Qian, Xiaofeng

9 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

NeurIPS 2025 Graph-Based Symbolic Regression with Invariance and Constraint Encoding Ziyu Xiang, Kenna Ashen, Xiaofeng Qian, Xiaoning Qian

NeurIPS 2025 Tensor Decomposition Networks for Fast Machine Learning Interatomic Potential Computations Yuchao Lin, Cong Fu, Zachary Krueger, Haiyang Yu, Maho Nakata, Jianwen Xie, Emine Kucukbenli, Xiaofeng Qian, 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

ICML 2023 Efficient and Equivariant Graph Networks for Predicting Quantum Hamiltonian Haiyang Yu, Zhao Xu, Xiaofeng Qian, Xiaoning Qian, Shuiwang Ji

NeurIPS 2023 QH9: A Quantum Hamiltonian Prediction Benchmark for QM9 Molecules Haiyang Yu, Meng Liu, Youzhi Luo, Alex Strasser, Xiaofeng Qian, Xiaoning Qian, Shuiwang Ji

AAAI 2021 Physics-Constrained Automatic Feature Engineering for Predictive Modeling in Materials Science Ziyu Xiang, Mingzhou Fan, Guillermo Vázquez Tovar, William Trehern, Byung-Jun Yoon, Xiaofeng Qian, Raymundo Arróyave, Xiaoning Qian