SE(3)-Transformers: 3D Roto-Translation Equivariant Attention Networks

18 June 2020

Papers citing "SE(3)-Transformers: 3D Roto-Translation Equivariant Attention Networks"

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Title
May the Force be with You: Unified Force-Centric Pre-Training for 3D Molecular Conformations Rui Feng Qi Zhu Huan Tran Binghong Chen Aubrey Toland R. Ramprasad Chao Zhang AI4CE 14 9 0 24 Aug 2023
Approximately Equivariant Graph Networks Ningyuan Huang Ron Levie Soledad Villar 32 18 0 21 Aug 2023
SE(3) Equivariant Augmented Coupling Flows Laurence I. Midgley Vincent Stimper Javier Antorán Emile Mathieu Bernhard Schölkopf José Miguel Hernández-Lobato 30 22 0 20 Aug 2023
Leveraging Symmetries in Pick and Place Hao-zhe Huang Dian Wang Arsh Tangri Robin G. Walters Robert W. Platt 25 14 0 15 Aug 2023
Semantic Equivariant Mixup Zongbo Han Tianchi Xie Bing Wu Qinghua Hu Changqing Zhang AAML 39 0 0 12 Aug 2023
Crystal Structure Prediction by Joint Equivariant Diffusion Rui Jiao Wen-bing Huang Peijia Lin Jiaqi Han Pin Chen Yutong Lu Yang Liu DiffM 11 59 0 30 Jul 2023
Learned Gridification for Efficient Point Cloud Processing P. A. V. D. Linden David W. Romero Erik J. Bekkers 3DPC 18 2 0 22 Jul 2023
RL4CO: an Extensive Reinforcement Learning for Combinatorial Optimization Benchmark Federico Berto Chuanbo Hua Junyoung Park Laurin Luttmann Yining Ma ... Guojie Song Changhyun Kwon Kevin Tierney Lin Xie Jinkyoo Park OffRL 22 27 0 29 Jun 2023
StrainTensorNet: Predicting crystal structure elastic properties using SE(3)-equivariant graph neural networks T. Pakornchote A. Ektarawong Thiparat Chotibut 13 4 0 22 Jun 2023
EquiformerV2: Improved Equivariant Transformer for Scaling to Higher-Degree Representations Yidong Liao Brandon M. Wood Abhishek Das Tess E. Smidt 19 128 0 21 Jun 2023
QH9: A Quantum Hamiltonian Prediction Benchmark for QM9 Molecules Haiyang Yu Meng Liu Youzhi Luo A. Strasser X. Qian Xiaoning Qian Shuiwang Ji 8 20 0 15 Jun 2023
Symmetry-Informed Geometric Representation for Molecules, Proteins, and Crystalline Materials Shengchao Liu Weitao Du Yanjing Li Zhuoxinran Li Zhiling Zheng ... Anima Anandkumar C. Borgs J. Chayes Hongyu Guo Jian Tang AI4CE 29 19 0 15 Jun 2023
$E(2)$ -Equivariant Vision Transformer Renjun Xu Kaifan Yang Ke Liu Fengxiang He ViT MDE 11 9 0 11 Jun 2023
TensorNet: Cartesian Tensor Representations for Efficient Learning of Molecular Potentials Guillem Simeon Gianni de Fabritiis 19 44 0 10 Jun 2023
Normalization-Equivariant Neural Networks with Application to Image Denoising Sébastien Herbreteau E. Moebel Charles Kervrann 12 9 0 08 Jun 2023
Efficient and Equivariant Graph Networks for Predicting Quantum Hamiltonian Haiyang Yu Zhao Xu X. Qian Xiaoning Qian Shuiwang Ji 23 24 0 08 Jun 2023
Learning Probabilistic Symmetrization for Architecture Agnostic Equivariance Jinwoo Kim Tien Dat Nguyen Ayhan Suleymanzade Hyeokjun An Seunghoon Hong 40 23 0 05 Jun 2023
DiffPack: A Torsional Diffusion Model for Autoregressive Protein Side-Chain Packing Yang Zhang Zuobai Zhang Bozitao Zhong Sanchit Misra Jian Tang DiffM 14 31 0 01 Jun 2023
Smooth, exact rotational symmetrization for deep learning on point clouds Sergey Pozdnyakov Michele Ceriotti 3DPC 30 25 0 30 May 2023
Subequivariant Graph Reinforcement Learning in 3D Environments Runfa Chen Jiaqi Han Fuchun Sun Wen-bing Huang OffRL 23 9 0 30 May 2023
Geometric Algebra Transformer Johann Brehmer P. D. Haan S. Behrends Taco S. Cohen 31 25 0 28 May 2023
Investigating how ReLU-networks encode symmetries Georg Bökman Fredrik Kahl 22 6 0 26 May 2023
Banana: Banach Fixed-Point Network for Pointcloud Segmentation with Inter-Part Equivariance Congyue Deng Jiahui Lei Bokui Shen Kostas Daniilidis Leonidas J. Guibas 3DPC 20 15 0 25 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
Evaluation of the MACE Force Field Architecture: from Medicinal Chemistry to Materials Science D. P. Kovács Ilyes Batatia E. Arany Gábor Csányi AI4CE 16 81 0 23 May 2023
Clifford Group Equivariant Neural Networks David Ruhe Johannes Brandstetter Patrick Forré 19 34 0 18 May 2023
Towards Multi-Layered 3D Garments Animation Yidi Shao Chen Change Loy Bo Dai 3DH AI4CE 11 10 0 17 May 2023
Object Re-Identification from Point Clouds Benjamin Thérien Chengjie Huang Adrian Chow Krzysztof Czarnecki 3DPC 28 2 0 17 May 2023
Cloud-RAIN: Point Cloud Analysis with Reflectional Invariance Yiming Cui Lecheng Ruan Hang Dong Qiang Li Zhongming Wu T. Zeng Fengyu Fan 3DPC 31 0 0 13 May 2023
E(n) Equivariant Message Passing Simplicial Networks Floor Eijkelboom Rob D. Hesselink Erik J. Bekkers 17 14 0 11 May 2023
Language models can generate molecules, materials, and protein binding sites directly in three dimensions as XYZ, CIF, and PDB files Daniel Flam-Shepherd Alán Aspuru-Guzik 17 51 0 09 May 2023
Geometric Latent Diffusion Models for 3D Molecule Generation Minkai Xu Alexander Powers R. Dror Stefano Ermon J. Leskovec DiffM AI4CE 48 133 0 02 May 2023
3D Molecular Geometry Analysis with 2D Graphs Zhao Xu Yaochen Xie Youzhi Luo Xuan Zhang Xinyi Xu Meng Liu Kaleb Dickerson Cheng Deng Maho Nakata Shuiwang Ji 13 1 0 01 May 2023
FAENet: Frame Averaging Equivariant GNN for Materials Modeling Alexandre Duval Victor Schmidt A. Garcia Santiago Miret Fragkiskos D. Malliaros Yoshua Bengio David Rolnick 20 52 0 28 Apr 2023
MUDiff: Unified Diffusion for Complete Molecule Generation Chenqing Hua Sitao Luan Minkai Xu Rex Ying Jie Fu Stefano Ermon Doina Precup DiffM 41 34 0 28 Apr 2023
Generalizing Neural Human Fitting to Unseen Poses With Articulated SE(3) Equivariance Haiwen Feng Peter Kulits Shichen Liu Michael J. Black Victoria Fernandez-Abrevaya 3DPC 3DH 14 10 0 20 Apr 2023
A Comprehensive Survey on Deep Graph Representation Learning Wei Ju Zheng Fang Yiyang Gu Zequn Liu Qingqing Long ... Jingyang Yuan Yusheng Zhao Yifan Wang Xiao Luo Ming Zhang GNN AI4TS 25 141 0 11 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 15 33 0 07 Apr 2023
GeoTMI:Predicting quantum chemical property with easy-to-obtain geometry via positional denoising Hyeonsu Kim Jeheon Woo Seonghwan Kim Seokhyun Moon Jun Hyeong Kim Woo Youn Kim AI4CE 24 6 0 28 Mar 2023
4D Panoptic Segmentation as Invariant and Equivariant Field Prediction Minghan Zhu Shizong Han H. Cai Shubhankar Borse M. G. Jadidi Fatih Porikli 3DPC 38 15 0 28 Mar 2023
Learning Harmonic Molecular Representations on Riemannian Manifold Yiqun Wang Yuning Shen Shih‐Ya Chen Lihao Wang Fei Ye Hao Zhou 25 12 0 27 Mar 2023
EFEM: Equivariant Neural Field Expectation Maximization for 3D Object Segmentation Without Scene Supervision Jiahui Lei Congyue Deng Karl Schmeckpeper Leonidas J. Guibas Kostas Daniilidis 3DPC 14 21 0 27 Mar 2023
Link Prediction for Flow-Driven Spatial Networks Bastian Wittmann Johannes C. Paetzold Chinmay Prabhakar Daniel Rueckert Bjoern H. Menze GNN 19 7 0 25 Mar 2023
Optimization Dynamics of Equivariant and Augmented Neural Networks Axel Flinth F. Ohlsson 25 5 0 23 Mar 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 22 96 0 20 Mar 2023
MELON: NeRF with Unposed Images in SO(3) A. Levy Mark J. Matthews Matan Sela Gordon Wetzstein Dmitry Lagun 33 1 0 14 Mar 2023
3D Equivariant Diffusion for Target-Aware Molecule Generation and Affinity Prediction Jiaqi Guan Wesley Wei Qian Xingang Peng Yufeng Su Jian-wei Peng Jianzhu Ma DiffM 15 162 0 06 Mar 2023
DR-Label: Improving GNN Models for Catalysis Systems by Label Deconstruction and Reconstruction Bo-Lan Wang Chen Liang Jiaze Wang Furui Liu Shaogang Hao Dong Li Jianye Hao Guangyong Chen Xiaolong Zou Pheng-Ann Heng 39 3 0 06 Mar 2023
Denoise Pretraining on Nonequilibrium Molecules for Accurate and Transferable Neural Potentials Yuyang Wang Chang Xu Zijie Li A. Farimani AAML AI4CE 19 20 0 03 Mar 2023
Deep Neural Networks with Efficient Guaranteed Invariances M. Rath A. P. Condurache 11 4 0 02 Mar 2023