Xiner Li

Dynamic Search for Inference-Time Alignment in Diffusion Models

Xiner Li*, Masatoshi Uehara*, Xingyu Su, Gabriele Scalia, Tommaso Biancalani, Aviv Regev, Sergey Levine, Shuiwang Ji

arXiv preprint arXiv:2503.02039

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Inference-Time Alignment in Diffusion Models with Reward-Guided Generation: Tutorial and Review

Masatoshi Uehara, Yulai Zhao, Chenyu Wang, Xiner Li, Aviv Regev, Sergey Levine, Tommaso Biancalani

arXiv preprint arXiv:2501.09685

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Discovering Physics Laws of Dynamical Systems via Invariant Function Learning

Shurui Gui, Xiner Li, Shuiwang Ji

Forty-second International Conference on Machine Learning (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

Forty-second International Conference on Machine Learning (ICML 2025)

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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

Forty-second International Conference on Machine Learning (ICML 2025)

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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

The Thirteenth International Conference on Learning Representations (ICLR 2025)

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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

The Thirteenth International Conference on Learning Representations (ICLR 2025)

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Derivative-Free Guidance in Continuous and Discrete Diffusion Models with Soft Value-Based Decoding

Xiner Li, Yulai Zhao, Chenyu Wang, Gabriele Scalia, Gokcen Eraslan, Surag Nair, Tommaso Biancalani, Aviv Regev, Sergey Levine, Masatoshi Uehara

NeurIPS 2024 AI for New Drug Modalities

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A Hierarchical Language Model for Interpretable Graph Reasoning

Sambhav Khurana*, Xiner Li*, Shurui Gui, Shuiwang Ji

arXiv preprint arXiv:2410.22372

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

Advances in Neural Information Processing Systems 37 (NeurIPS 2024)

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Graph Structure and Feature Extrapolation for Out-of-Distribution Generalization

Xiner Li, Shurui Gui, Youzhi Luo, Shuiwang Ji

Forty-first International Conference on Machine Learning (ICML 2024)

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

Forty-first International Conference on Machine Learning (ICML 2024)

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Active Test-Time Adaptation: Theoretical Analyses and An Algorithm

Shurui Gui*, Xiner Li*, Shuiwang Ji

The Twelfth International Conference on Learning Representations (ICLR 2024)

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Joint Learning of Label and Environment Causal Independence for Graph Out-of-Distribution Generalization

Shurui Gui, Meng Liu, Xiner Li, Youzhi Luo, Shuiwang Ji

Advances in Neural Information Processing Systems 36 (NeurIPS 2023)

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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, 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 Bekkers, Michael Bronstein, Marinka Zitnik, Anima Anandkumar, Stefano Ermon, Pietro Liò, Rose Yu, Stephan Günnemann, Jure Leskovec, Heng Ji, Jimeng Sun, Regina Barzilay, Tommi Jaakkola, Connor W Coley, Xiaoning Qian, Xiaofeng Qian, Tess Smidt, Shuiwang Ji

Foundations and Trends in Machine Learning (2023 Journal Impact Factor 65.3)

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GOOD: A Graph Out-of-Distribution Benchmark

Shurui Gui*, Xiner Li*, Limei Wang, Shuiwang Ji

Neural Information Processing Systems 35 (NeurIPS 2022) Datasets and Benchmarks Track

Paper Code Documentation

Keyword Search Based on Unsupervised Pre-Trained Acoustic Models

Xiner Li, Jing Zhao, Wei-Qiang Zhang, Zhiqiang Lv, Shen Huang

International Journal of Asian Language Processing, 2021

Dynamic 3D point cloud streaming: Distortion and concealment

Cheng-Hao Wu, Xiner Li, Rahul Rajesh, Wei Tsang Ooi, Cheng-Hsin Hsu

Network and Operating Systems Support for Digital Audio and Video (NOSSDAV), 2021