Compositional Mathematical Encoding for Math Word Problems. - Zhenwen Liang; Jipeng Zhang; Kehan Guo; Xiaodong Wu; Jie Shao 001; Xiangliang Zhang 001 (ACL (Findings), 2023)

Graph-based Molecular Representation Learning. - Zhichun Guo; Kehan Guo; Bozhao Nan; Yijun Tian 001; Roshni G. Iyer; Yihong Ma; Olaf Wiest; Xiangliang Zhang 001; Wei Wang 010; Chuxu Zhang; Nitesh V. Chawla (IJCAI, 2023)

What can Large Language Models do in chemistry? A comprehensive benchmark on eight tasks. - Taicheng Guo; Kehan Guo; Bozhao Nan; Zhenwen Liang; Zhichun Guo; Nitesh V. Chawla; Olaf Wiest; Xiangliang Zhang 001 (NeurIPS, 2023)

What indeed can GPT models do in chemistry? A comprehensive benchmark on eight tasks. - Taicheng Guo; Kehan Guo; Bozhao Nan; Zhengwen Liang; Zhichun Guo; Nitesh V. Chawla; Olaf Wiest; Xiangliang Zhang 001 (CoRR, 2023)

Modeling non-uniform uncertainty in Reaction Prediction via Boosting and Dropout. - Taicheng Guo; Changsheng Ma; Xiuying Chen; Bozhao Nan; Kehan Guo; Shichao Pei; Nitesh V. Chawla; Olaf Wiest; Xiangliang Zhang 001 (CoRR, 2023)

Uncertainty-Aware Yield Prediction with Multimodal Molecular Features. - Jiayuan Chen 003; Kehan Guo; Zhen Liu; Olexandr Isayev; Xiangliang Zhang 001 (AAAI, 2024)

SceMQA: A Scientific College Entrance Level Multimodal Question Answering Benchmark. - Zhenwen Liang; Kehan Guo; Gang Liu; Taicheng Guo; Yujun Zhou 002; Tianyu Yang; Jiajun Jiao; Renjie Pi; Jipeng Zhang; Xiangliang Zhang 001 (ACL (Short Papers), 2024)

Defending Jailbreak Prompts via In-Context Adversarial Game. - Yujun Zhou 002; Yufei Han 001; Haomin Zhuang; Kehan Guo; Zhenwen Liang; Hongyan Bao; Xiangliang Zhang 001 (EMNLP, 2024)

Can LLMs Solve Molecule Puzzles? A Multimodal Benchmark for Molecular Structure Elucidation. - Kehan Guo; Bozhao Nan; Yujun Zhou 002; Taicheng Guo; Zhichun Guo; Mihir Surve; Zhenwen Liang; Nitesh V. Chawla; Olaf Wiest; Xiangliang Zhang 001 (NeurIPS, 2024)

Defending Jailbreak Prompts via In-Context Adversarial Game. - Yujun Zhou 002; Yufei Han 001; Haomin Zhuang; Taicheng Guo; Kehan Guo; Zhenwen Liang; Hongyan Bao; Xiangliang Zhang 001 (CoRR, 2024)

ScholarChemQA: Unveiling the Power of Language Models in Chemical Research Question Answering. - Xiuying Chen; Tairan Wang; Taicheng Guo; Kehan Guo; Juexiao Zhou; Haoyang Li; Mingchen Zhuge; Jürgen Schmidhuber; Xin Gao 001; Xiangliang Zhang 001 (CoRR, 2024)

LabSafety Bench: Benchmarking LLMs on Safety Issues in Scientific Labs. - Yujun Zhou 002; Jingdong Yang; Kehan Guo; Pin-Yu Chen; Tian Gao; Werner Geyer; Nuno Moniz; Nitesh V. Chawla; Xiangliang Zhang 001 (CoRR, 2024)

Social Science Meets LLMs: How Reliable Are Large Language Models in Social Simulations? - Yue Huang 001; Zhengqing Yuan; Yujun Zhou 002; Kehan Guo; Xiangqi Wang; Haomin Zhuang; Weixiang Sun; Lichao Sun 001; Jindong Wang 001; Yanfang Ye 001; Xiangliang Zhang 001 (CoRR, 2024)

UOE: Unlearning One Expert Is Enough For Mixture-of-experts LLMS. - Haomin Zhuang; Yihua Zhang; Kehan Guo; Jinghan Jia; Gaowen Liu; Sijia Liu 001; Xiangliang Zhang 001 (CoRR, 2024)

Beyond Single-Value Metrics: Evaluating and Enhancing LLM Unlearning with Cognitive Diagnosis. - Yicheng Lang; Kehan Guo; Yue Huang 001; Yujun Zhou 010; Haomin Zhuang; Tianyu Yang; Yao Su 003; Xiangliang Zhang 001 (ACL (Findings), 2025)

SEUF: Is Unlearning One Expert Enough for Mixture-of-Experts LLMs? - Haomin Zhuang; Yihua Zhang; Kehan Guo; Jinghan Jia; Gaowen Liu; Sijia Liu 001; Xiangliang Zhang 001 (ACL (1), 2025)

Position: We Need An Adaptive Interpretation of Helpful, Honest, and Harmless Principles. - Yue Huang 001; Chujie Gao; Yujun Zhou 002; Kehan Guo; Xiangqi Wang; Or Cohen-Sasson; Max Lamparth; Xiangliang Zhang 001 (CoRR, 2025)

Artificial Intelligence in Spectroscopy: Advancing Chemistry from Prediction to Generation and Beyond. - Kehan Guo; Yili Shen; Gisela Abigail Gonzalez-Montiel; Yue Huang 001; Yujun Zhou 002; Mihir Surve; Zhichun Guo; Prayel Das; Nitesh V. Chawla; Olaf Wiest; Xiangliang Zhang 001 (CoRR, 2025)

Beyond Single-Value Metrics: Evaluating and Enhancing LLM Unlearning with Cognitive Diagnosis. - Yicheng Lang; Kehan Guo; Yue Huang 001; Yujun Zhou 002; Haomin Zhuang; Tianyu Yang; Yao Su 003; Xiangliang Zhang 001 (CoRR, 2025)

On the Trustworthiness of Generative Foundation Models: Guideline, Assessment, and Perspective. - Yue Huang 001; Chujie Gao; Siyuan Wu 001; Haoran Wang 005; Xiangqi Wang; Yujun Zhou 010; Yanbo Wang 005; Jiayi Ye; Jiawen Shi; Qihui Zhang; Yuan Li 032; Han Bao 003; et al. (CoRR, 2025)

AdaReasoner: Adaptive Reasoning Enables More Flexible Thinking. - Xiangqi Wang; Yue Huang 001; Yanbo Wang 005; Xiaonan Luo; Kehan Guo; Yujun Zhou 010; Xiangliang Zhang 001 (CoRR, 2025)

Dissecting Logical Reasoning in LLMs: A Fine-Grained Evaluation and Supervision Study. - Yujun Zhou 002; Jiayi Ye; Zipeng Ling; Yufei Han 001; Yue Huang 001; Haomin Zhuang; Zhenwen Liang; Kehan Guo; Taicheng Guo; Xiangqi Wang; Xiangliang Zhang 001 (CoRR, 2025)