Yan, Keqiang

10 publications

FnTML 2025 Artificial Intelligence for Science in Quantum, Atomistic, and Continuum Systems Xuan Zhang, Limei Wang, Jacob Helwig, Youzhi Luo, Cong Fu, Yaochen Xie, Meng Liu, Yuchao Lin, Zhao Xu, Keqiang Yan, Keir Adams, Maurice Weiler, Xiner Li, Tianfan Fu, Yucheng Wang, Alex Strasser, Haiyang Yu, Yuqing Xie, Xiang Fu, Shenglong Xu, Yi Liu, Yuanqi Du, Alexandra Saxton, Hongyi Ling, Hannah Lawrence, Hannes Stärk, Shurui Gui, Carl Edwards, Nicholas Gao, Adriana Ladera, Tailin Wu, Elyssa F. Hofgard, Aria Mansouri Tehrani, Rui Wang, Ameya Daigavane, Montgomery Bohde, Jerry Kurtin, Qian Huang, Tuong Phung, Minkai Xu, Chaitanya K. Joshi, Simon V. Mathis, Kamyar Azizzadenesheli, Ada Fang, Alán Aspuru-Guzik, Erik J. Bekkers, Michael M. Bronstein, Marinka Zitnik, Anima Anandkumar, Stefano Ermon, Pietro Liò, Rose Yu, Stephan Günnemann, Jure Leskovec, Heng Ji, Jimeng Sun, Regina Barzilay, Tommi S. Jaakkola, Connor W. Coley, Xiaoning Qian, Xiaofeng Qian, Tess E. Smidt, Shuiwang Ji

ICML 2024 A Space Group Symmetry Informed Network for O(3) Equivariant Crystal Tensor Prediction Keqiang Yan, Alexandra Saxton, Xiaofeng Qian, Xiaoning Qian, Shuiwang Ji

ICLR 2024 Complete and Efficient Graph Transformers for Crystal Material Property Prediction Keqiang Yan, Cong Fu, Xiaofeng Qian, Xiaoning Qian, Shuiwang Ji

NeurIPS 2024 Invariant Tokenization of Crystalline Materials for Language Model Enabled Generation Keqiang Yan, Xiner Li, Hongyi Ling, Kenna Ashen, Carl Edwards, Raymundo Arróyave, Marinka Zitnik, Heng Ji, Xiaofeng Qian, Xiaoning Qian, Shuiwang Ji

LoG 2023 A Latent Diffusion Model for Protein Structure Generation Cong Fu, Keqiang Yan, Limei Wang, Wing Yee Au, Michael Curtis McThrow, Tao Komikado, Koji Maruhashi, Kanji Uchino, Xiaoning Qian, Shuiwang Ji

ICML 2023 Efficient Approximations of Complete Interatomic Potentials for Crystal Property Prediction Yuchao Lin, Keqiang Yan, Youzhi Luo, Yi Liu, Xiaoning Qian, Shuiwang Ji

NeurIPS 2022 Periodic Graph Transformers for Crystal Material Property Prediction Keqiang Yan, Yi Liu, Yuchao Lin, Shuiwang Ji

MLOSS 2021 DIG: A Turnkey Library for Diving into Graph Deep Learning Research Meng Liu, Youzhi Luo, Limei Wang, Yaochen Xie, Hao Yuan, Shurui Gui, Haiyang Yu, Zhao Xu, Jingtun Zhang, Yi Liu, Keqiang Yan, Haoran Liu, Cong Fu, Bora M Oztekin, Xuan Zhang, Shuiwang Ji

ICML 2021 GraphDF: A Discrete Flow Model for Molecular Graph Generation Youzhi Luo, Keqiang Yan, Shuiwang Ji

ICLRW 2021 GraphEBM: Molecular Graph Generation with Energy-Based Models Meng Liu, Keqiang Yan, Bora Oztekin, Shuiwang Ji