Geometric and Physical Quantities Improve E(3) Equivariant Message Passing

6 October 2021

Johannes Brandstetter

Papers citing "Geometric and Physical Quantities Improve E(3) Equivariant Message Passing"

50 / 157 papers shown

Title
G-RepsNet: A Fast and General Construction of Equivariant Networks for Arbitrary Matrix Groups Sourya Basu Suhas Lohit Matthew Brand 42 0 0 23 Feb 2024
Universal Physics Transformers: A Framework For Efficiently Scaling Neural Operators Benedikt Alkin Andreas Fürst Simon Schmid Lukas Gruber Markus Holzleitner Johannes Brandstetter PINN AI4CE 53 8 0 19 Feb 2024
Clifford Group Equivariant Simplicial Message Passing Networks Cong Liu David Ruhe Floor Eijkelboom Patrick Forré 29 14 0 15 Feb 2024
Cartesian atomic cluster expansion for machine learning interatomic potentials Bingqing Cheng 44 30 0 12 Feb 2024
Impact of Domain Knowledge and Multi-Modality on Intelligent Molecular Property Prediction: A Systematic Survey Taojie Kuang Pengfei Liu Zhixiang Ren AI4CE 55 1 0 11 Feb 2024
Neural SPH: Improved Neural Modeling of Lagrangian Fluid Dynamics Artur P. Toshev Jonas A. Erbesdobler Nikolaus A. Adams Johannes Brandstetter AI4CE 48 4 0 09 Feb 2024
E(3)-Equivariant Mesh Neural Networks Thuan Trang Nhat-Khang Ngô Daniel Levy Thieu N. Vo Siamak Ravanbakhsh Truong-Son Hy MDE 45 3 0 07 Feb 2024
Triplet Interaction Improves Graph Transformers: Accurate Molecular Graph Learning with Triplet Graph Transformers Md Shamim Hussain Mohammed J Zaki D. Subramanian ViT 41 6 0 07 Feb 2024
On the Completeness of Invariant Geometric Deep Learning Models Zian Li Xiyuan Wang Shijia Kang Muhan Zhang 53 2 0 07 Feb 2024
Weisfeiler Leman for Euclidean Equivariant Machine Learning Snir Hordan Tal Amir Nadav Dym 49 5 0 04 Feb 2024
Structure-Aware E(3)-Invariant Molecular Conformer Aggregation Networks D. M. Nguyen Nina Lukashina Tai Nguyen An T. Le TrungTin Nguyen Nhat Ho Jan Peters Daniel Sonntag Viktor Zaverkin Mathias Niepert 44 5 0 03 Feb 2024
Energy-conserving equivariant GNN for elasticity of lattice architected metamaterials I. Grega Ilyes Batatia Gábor Csányi Sri Karlapati Vikram S. Deshpande 30 3 0 30 Jan 2024
Enabling Efficient Equivariant Operations in the Fourier Basis via Gaunt Tensor Products Shengjie Luo Tianlang Chen Aditi S. Krishnapriyan 45 19 0 18 Jan 2024
Euclidean, Projective, Conformal: Choosing a Geometric Algebra for Equivariant Transformers P. D. Haan Taco S. Cohen Johann Brehmer 35 9 0 08 Nov 2023
Investigating the Behavior of Diffusion Models for Accelerating Electronic Structure Calculations D. Rothchild Andrew S. Rosen Eric Taw Connie Robinson Joseph E. Gonzalez Aditi S. Krishnapriyan DiffM 32 2 0 02 Nov 2023
Latent Field Discovery In Interacting Dynamical Systems With Neural Fields Miltiadis Kofinas Erik J. Bekkers N. S. Nagaraja E. Gavves AI4CE 39 7 0 31 Oct 2023
Learning the dynamics of a one-dimensional plasma model with graph neural networks Diogo D Carvalho Diogo R Ferreira Luís O Silva AI4CE 29 0 0 26 Oct 2023
Equivariant Matrix Function Neural Networks Ilyes Batatia Lars L. Schaaf Huajie Chen Gábor Csányi Christoph Ortner Felix A. Faber 40 5 0 16 Oct 2023
GTA: A Geometry-Aware Attention Mechanism for Multi-View Transformers Takeru Miyato Bernhard Jaeger Max Welling Andreas Geiger ViT 39 15 0 16 Oct 2023
Lie Neurons: Adjoint-Equivariant Neural Networks for Semisimple Lie Algebras Tzu-Yuan Lin Minghan Zhu Maani Ghaffari 48 2 0 06 Oct 2023
Fast, Expressive SE $(n)$ Equivariant Networks through Weight-Sharing in Position-Orientation Space Erik J. Bekkers Sharvaree P. Vadgama Rob D. Hesselink P. A. V. D. Linden David W. Romero 27 25 0 04 Oct 2023
A Unified View on Neural Message Passing with Opinion Dynamics for Social Networks Outongyi Lv Bingxin Zhou Jing Wang Xiang Xiao Weishu Zhao Lirong Zheng 28 1 0 02 Oct 2023
LagrangeBench: A Lagrangian Fluid Mechanics Benchmarking Suite Stefania Costantini Gianluca Galletti Fabian Fritz Stefan Adami Nikolaus A. Adams 40 13 0 28 Sep 2023
E(2)-Equivariant Graph Planning for Navigation Linfeng Zhao Hongyu Li T. Padır Huaizu Jiang Lawson L. S. Wong 25 6 0 22 Sep 2023
Using Multiple Vector Channels Improves E(n)-Equivariant Graph Neural Networks Daniel Levy Sekouba Kaba Carmelo Gonzales Santiago Miret Siamak Ravanbakhsh 41 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 42 18 0 25 Aug 2023
$${\rm E}(3)$-Equivariant Actor-Critic Methods for Cooperative Multi-Agent Reinforcement Learning$ ${\rm E}(3)$ -Equivariant Actor-Critic Methods for Cooperative Multi-Agent Reinforcement Learning Dingyang Chen Qi Zhang 41 2 0 23 Aug 2023
Can Euclidean Symmetry be Leveraged in Reinforcement Learning and Planning? Linfeng Zhao Owen Howell Jung Yeon Park Xu Zhu Robin Walters Lawson L. S. Wong 36 1 0 17 Jul 2023
A Survey on Graph Neural Networks for Time Series: Forecasting, Classification, Imputation, and Anomaly Detection Ming Jin Huan Yee Koh Qingsong Wen Daniele Zambon Cesare Alippi G. I. Webb Irwin King Shirui Pan AI4TS AI4CE 44 145 0 07 Jul 2023
EquiformerV2: Improved Equivariant Transformer for Scaling to Higher-Degree Representations Yidong Liao Brandon M. Wood Abhishek Das Tess E. Smidt 34 133 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 21 20 0 15 Jun 2023
On the Interplay of Subset Selection and Informed Graph Neural Networks Niklas Breustedt Paolo Climaco Jochen Garcke J. Hamaekers Gitta Kutyniok D. Lorenz Rick Oerder Chirag Varun Shukla 33 0 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 38 20 0 15 Jun 2023
TensorNet: Cartesian Tensor Representations for Efficient Learning of Molecular Potentials Guillem Simeon Gianni De Fabritiis 37 44 0 10 Jun 2023
Multi-body SE(3) Equivariance for Unsupervised Rigid Segmentation and Motion Estimation Jianqi Zhong Ta-Ying Cheng Yuhang He Kai Lu Kaichen Zhou Andrew Markham Niki Trigoni 3DPC 35 1 0 08 Jun 2023
Scaling Spherical CNNs Carlos Esteves Jean-Jacques E. Slotine A. Makadia GNN LRM 27 14 0 08 Jun 2023
Efficient and Equivariant Graph Networks for Predicting Quantum Hamiltonian Haiyang Yu Zhao Xu X. Qian Xiaoning Qian Shuiwang Ji 47 24 0 08 Jun 2023
A General Framework for Equivariant Neural Networks on Reductive Lie Groups Ilyes Batatia Mario Geiger José M. Muñoz Tess E. Smidt L. Silberman Christoph Ortner AI4CE 29 11 0 31 May 2023
SO(2)-Equivariant Downwash Models for Close Proximity Flight Henry Smith Ajay Shankar Jennifer Gielis J. Blumenkamp A. Prorok 31 7 0 30 May 2023
Geometric Algebra Transformer Johann Brehmer P. D. Haan S. Behrends Taco S. Cohen 43 27 0 28 May 2023
Learning Lagrangian Fluid Mechanics with E( $3$ )-Equivariant Graph Neural Networks Artur P. Toshev Gianluca Galletti Johannes Brandstetter Stefan Adami Nikolaus A. Adams AI4CE 34 5 0 24 May 2023
Newton-Cotes Graph Neural Networks: On the Time Evolution of Dynamic Systems Lingbing Guo Wei Wang Zhuo Chen Ningyu Zhang Zequn Sun Yixuan Lai Qiang Zhang Huajun Chen 21 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 26 82 0 23 May 2023
Clifford Group Equivariant Neural Networks David Ruhe Johannes Brandstetter Patrick Forré 42 35 0 18 May 2023
Towards Multi-Layered 3D Garments Animation Yidi Shao Chen Change Loy Bo Dai 3DH AI4CE 36 11 0 17 May 2023
E(n) Equivariant Message Passing Simplicial Networks Floor Eijkelboom Rob D. Hesselink Erik J. Bekkers 22 14 0 11 May 2023
Coarse-to-Fine: a Hierarchical Diffusion Model for Molecule Generation in 3D Yiran Zhou Yuxuan Song Minkai Xu Jingjing Gong B. Gao Hao Zhou Weiying Ma Yanyan Lan DiffM 55 18 0 05 May 2023
An Exploration of Conditioning Methods in Graph Neural Networks Yeskendir Koishekenov Erik J. Bekkers AI4CE 45 3 0 03 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 44 57 0 28 Apr 2023
$$E(3) \times SO(3)$-Equivariant Networks for Spherical Deconvolution in Diffusion MRI$ $E(3) \times SO(3)$ -Equivariant Networks for Spherical Deconvolution in Diffusion MRI Axel Elaldi Guido Gerig Neel Dey MedIm 22 3 0 12 Apr 2023