EquiformerV2: Improved Equivariant Transformer for Scaling to Higher-Degree Representations

21 June 2023

Papers citing "EquiformerV2: Improved Equivariant Transformer for Scaling to Higher-Degree Representations"

22 / 22 papers shown

Title
Towards Faster and More Compact Foundation Models for Molecular Property Prediction Yasir Ghunaim Andrés Villa Gergo Ignacz Gyorgy Szekely Motasem Alfarra Bernard Ghanem AI4CE 84 0 0 28 Apr 2025
Uncertainty Quantification in Graph Neural Networks with Shallow Ensembles Tirtha Vinchurkar Kareem Abdelmaqsoud John R. Kitchin AI4CE 86 0 0 17 Apr 2025
Quantifying Robustness: A Benchmarking Framework for Deep Learning Forecasting in Cyber-Physical Systems Alexander Windmann Henrik S. Steude Daniel Boschmann Oliver Niggemann OOD AI4TS 31 0 0 04 Apr 2025
A practical guide to machine learning interatomic potentials -- Status and future Ryan Jacobs D. Morgan Siamak Attarian Jun Meng Chen Shen ... K. J. Schmidt So Takamoto Aidan Thompson Julia Westermayr Brandon M. Wood 55 4 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 68 0 0 26 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
Learning local equivariant representations for quantum operators Zhanghao Zhouyin Zixi Gan MingKang Liu S. K. Pandey Linfeng Zhang Qiangqiang Gu 70 3 0 28 Jan 2025
The dark side of the forces: assessing non-conservative force models for atomistic machine learning Filippo Bigi Marcel F. Langer Michele Ceriotti AI4CE 91 6 0 16 Dec 2024
Relaxed Equivariance via Multitask Learning Ahmed A. A. Elhag T. Konstantin Rusch Francesco Di Giovanni Michael Bronstein 42 2 0 23 Oct 2024
Open Materials 2024 (OMat24) Inorganic Materials Dataset and Models Luis Barroso-Luque Muhammed Shuaibi Xiang Fu Brandon M. Wood Misko Dzamba Meng Gao Ammar Rizvi C. L. Zitnick Zachary W. Ulissi AI4CE PINN 24 16 0 16 Oct 2024
Physics-Informed Weakly Supervised Learning for Interatomic Potentials Makoto Takamoto Viktor Zaverkin Mathias Niepert AI4CE 55 0 0 23 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 36 5 0 24 Jun 2024
Flexible SE(2) graph neural networks with applications to PDE surrogates Maria Bånkestad Olof Mogren Aleksis Pirinen 39 1 0 30 May 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 39 5 0 29 May 2024
Steerable Transformers Soumyabrata Kundu Risi Kondor ViT LLMSV 22 1 0 24 May 2024
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 24 33 0 28 Aug 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
Spherical Channels for Modeling Atomic Interactions C. L. Zitnick Abhishek Das Adeesh Kolluru Janice Lan Muhammed Shuaibi Anuroop Sriram Zachary W. Ulissi Brandon M. Wood 79 57 0 29 Jun 2022
Equiformer: Equivariant Graph Attention Transformer for 3D Atomistic Graphs Yi-Lun Liao Tess E. Smidt 75 211 0 23 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 190 1,229 0 08 Jan 2021
Transformers in Vision: A Survey Salman Khan Muzammal Naseer Munawar Hayat Syed Waqas Zamir F. Khan M. Shah ViT 225 2,427 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 221 498 0 20 Oct 2020