Complete and Efficient Graph Transformers for Crystal Material Property
Prediction

Complete and Efficient Graph Transformers for Crystal Material Property Prediction

18 March 2024

Papers citing "Complete and Efficient Graph Transformers for Crystal Material Property Prediction"

17 / 17 papers shown

Title
Quotient Complex Transformer (QCformer) for Perovskite Data Analysis Xinyu You Xiang Liu Chuan-Shen Hu Kelin Xia Tze Chien Sum 21 0 0 14 May 2025
CrystalFramer: Rethinking the Role of Frames for SE(3)-Invariant Crystal Structure Modeling Yusei Ito Tatsunori Taniai Ryo Igarashi Yoshitaka Ushiku K. Ono 60 0 0 04 Mar 2025
Invariant Tokenization of Crystalline Materials for Language Model Enabled Generation Keqiang Yan Xiner Li Hongyi Ling Kenna Ashen Carl N. Edwards ... Marinka Zitnik Heng Ji Xiaofeng Qian X. Qian Shuiwang Ji 35 3 0 28 Feb 2025
A Materials Foundation Model via Hybrid Invariant-Equivariant Architectures Keqiang Yan Montgomery Bohde Andrii Kryvenko Ziyu Xiang Kaiji Zhao ... Jianwen Xie Raymundo Arróyave X. Qian Xiaofeng Qian Shuiwang Ji 47 0 0 25 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 57 4 0 23 Feb 2025
MoMa: A Modular Deep Learning Framework for Material Property Prediction Botian Wang Y. Ouyang Yaohui Li Yixuan Wang Haorui Cui Jianbing Zhang Xiaonan Wang Wei-Ying Ma Hao Zhou 49 0 0 21 Feb 2025
Towards Efficient Large Language Models for Scientific Text: A Review H. To Ming Liu Guangyan Huang 35 1 0 20 Aug 2024
Generative Inverse Design of Crystal Structures via Diffusion Models with Transformers Izumi Takahara Kiyou Shibata Teruyasu Mizoguchi DiffM AI4CE 34 2 0 13 Jun 2024
Equivariance via Minimal Frame Averaging for More Symmetries and Efficiency Yuchao Lin Jacob Helwig Shurui Gui Shuiwang Ji 42 7 0 11 Jun 2024
A Space Group Symmetry Informed Network for O(3) Equivariant Crystal Tensor Prediction Keqiang Yan Alexandra Saxton Xiaofeng Qian Xiaoning Qian Shuiwang Ji 39 6 0 03 Jun 2024
Efficient Approximations of Complete Interatomic Potentials for Crystal Property Prediction Yu-Ching Lin Keqiang Yan Youzhi Luo Yi Liu Xiaoning Qian Shuiwang Ji 66 33 0 12 Jun 2023
Periodic Graph Transformers for Crystal Material Property Prediction Keqiang Yan Yi Liu Yu-Ching Lin Shuiwang Ji AI4TS 88 84 0 23 Sep 2022
Equiformer: Equivariant Graph Attention Transformer for 3D Atomistic Graphs Yi-Lun Liao Tess E. Smidt 80 215 0 23 Jun 2022
Crystal Diffusion Variational Autoencoder for Periodic Material Generation Tian Xie Xiang Fu O. Ganea Regina Barzilay Tommi Jaakkola DiffM BDL 212 232 0 12 Oct 2021
GraphDF: A Discrete Flow Model for Molecular Graph Generation Youzhi Luo Keqiang Yan Shuiwang Ji DRL 185 187 0 01 Feb 2021
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 206 1,240 0 08 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 232 503 0 20 Oct 2020