Jun 2024
Knowledge-Aware Parsimony Learning: A Perspective from Relational Graphs Quanming Yao Yongqi Zhang Yaqing Wang Nan Yin James Kwok Qiang Yang 29 0 0 29 Jun 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 48 1 0 24 Jun 2024
Equivariance via Minimal Frame Averaging for More Symmetries and Efficiency Yuchao Lin Jacob Helwig Shurui Gui Shuiwang Ji 39 7 0 11 Jun 2024
E(n) Equivariant Message Passing Cellular Networks Veljko Kovač Erik J. Bekkers Pietro Lio' Floor Eijkelboom 34 1 0 05 Jun 2024
Graph Neural PDE Solvers with Conservation and Similarity-Equivariance Masanobu Horie Naoto Mitsume AI4CE 27 5 0 25 May 2024
HeMeNet: Heterogeneous Multichannel Equivariant Network for Protein Multitask Learning Rong Han Wenbing Huang Lingxiao Luo Xinyan Han Jiaming Shen Zhiqiang Zhang Jun Zhou Ting Chen 28 2 0 02 Apr 2024
Subequivariant Reinforcement Learning Framework for Coordinated Motion Control Haoyu Wang Xiaoyu Tan Xihe Qiu Chao Qu 33 2 0 22 Mar 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 34 20 0 01 Mar 2024
Clifford Group Equivariant Simplicial Message Passing Networks Cong Liu David Ruhe Floor Eijkelboom Patrick Forré 21 13 0 15 Feb 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
Latent Field Discovery In Interacting Dynamical Systems With Neural Fields Miltiadis Kofinas Erik J. Bekkers N. S. Nagaraja E. Gavves AI4CE 33 7 0 31 Oct 2023
Physics-aware Machine Learning Revolutionizes Scientific Paradigm for Machine Learning and Process-based Hydrology Qingsong Xu Yilei Shi Jonathan Bamber Ye Tuo Ralf Ludwig Xiao Xiang Zhu AI4CE 18 9 0 08 Oct 2023
Using Multiple Vector Channels Improves E(n)-Equivariant Graph Neural Networks Daniel Levy Sekouba Kaba Carmelo Gonzales Santiago Miret Siamak Ravanbakhsh 36 5 0 06 Sep 2023
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
AbDiffuser: Full-Atom Generation of in vitro Functioning Antibodies Karolis Martinkus J. Ludwiczak Kyunghyun Cho Weishao Lian J. Lafrance-Vanasse ... A. Rajpal Y. Wu Richard Bonneau Vladimir Gligorijević Andreas Loukas DiffM 26 36 0 28 Jul 2023
A Systematic Survey in Geometric Deep Learning for Structure-based Drug Design Zaixin Zhang Jiaxian Yan Qi Liu Enhong Chen Marinka Zitnik 30 1 0 20 Jun 2023
Graph Neural Stochastic Differential Equations for Learning Brownian Dynamics S. Bishnoi J. Jayadeva Sayan Ranu N. M. A. Krishnan 22 3 0 20 Jun 2023
Generalist Equivariant Transformer Towards 3D Molecular Interaction Learning Xiangzhe Kong Wen-bing Huang Yang Liu 20 13 0 02 Jun 2023
Subequivariant Graph Reinforcement Learning in 3D Environments Runfa Chen Jiaqi Han Fuchun Sun Wen-bing Huang OffRL 31 9 0 30 May 2023
Newton-Cotes Graph Neural Networks: On the Time Evolution of Dynamic Systems Lingbing Guo Wei-Qun Wang Zhuo Chen Ningyu Zhang Zequn Sun Yixuan Lai Qiang Zhang Huajun Chen 14 5 0 24 May 2023
Equivariant Neural Simulators for Stochastic Spatiotemporal Dynamics Koen Minartz Y. Poels Simon Koop Vlado Menkovski 22 5 0 23 May 2023
Clifford Group Equivariant Neural Networks David Ruhe Johannes Brandstetter Patrick Forré 24 34 0 18 May 2023
Cross-Gate MLP with Protein Complex Invariant Embedding is A One-Shot Antibody Designer Cheng Tan Zhangyang Gao Lirong Wu Jun-Xiong Xia Jiangbin Zheng Xihong Yang Yue Liu Bozhen Hu Stan Z. Li 29 14 0 21 Apr 2023
A new perspective on building efficient and expressive 3D equivariant graph neural networks Weitao Du Yuanqi Du Limei Wang Dieqiao Feng Guifeng Wang Shuiwang Ji Carla P. Gomes Zhixin Ma AI4CE 22 33 0 07 Apr 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 30 96 0 20 Mar 2023
EquiPocket: an E(3)-Equivariant Geometric Graph Neural Network for Ligand Binding Site Prediction Yang Zhang Zhewei Wei Yefei Yuan Zhaohan Ding Wenbing Huang 27 16 0 23 Feb 2023
End-to-End Full-Atom Antibody Design Xiangzhe Kong Wenbing Huang Yang Liu 11 48 0 01 Feb 2023
Spatial Attention Kinetic Networks with E(n)-Equivariance Yuanqing Wang J. Chodera 27 15 0 21 Jan 2023
Geometry-Complete Perceptron Networks for 3D Molecular Graphs Alex Morehead Jianlin Cheng GNN 3DV AI4CE 24 12 0 04 Nov 2022
Learning Physical Dynamics with Subequivariant Graph Neural Networks Jiaqi Han Wenbing Huang Hengbo Ma Jiachen Li J. Tenenbaum Chuang Gan AI4CE PINN 27 43 0 13 Oct 2022
Enhancing the Inductive Biases of Graph Neural ODE for Modeling Dynamical Systems S. Bishnoi Ravinder Bhattoo Sayan Ranu N. M. A. Krishnan AI4CE 13 19 0 22 Sep 2022
Graph Neural Networks for Molecules Yuyang Wang Zijie Li A. Farimani GNN AI4CE 45 20 0 12 Sep 2022
Conditional Antibody Design as 3D Equivariant Graph Translation Xiangzhe Kong Wenbing Huang Yang Liu DiffM 17 84 0 12 Aug 2022
Graph Neural Network with Local Frame for Molecular Potential Energy Surface Xiyuan Wang Muhan Zhang 30 9 0 01 Aug 2022
Finding Diverse and Predictable Subgraphs for Graph Domain Generalization Junchi Yu Jian Liang Ran He OOD 18 11 0 19 Jun 2022
DiffMD: A Geometric Diffusion Model for Molecular Dynamics Simulations Fang Wu Stan Z. Li DiffM 19 31 0 19 Apr 2022
Learning Physics-Consistent Particle Interactions Zhichao Han David S. Kammer Olga Fink 9 7 0 01 Feb 2022
Interaction Networks for Learning about Objects, Relations and Physics Peter W. Battaglia Razvan Pascanu Matthew Lai Danilo Jimenez Rezende Koray Kavukcuoglu AI4CE OCL PINN GNN 278 1,400 0 01 Dec 2016