Equiformer: Equivariant Graph Attention Transformer for 3D Atomistic Graphs

23 June 2022

Papers citing "Equiformer: Equivariant Graph Attention Transformer for 3D Atomistic Graphs"

40 / 40 papers shown

Title
Uncertainty Quantification in Graph Neural Networks with Shallow Ensembles Tirtha Vinchurkar Kareem Abdelmaqsoud John R. Kitchin AI4CE 91 0 0 17 Apr 2025
SE(3)-Equivariant Robot Learning and Control: A Tutorial Survey Joohwan Seo Soochul Yoo Junwoo Chang Hyunseok An Hyunwoo Ryu Soomi Lee Arvind Kruthiventy Jongeun Choi R. Horowitz 71 2 0 12 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 Bin Shao Mark B. Gerstein 74 0 0 26 Feb 2025
A Survey of Graph Transformers: Architectures, Theories and Applications Chaohao Yuan Kangfei Zhao Ercan Engin Kuruoglu Liang Wang Tingyang Xu Wenbing Huang Deli Zhao Hong Cheng Yu Rong 55 4 0 23 Feb 2025
Equivariant Masked Position Prediction for Efficient Molecular Representation Junyi An C. Qu Yun-Fei Shi XinHao Liu Qianwei Tang Fenglei Cao Yuan Qi 35 0 0 12 Feb 2025
Retro-Rank-In: A Ranking-Based Approach for Inorganic Materials Synthesis Planning Thorben Prein Elton Pan Sami Haddouti Marco Lorenz Janik Jehkul ... Cansu Moran Menelaos Panagiotis Fotiadis Artur P. Toshev E. Olivetti Jennifer L.M. Rupp 44 0 0 06 Feb 2025
Learning local equivariant representations for quantum operators Zhanghao Zhouyin Zixi Gan MingKang Liu S. K. Pandey Linfeng Zhang Qiangqiang Gu 72 3 0 28 Jan 2025
ET-SEED: Efficient Trajectory-Level SE(3) Equivariant Diffusion Policy Chenrui Tie Yue Chen Ruihai Wu Boxuan Dong Z. Li Chongkai Gao Hao Dong 51 3 0 06 Nov 2024
Relaxed Equivariance via Multitask Learning Ahmed A. A. Elhag T. Konstantin Rusch Francesco Di Giovanni Michael Bronstein 42 2 0 23 Oct 2024
MATCH POLICY: A Simple Pipeline from Point Cloud Registration to Manipulation Policies Haojie Huang Haotian Liu Dian Wang Robin Walters Robert Platt 3DPC 97 2 0 23 Sep 2024
Improving Equivariant Model Training via Constraint Relaxation Stefanos Pertigkiozoglou Evangelos Chatzipantazis Shubhendu Trivedi Kostas Daniilidis 39 4 0 23 Aug 2024
SE(3)-Hyena Operator for Scalable Equivariant Learning Artem Moskalev Mangal Prakash Rui Liao Tommaso Mansi 46 2 0 01 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 38 5 0 24 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 35 1 0 19 Jun 2024
Equivariant Neural Tangent Kernels Philipp Misof Pan Kessel Jan E. Gerken 50 0 0 10 Jun 2024
Multivector Neurons: Better and Faster O(n)-Equivariant Clifford Graph Neural Networks Cong Liu David Ruhe Patrick Forré 34 1 0 06 Jun 2024
A Recipe for Charge Density Prediction Xiang Fu Andrew S. Rosen Kyle Bystrom Rui Wang Albert Musaelian Boris Kozinsky Tess E. Smidt Tommi Jaakkola 48 5 0 29 May 2024
Steerable Transformers Soumyabrata Kundu Risi Kondor ViT LLMSV 30 1 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 34 20 0 01 Mar 2024
On the Completeness of Invariant Geometric Deep Learning Models Zian Li Xiyuan Wang Shijia Kang Muhan Zhang 33 2 0 07 Feb 2024
Equivariant Symmetry Breaking Sets YuQing Xie Tess E. Smidt 25 4 0 05 Feb 2024
From Molecules to Materials: Pre-training Large Generalizable Models for Atomic Property Prediction Nima Shoghi Adeesh Kolluru John R. Kitchin Zachary W. Ulissi C. L. Zitnick Brandon M. Wood AI4CE 22 32 0 25 Oct 2023
EGraFFBench: Evaluation of Equivariant Graph Neural Network Force Fields for Atomistic Simulations Vaibhav Bihani Utkarsh Pratiush Sajid Mannan Tao Du Zhimin Chen Santiago Miret Matthieu Micoulaut M. Smedskjaer Sayan Ranu N. M. A. Krishnan 24 19 0 03 Oct 2023
Uncovering Neural Scaling Laws in Molecular Representation Learning Dingshuo Chen Yanqiao Zhu Jieyu Zhang Yuanqi Du Zhixun Li Qiang Liu Shu Wu Liang Wang 32 16 0 15 Sep 2023
Matbench Discovery -- A framework to evaluate machine learning crystal stability predictions Janosh Riebesell Rhys E. A. Goodall Philipp Benner Chiang Yuan Bowen Deng A. Lee Anubhav Jain Kristin A. Persson OOD 28 33 0 28 Aug 2023
SE(3) Equivariant Augmented Coupling Flows Laurence I. Midgley Vincent Stimper Javier Antorán Emile Mathieu Bernhard Schölkopf José Miguel Hernández-Lobato 35 22 0 20 Aug 2023
CTAGE: Curvature-Based Topology-Aware Graph Embedding for Learning Molecular Representations Yili Chen Zhengyu Li Zheng Wan Hui Yu Xian Wei 21 0 0 25 Jul 2023
MoleCLUEs: Molecular Conformers Maximally In-Distribution for Predictive Models Michael R. Maser Natasa Tagasovska Jae Hyeon Lee Andrew Watkins 31 0 0 20 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 13 20 0 15 Jun 2023
Generalist Equivariant Transformer Towards 3D Molecular Interaction Learning Xiangzhe Kong Wen-bing Huang Yang Liu 22 13 0 02 Jun 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 27 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 30 6 0 28 Mar 2023
MiDi: Mixed Graph and 3D Denoising Diffusion for Molecule Generation Clément Vignac Nagham Osman Laura Toni P. Frossard DiffM 41 50 0 17 Feb 2023
Reducing SO(3) Convolutions to SO(2) for Efficient Equivariant GNNs Saro Passaro C. L. Zitnick 3DPC 26 79 0 07 Feb 2023
Equivariant Descriptor Fields: SE(3)-Equivariant Energy-Based Models for End-to-End Visual Robotic Manipulation Learning Hyunwoo Ryu Jeong-Hoon Lee Honglak Lee Jongeun Choi 37 53 0 16 Jun 2022
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 203 1,238 0 08 Jan 2021
Transformers in Vision: A Survey Salman Khan Muzammal Naseer Munawar Hayat Syed Waqas Zamir F. Khan M. Shah ViT 227 2,428 0 04 Jan 2021
The Open Catalyst 2020 (OC20) Dataset and Community Challenges L. Chanussot Abhishek Das Siddharth Goyal Thibaut Lavril Muhammed Shuaibi ... Brandon M. Wood Junwoong Yoon Devi Parikh C. L. Zitnick Zachary W. Ulissi 226 503 0 20 Oct 2020
MobileNets: Efficient Convolutional Neural Networks for Mobile Vision Applications Andrew G. Howard Menglong Zhu Bo Chen Dmitry Kalenichenko Weijun Wang Tobias Weyand M. Andreetto Hartwig Adam 3DH 950 20,561 0 17 Apr 2017
ImageNet Large Scale Visual Recognition Challenge Olga Russakovsky Jia Deng Hao Su J. Krause S. Satheesh ... A. Karpathy A. Khosla Michael S. Bernstein Alexander C. Berg Li Fei-Fei VLM ObjD 296 39,194 0 01 Sep 2014