Li, Xiner

17 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 Derivative-Free Guidance in Continuous and Discrete Diffusion Models with Soft Value-Based Decoding Xiner Li, Yulai Zhao, Chenyu Wang, Gabriele Scalia, Gökcen Eraslan, Surag Nair, Tommaso Biancalani, Shuiwang Ji, Aviv Regev, Sergey Levine, Masatoshi Uehara

ICML 2025 Discovering Physics Laws of Dynamical Systems via Invariant Function Learning Shurui Gui, Xiner Li, Shuiwang Ji

ICLR 2025 Eliminating Position Bias of Language Models: A Mechanistic Approach Ziqi Wang, Hanlin Zhang, Xiner Li, Kuan-Hao Huang, Chi Han, Shuiwang Ji, Sham M. Kakade, Hao Peng, Heng Ji

ICLR 2025 Fragment and Geometry Aware Tokenization of Molecules for Structure-Based Drug Design Using Language Models Cong Fu, Xiner Li, Blake Olson, Heng Ji, Shuiwang Ji

ICML 2025 Geometry Informed Tokenization of Molecules for Language Model Generation Xiner Li, Limei Wang, Youzhi Luo, Carl Edwards, Shurui Gui, Yuchao Lin, Heng Ji, Shuiwang Ji

TMLR 2025 Hierarchical Language Model Design for Interpretable Graph Reasoning Sambhav Khurana, Xiner Li, Shurui Gui, Shuiwang Ji

TMLR 2025 Language Models for Controllable DNA Sequence Design Xingyu Su, Xiner Li, Yuchao Lin, Ziqian Xie, Degui Zhi, Shuiwang Ji

ICML 2025 Reward-Guided Iterative Refinement in Diffusion Models at Test-Time with Applications to Protein and DNA Design Masatoshi Uehara, Xingyu Su, Yulai Zhao, Xiner Li, Aviv Regev, Shuiwang Ji, Sergey Levine, Tommaso Biancalani

ICLR 2024 Active Test-Time Adaptation: Theoretical Analyses and an Algorithm Shurui Gui, Xiner Li, Shuiwang Ji

NeurIPSW 2024 Derivative-Free Guidance in Continuous and Discrete Diffusion Models with Soft Value-Based Decoding Xiner Li, Yulai Zhao, Chenyu Wang, Gabriele Scalia, Gökcen Eraslan, Surag Nair, Tommaso Biancalani, Shuiwang Ji, Aviv Regev, Sergey Levine, Masatoshi Uehara

NeurIPSW 2024 Eliminating Position Bias of Language Models: A Mechanistic Approach Ziqi Wang, Hanlin Zhang, Xiner Li, Kuan-Hao Huang, Chi Han, Shuiwang Ji, Sham M. Kakade, Hao Peng, Heng Ji

ICML 2024 Graph Structure Extrapolation for Out-of-Distribution Generalization Xiner Li, Shurui Gui, Youzhi Luo, 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 2024 Position: TrustLLM: Trustworthiness in Large Language Models Yue Huang, Lichao Sun, Haoran Wang, Siyuan Wu, Qihui Zhang, Yuan Li, Chujie Gao, Yixin Huang, Wenhan Lyu, Yixuan Zhang, Xiner Li, Hanchi Sun, Zhengliang Liu, Yixin Liu, Yijue Wang, Zhikun Zhang, Bertie Vidgen, Bhavya Kailkhura, Caiming Xiong, Chaowei Xiao, Chunyuan Li, Eric P. Xing, Furong Huang, Hao Liu, Heng Ji, Hongyi Wang, Huan Zhang, Huaxiu Yao, Manolis Kellis, Marinka Zitnik, Meng Jiang, Mohit Bansal, James Zou, Jian Pei, Jian Liu, Jianfeng Gao, Jiawei Han, Jieyu Zhao, Jiliang Tang, Jindong Wang, Joaquin Vanschoren, John Mitchell, Kai Shu, Kaidi Xu, Kai-Wei Chang, Lifang He, Lifu Huang, Michael Backes, Neil Zhenqiang Gong, Philip S. Yu, Pin-Yu Chen, Quanquan Gu, Ran Xu, Rex Ying, Shuiwang Ji, Suman Jana, Tianlong Chen, Tianming Liu, Tianyi Zhou, William Yang Wang, Xiang Li, Xiangliang Zhang, Xiao Wang, Xing Xie, Xun Chen, Xuyu Wang, Yan Liu, Yanfang Ye, Yinzhi Cao, Yong Chen, Yue Zhao

NeurIPS 2023 Joint Learning of Label and Environment Causal Independence for Graph Out-of-Distribution Generalization Shurui Gui, Meng Liu, Xiner Li, Youzhi Luo, Shuiwang Ji

NeurIPS 2022 GOOD: A Graph Out-of-Distribution Benchmark Shurui Gui, Xiner Li, Limei Wang, Shuiwang Ji