E(n) Equivariant Graph Neural Networks

19 February 2021

Papers citing "E(n) Equivariant Graph Neural Networks"

50 / 69 papers shown

Title
AdS-GNN -- a Conformally Equivariant Graph Neural Network Maksim Zhdanov Nabil Iqbal Erik Bekkers Patrick Forré 68 1 0 19 May 2025
FA-KPConv: Introducing Euclidean Symmetries to KPConv via Frame Averaging Ali Alawieh Alexandru P. Condurache 3DPC 128 0 0 07 May 2025
Clifford Group Equivariant Diffusion Models for 3D Molecular Generation Cong Liu Sharvaree P. Vadgama David Ruhe Erik Bekkers Patrick Forré DiffM 60 0 0 22 Apr 2025
ProtPainter: Draw or Drag Protein via Topology-guided Diffusion Zhengxi Lu Shizhuo Cheng Yuru Jiang Yan Zhang M. Zhang DiffM 59 0 0 19 Apr 2025
Adjoint Sampling: Highly Scalable Diffusion Samplers via Adjoint Matching Aaron J. Havens Benjamin Kurt Miller Bing Yan Carles Domingo-Enrich Anuroop Sriram ... Brandon Amos Brian Karrer Xiang Fu Guan-Horng Liu Ricky T. Q. Chen DiffM 111 2 0 16 Apr 2025
Towards Unified and Lossless Latent Space for 3D Molecular Latent Diffusion Modeling Yanchen Luo Zhiyuan Liu Yi Zhao Changhao Nai Kenji Kawaguchi Tat-Seng Chua Xiang Wang Yang Zhang Xiang Wang MedIm 111 0 0 19 Mar 2025
Permutation Equivariant Neural Networks for Symmetric Tensors Edward Pearce-Crump 177 1 0 14 Mar 2025
Spherical Tree-Sliced Wasserstein Distance Hoang V. Tran Thanh T. Chu K. Nguyen Trang Pham Tam Le Trung Quoc Nguyen OT 84 5 0 14 Mar 2025
All-atom Diffusion Transformers: Unified generative modelling of molecules and materials Chaitanya K. Joshi Xiang Fu Yi-Lun Liao Vahe Gharakhanyan Benjamin Kurt Miller Anuroop Sriram Zachary W. Ulissi DiffM 149 7 0 05 Mar 2025
Enhancing the Scalability and Applicability of Kohn-Sham Hamiltonians for Molecular Systems Yunyang Li Zaishuo Xia Lin Huang Xinran Wei Han Yang ... Zun Wang Chang-Shu Liu Jia Zhang Jia Zhang Mark B. Gerstein 121 2 0 26 Feb 2025
NExT-Mol: 3D Diffusion Meets 1D Language Modeling for 3D Molecule Generation Zhiyuan Liu Yanchen Luo Han Huang Enzhi Zhang Changhao Nai Sihang Li Yaorui Shi Xiang Wang Kenji Kawaguchi Tat-Seng Chua 150 3 0 18 Feb 2025
UniZyme: A Unified Protein Cleavage Site Predictor Enhanced with Enzyme Active-Site Knowledge Chenao Li Shuo Yan Enyan Dai 77 0 0 10 Feb 2025
Graph Pseudotime Analysis and Neural Stochastic Differential Equations for Analyzing Retinal Degeneration Dynamics and Beyond Dai Shi Kuan Yan Lequan Lin Yue Zeng Ting Zhang D. Matsypura Mark C. Gillies Ling Zhu Junbin Gao 141 1 0 10 Feb 2025
SymmCD: Symmetry-Preserving Crystal Generation with Diffusion Models Daniel Levy Siba Smarak Panigrahi Sékou-Oumar Kaba Qiang Zhu Kin Long Kelvin Lee Mikhail Galkin Santiago Miret Siamak Ravanbakhsh 435 15 0 05 Feb 2025
Learning local equivariant representations for quantum operators Zhanghao Zhouyin Zixi Gan MingKang Liu S. K. Pandey Linfeng Zhang Qiangqiang Gu 150 4 0 28 Jan 2025
Approximate Equivariance in Reinforcement Learning Jung Yeon Park Sujay Bhatt Sihan Zeng Lawson L. S. Wong Alec Koppel Sumitra Ganesh Robin Walters 68 1 0 06 Nov 2024
Lorentz-Equivariant Quantum Graph Neural Network for High-Energy Physics Md Abrar Jahin Md. Akmol Masud Md Wahiduzzaman Suva M. F. Mridha Nilanjan Dey 86 1 0 03 Nov 2024
Training Neural Samplers with Reverse Diffusive KL Divergence Wenlin Chen Jiajun He Mingtian Zhang David Barber José Miguel Hernández-Lobato DiffM 79 7 0 16 Oct 2024
Beyond Sequence: Impact of Geometric Context for RNA Property Prediction Junjie Xu Artem Moskalev Tommaso Mansi Mangal Prakash Rui Liao AI4CE 66 3 0 15 Oct 2024
UniGEM: A Unified Approach to Generation and Property Prediction for Molecules Shikun Feng Yuyan Ni Yan Lu Zhi-Ming Ma Wei-Ying Ma Yanyan Lan 72 6 0 14 Oct 2024
MOFFlow: Flow Matching for Structure Prediction of Metal-Organic Frameworks N. Kim Seongsu Kim Minsu Kim Jinkyoo Park Sungsoo Ahn AI4CE 91 4 0 07 Oct 2024
Geometric Representation Condition Improves Equivariant Molecule Generation Zian Li Cai Zhou Xiyuan Wang Xingang Peng Muhan Zhang 59 2 0 04 Oct 2024
CoPRA: Bridging Cross-domain Pretrained Sequence Models with Complex Structures for Protein-RNA Binding Affinity Prediction Rong Han Xiaohong Liu Tong Pan Jing Xu Xiaoyu Wang ... Zhenyu Li Zixuan Wang Jiangning Song Guangyu Wang Ting Chen 62 2 0 21 Aug 2024
On the Expressive Power of Sparse Geometric MPNNs Yonatan Sverdlov Nadav Dym 79 2 0 02 Jul 2024
Neural Networks Trained by Weight Permutation are Universal Approximators Yongqiang Cai Gaohang Chen Zhonghua Qiao 137 1 0 01 Jul 2024
Eliminating Position Bias of Language Models: A Mechanistic Approach Ziqi Wang Hanlin Zhang Xiner Li Kuan-Hao Huang Chi Han Shuiwang Ji Sham Kakade Hao Peng Heng Ji 107 17 0 01 Jul 2024
Learning System Dynamics without Forgetting Xikun Zhang Dongjin Song Yushan Jiang Yixin Chen Dacheng Tao AI4CE 111 2 0 30 Jun 2024
Molecule Graph Networks with Many-body Equivariant Interactions Zetian Mao Jiawen Li Chen Liang Diptesh Das Masato Sumita Koji Tsuda Kelin Xia Koji Tsuda 76 1 0 19 Jun 2024
Neural Approximate Mirror Maps for Constrained Diffusion Models Berthy Feng Ricardo Baptista Katherine Bouman MedIm DiffM 89 3 0 18 Jun 2024
Grounding Continuous Representations in Geometry: Equivariant Neural Fields David R. Wessels David M. Knigge Samuele Papa Riccardo Valperga Sharvaree P. Vadgama E. Gavves Erik J. Bekkers 111 9 0 09 Jun 2024
E(n) Equivariant Topological Neural Networks Claudio Battiloro Ege Karaismailoglu Mauricio Tec George Dasoulas Michelle Audirac Francesca Dominici 86 9 0 24 May 2024
A Survey on Vision-Language-Action Models for Embodied AI Yueen Ma Zixing Song Yuzheng Zhuang Jianye Hao Irwin King LM&Ro 239 52 0 23 May 2024
Multi-Type Point Cloud Autoencoder: A Complete Equivariant Embedding for Molecule Conformation and Pose Michael Kilgour Mark Tuckerman Jutta Rogal 62 0 0 22 May 2024
Guided Multi-objective Generative AI to Enhance Structure-based Drug Design Amit Kadan Kevin Ryczko Erika Lloyd A. Roitberg Takeshi Yamazaki 118 1 0 20 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 110 23 0 01 Mar 2024
Probabilistic Forecasting of Irregular Time Series via Conditional Flows Vijaya Krishna Yalavarthi Randolf Scholz Stefan Born Lars Schmidt-Thieme AI4TS 102 0 0 09 Feb 2024
Manifold GCN: Diffusion-based Convolutional Neural Network for Manifold-valued Graphs M. Hanik Gabriele Steidl C. V. Tycowicz GNN MedIm 89 3 0 25 Jan 2024
Generative Graphical Inverse Kinematics Oliver Limoyo Filip Marić Matthew Giamou Petra Alexson Ivan Petrović Jonathan Kelly 81 1 0 19 Sep 2022
Fast and Uncertainty-Aware Directional Message Passing for Non-Equilibrium Molecules Johannes Klicpera Shankari Giri Johannes T. Margraf Stephan Günnemann 76 322 0 28 Nov 2020
Group Equivariant Stand-Alone Self-Attention For Vision David W. Romero Jean-Baptiste Cordonnier MDE 138 60 0 02 Oct 2020
Relevance of Rotationally Equivariant Convolutions for Predicting Molecular Properties Benjamin Kurt Miller Mario Geiger Tess E. Smidt Frank Noé 56 78 0 19 Aug 2020
SE(3)-Transformers: 3D Roto-Translation Equivariant Attention Networks F. Fuchs Daniel E. Worrall Volker Fischer Max Welling 3DPC 145 692 0 18 Jun 2020
Equivariant Flows: Exact Likelihood Generative Learning for Symmetric Densities Jonas Köhler Leon Klein Frank Noé DRL 79 271 0 03 Jun 2020
Isometric Transformation Invariant and Equivariant Graph Convolutional Networks Masanobu Horie Naoki Morita Toshiaki Hishinuma Yushi Ihara Naoto Mitsume GNN 32 23 0 13 May 2020
Directional Message Passing for Molecular Graphs Johannes Klicpera Janek Groß Stephan Günnemann 116 871 0 06 Mar 2020
Generalizing Convolutional Neural Networks for Equivariance to Lie Groups on Arbitrary Continuous Data Marc Finzi Samuel Stanton Pavel Izmailov A. Wilson 113 323 0 25 Feb 2020
Set2Graph: Learning Graphs From Sets Hadar Serviansky Nimrod Segol Jonathan Shlomi Kyle Cranmer Eilam Gross Haggai Maron Y. Lipman PINN GNN 78 35 0 20 Feb 2020
General $E(2)$ -Equivariant Steerable CNNs Maurice Weiler Gabriele Cesa 91 524 0 19 Nov 2019
Equivariant Flows: sampling configurations for multi-body systems with symmetric energies Jonas Köhler Leon Klein Frank Noé 73 91 0 02 Oct 2019
Equivariant Hamiltonian Flows Danilo Jimenez Rezende S. Racanière I. Higgins Peter Toth 51 64 0 30 Sep 2019