Keqiang Yan

22 papers A* 6A 1Journal 14Unranked 1
YearRankTypeTitle / Venue / Authors
2025 J jnl
A Materials Foundation Model via Hybrid Invariant-Equivariant Architectures.
CoRR
Keqiang Yan, Montgomery Bohde, Andrii Kryvenko, Ziyu Xiang, Kaiji Zhao, Siya Zhu, Saagar Kolachina, Doguhan Saritürk, Jianwen Xie, Raymundo Arróyave, Xiaoning Qian, Xiaofeng Qian, Shuiwang Ji
2025 J jnl
Artificial Intelligence for Science in Quantum, Atomistic, and Continuum Systems.
Found. Trends Mach. Learn.
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
2025 J jnl
Invariant Tokenization of Crystalline Materials for Language Model Enabled Generation.
CoRR
Keqiang Yan, Xiner Li, Hongyi Ling, Kenna Ashen, Carl Edwards, Raymundo Arróyave, Marinka Zitnik, Heng Ji, Xiaofeng Qian, Xiaoning Qian, Shuiwang Ji
2025 J jnl
Toward Greater Autonomy in Materials Discovery Agents: Unifying Planning, Physics, and Scientists.
CoRR
Lianhao Zhou, Hongyi Ling, Keqiang Yan, Kaiji Zhao, Xiaoning Qian, Raymundo Arróyave, Xiaofeng Qian, Shuiwang Ji
2024 A* conf
A Space Group Symmetry Informed Network for O(3) Equivariant Crystal Tensor Prediction.
ICML
Keqiang Yan, Alexandra Saxton, Xiaofeng Qian, Xiaoning Qian, Shuiwang Ji
2024 J jnl
A Space Group Symmetry Informed Network for O(3) Equivariant Crystal Tensor Prediction.
CoRR
Keqiang Yan, Alexandra Saxton, Xiaofeng Qian, Xiaoning Qian, Shuiwang Ji
2024 A* conf
Complete and Efficient Graph Transformers for Crystal Material Property Prediction.
ICLR
Keqiang Yan, Cong Fu, Xiaofeng Qian, Xiaoning Qian, Shuiwang Ji
2024 J jnl
Complete and Efficient Graph Transformers for Crystal Material Property Prediction.
CoRR
Keqiang Yan, Cong Fu, Xiaofeng Qian, Xiaoning Qian, Shuiwang Ji
2024 A* conf
Invariant Tokenization of Crystalline Materials for Language Model Enabled Generation.
NeurIPS
Keqiang Yan, Xiner Li, Hongyi Ling, Kenna Ashen, Carl Edwards, Raymundo Arróyave, Marinka Zitnik, Heng Ji, Xiaofeng Qian, Xiaoning Qian, Shuiwang Ji
2023 — conf
A Latent Diffusion Model for Protein Structure Generation.
LoG
Cong Fu, Keqiang Yan, Limei Wang, Wing Yee Au, Michael McThrow, Tao Komikado, Koji Maruhashi, Kanji Uchino, Xiaoning Qian, Shuiwang Ji
2023 J jnl
A Latent Diffusion Model for Protein Structure Generation.
CoRR
Cong Fu, Keqiang Yan, Limei Wang, Wing Yee Au, Michael McThrow, Tao Komikado, Koji Maruhashi, Kanji Uchino, Xiaoning Qian, Shuiwang Ji
2023 J jnl
Artificial Intelligence for Science in Quantum, Atomistic, and Continuum Systems.
CoRR
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, Haiyang Yu, Yuqing Xie, Xiang Fu, Alex Strasser, 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
2023 A* conf
Efficient Approximations of Complete Interatomic Potentials for Crystal Property Prediction.
ICML
Yuchao Lin, Keqiang Yan, Youzhi Luo, Yi Liu, Xiaoning Qian, Shuiwang Ji
2023 J jnl
Efficient Approximations of Complete Interatomic Potentials for Crystal Property Prediction.
CoRR
Yuchao Lin, Keqiang Yan, Youzhi Luo, Yi Liu, Xiaoning Qian, Shuiwang Ji
2022 A* conf
Periodic Graph Transformers for Crystal Material Property Prediction.
NeurIPS
Keqiang Yan, Yi Liu, Yuchao Lin, Shuiwang Ji
2022 J jnl
Periodic Graph Transformers for Crystal Material Property Prediction.
CoRR
Keqiang Yan, Yi Liu, Yuchao Lin, Shuiwang Ji
2021 J jnl
DIG: A Turnkey Library for Diving into Graph Deep Learning Research.
CoRR
Meng Liu, Youzhi Luo, Limei Wang, Yaochen Xie, Hao Yuan, Shurui Gui, Zhao Xu, Haiyang Yu, Jingtun Zhang, Yi Liu, Keqiang Yan, Bora Oztekin, Haoran Liu, Xuan Zhang, Cong Fu, Shuiwang Ji
2021 J jnl
DIG: A Turnkey Library for Diving into Graph Deep Learning Research.
J. Mach. Learn. Res.
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 Oztekin, Xuan Zhang, Shuiwang Ji
2021 A* conf
GraphDF: A Discrete Flow Model for Molecular Graph Generation.
ICML
Youzhi Luo, Keqiang Yan, Shuiwang Ji
2021 J jnl
GraphDF: A Discrete Flow Model for Molecular Graph Generation.
CoRR
Youzhi Luo, Keqiang Yan, Shuiwang Ji
2021 J jnl
GraphEBM: Molecular Graph Generation with Energy-Based Models.
CoRR
Meng Liu, Keqiang Yan, Bora Oztekin, Shuiwang Ji
2020 A conf
Multitask Attentive Network For Text Effects Quality Assessment.
ICME
Keqiang Yan, Shuai Yang, Wenjing Wang, Jiaying Liu