Guo, Kehan

1. Evaluating Large Language Models in Scientific Discovery
   2025/12/17 by Zhangde Song, Song, Zhangde, Jieyu Lu +109 · 18 voices · 2 citations
   Materials Science · Medicine · Social Sciences · #Machine Learning in Materials Science #Artificial Intelligence in Healthcare and Education #Computational and Text Analysis Methods
2. What can Large Language Models do in chemistry? A comprehensive benchmark on eight tasks
   2023/05/27 by Taicheng Guo, Kehan Guo, Guo, Taicheng +12 · 33 citations
   Computer Science · Materials Science · #Artificial Intelligence (cs.AI) #Computation and Language (cs.CL) #FOS: Computer and information sciences #Machine Learning in Materials Science #Topic Modeling
3. Graph-based Molecular Representation Learning
   2022/07/08 by Zhichun Guo, Kehan Guo, Guo, Zhichun +19 · 5 citations
   Chemistry · Computer Science · Materials Science · #Computational Drug Discovery Methods #FOS: Biological sciences #FOS: Computer and information sciences #Machine Learning (cs.LG) #Machine Learning in Materials Science #Quantitative Methods (q-bio.QM) #Various Chemistry Research Topics
4. SceMQA: A Scientific College Entrance Level Multimodal Question Answering Benchmark
   2024/02/06 by Zhenwen Liang, Liang, Zhenwen, Kehan Guo +17 · 7 citations
   Computer Science · Psychology · Social Sciences · #Artificial Intelligence (cs.AI) #Computation and Language (cs.CL) #Educational Technology and Assessment #FOS: Computer and information sciences #Innovative Teaching and Learning Methods #Online and Blended Learning
5. Defending Jailbreak Prompts via In-Context Adversarial Game
   2024/02/20 by Yujun Zhou, Zhou, Yujun, Yufei Han +11 · 5 citations
   Computer Science · #Advanced Malware Detection Techniques #Adversarial Robustness in Machine Learning #Cryptography and Security (cs.CR) #Digital and Cyber Forensics #FOS: Computer and information sciences #Machine Learning (cs.LG)
6. Social Science Meets LLMs: How Reliable Are Large Language Models in Social Simulations?
   2024/10/30 by Yue Huang, Huang, Yue, Zhengqing Yuan +19 · 5 citations
   Social Sciences · #Artificial Intelligence in Law
7. On the Trustworthiness of Generative Foundation Models: Guideline, Assessment, and Perspective
   2025/02/20 by Huang, Yue, Gao, Chujie, Wu, Siyuan +63 · 8 citations
   #Computers and Society (cs.CY) #FOS: Computer and information sciences
8. Artificial Intelligence in Spectroscopy: Advancing Chemistry from Prediction to Generation and Beyond
   2025/02/14 by Kehan Guo, Guo, Kehan, Yili Shen +18 · 3 citations
   Biochemistry, Genetics and Molecular Biology · Chemistry · Environmental Science · #Artificial Intelligence (cs.AI) #FOS: Computer and information sciences #Machine Learning (cs.LG) #Metabolomics and Mass Spectrometry Studies #Various Chemistry Research Topics #Water Quality Monitoring and Analysis
9. SEUF: Is Unlearning One Expert Enough for Mixture-of-Experts LLMs?
   2024/11/27 by Haomin Zhuang, Yihua Zhang, Zhuang, Haomin +10 · 3 citations
   Computer Science · #Artificial Intelligence (cs.AI) #Computation and Language (cs.CL) #FOS: Computer and information sciences #Machine Learning (cs.LG) #Semantic Web and Ontologies
10. Dissecting Logical Reasoning in LLMs: A Fine-Grained Evaluation and Supervision Study
    2025/06/05 by Yujun Zhou, Zhou, Yujun, Jane J. Ye +18 · 5 citations
    Computer Science · #Topic Modeling #Natural Language Processing Techniques #Multimodal Machine Learning Applications
11. LabSafety Bench: Benchmarking LLMs on Safety Issues in Scientific Labs
    2024/10/18 by Zhou, Yujun, Yang, Jingdong, Huang, Yue +12 · 2 citations
    #Computation and Language (cs.CL) #FOS: Computer and information sciences #Machine Learning (cs.LG)
12. AdaReasoner: Adaptive Reasoning Enables More Flexible Thinking in Large Language Models
    2025/05/22 by Wang, Xiangqi, Huang, Yue, Wang, Yanbo +4 · 4 citations
    #Artificial Intelligence (cs.AI) #FOS: Computer and information sciences #Machine Learning (cs.LG)
13. Prioritization First, Principles Second: An Adaptive Interpretation of Helpful, Honest, and Harmless Principles
    2025/02/09 by Yue Huang, Huang, Yue, Chujie Gao +14 · 1 voice · 2 citations
    Computer Science · Social Sciences · #Adversarial Robustness in Machine Learning #Ethics and Social Impacts of AI #Explainable Artificial Intelligence (XAI) #cs.CY
14. Beyond Single-Value Metrics: Evaluating and Enhancing LLM Unlearning with Cognitive Diagnosis
    2025/02/19 by Yicheng Lang, Lang, Yicheng, Kehan Guo +13 · 2 citations
    Computer Science · #FOS: Computer and information sciences #Machine Learning (cs.LG) #Text Readability and Simplification