Multitask Attentive Network For Text Effects Quality Assessment. - Keqiang Yan; Shuai Yang 001; Wenjing Wang 001; Jiaying Liu 001 (ICME, 2020)

GraphDF: A Discrete Flow Model for Molecular Graph Generation. - Youzhi Luo; Keqiang Yan; Shuiwang Ji (ICML, 2021)

GraphEBM: Molecular Graph Generation with Energy-Based Models. - Meng Liu 015; Keqiang Yan; Bora Oztekin; Shuiwang Ji (CoRR, 2021)

DIG: A Turnkey Library for Diving into Graph Deep Learning Research. - Meng Liu 015; Youzhi Luo; Limei Wang; Yaochen Xie; Hao Yuan 001; Shurui Gui; Haiyang Yu 005; Zhao Xu 005; Jingtun Zhang; Yi Liu 059; Keqiang Yan; Haoran Liu; et al. (J. Mach. Learn. Res., 2021)

Periodic Graph Transformers for Crystal Material Property Prediction. - Keqiang Yan; Yi Liu 059; Yuchao Lin; Shuiwang Ji (NeurIPS, 2022)

Efficient Approximations of Complete Interatomic Potentials for Crystal Property Prediction. - Yuchao Lin; Keqiang Yan; Youzhi Luo; Yi Liu 059; Xiaoning Qian; Shuiwang Ji (ICML, 2023)

A Latent Diffusion Model for Protein Structure Generation. - Cong Fu 003; Keqiang Yan; Limei Wang; Wing Yee Au 002; Michael McThrow; Tao Komikado; Koji Maruhashi; Kanji Uchino; Xiaoning Qian; Shuiwang Ji (LoG, 2023)

Complete and Efficient Graph Transformers for Crystal Material Property Prediction. - Keqiang Yan; Cong Fu 003; Xiaofeng Qian; Xiaoning Qian; Shuiwang Ji (ICLR, 2024)

A Space Group Symmetry Informed Network for O(3) Equivariant Crystal Tensor Prediction. - Keqiang Yan; Alexandra Saxton; Xiaofeng Qian; Xiaoning Qian; Shuiwang Ji (ICML, 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 001; Xiaofeng Qian; Xiaoning Qian; Shuiwang Ji (NeurIPS, 2024)

Artificial Intelligence for Science in Quantum, Atomistic, and Continuum Systems. - Xuan Zhang; Limei Wang; Jacob Helwig; Youzhi Luo; Cong Fu 003; Yaochen Xie; Meng Liu 015; Yuchao Lin; Zhao Xu 005; Keqiang Yan; Keir Adams; Maurice Weiler; et al. (Found. Trends Mach. Learn., 2025)

A Materials Foundation Model via Hybrid Invariant-Equivariant Architectures. - Keqiang Yan; Montgomery Bohde; Andrii Kryvenko; Ziyu Xiang; Kaiji Zhao; Siya Zhu; Saagar Kolachina; Doguhan Saritürk; Jianwen Xie; Raymundo Arróyave; Xiaoning Qian; Xiaofeng Qian; et al. (CoRR, 2025)

Toward Greater Autonomy in Materials Discovery Agents: Unifying Planning, Physics, and Scientists. - Lianhao Zhou; Hongyi Ling; Keqiang Yan; Kaiji Zhao; Xiaoning Qian; Raymundo Arróyave; Xiaofeng Qian; Shuiwang Ji (CoRR, 2025)