I am a Ph.D. candidate in Computing at The Hong Kong Polytechnic University and a visiting scholar at the National University of Singapore. My research focuses on reliable language models for molecular reasoning and scientific discovery.
CCF tags follow my maintained CV bibliography. IF tags show the latest publisher-listed Journal Impact Factor available when this page was updated.
Jiatong Li, Yuxuan Ren, Weida Wang, Xiaoyong Wei, and Yatao Bian. (2026). Chemical Chain-of-Thought Functions as a Hallucination-Prone Molecular Scratchpad. arXiv:2607.20935.
Qi Peng, Jiatong Li, Sirui Huang, Yiyang Jiang, Kaisong Gong, Ronger Ding, Shijie Ye, Changmeng Zheng, Yi Cai, Xiaobo Yang, Jin Huang, Xiao-Yong Wei, and Qing Li. (2026). Aligning Clinical Needs and AI Capabilities: A Survey on LLMs for Medical Reasoning. Machine Intelligence Research.
Jiatong Li, Weida Wang, Changmeng Zheng, Shufei Zhang, Yatao Bian, Xiao-yong Wei, and Qing Li. (2026). Do LLMs Truly Generalize in the Molecular Domain? A Perturbation-Based Analysis. arXiv:2607.01800.
Jiatong Li*, Yuxuan Ren, Weida Wang, Changmeng Zheng, Xiao-yong Wei, Qing Li, and Yatao Bian. (2026). MolViBench: Evaluating LLMs on Molecular Vibe Coding. arXiv preprint arXiv:2605.02351.
Weida Wang, Benteng Chen, Di Zhang, Wanhao Liu, Shuchen Pu, Ben Gao, Jin Zeng, Xiaoyong Wei, Tianshu Yu, Shuzhou Sun, Tianfan Fu, Wanli Ouyang, Lei Bai, Jiatong Li, Zifu Wang, Yuqiang Li, Shufei Zhang. (2026). Chem-R: Learning to Reason as a Chemist. KDD 2026.
Jiatong Li*, Junxian Li*, Yunqing Liu, Dongzhan Zhou, and Qing Li. (2026). Speak-to-Structure: Evaluating LLMs in Open-domain Natural Language-Driven Molecule Generation. KDD 2026.
Jiatong Li, Yunqing Liu, Wei Liu, Jingdi Le, Di Zhang, Wenqi Fan, Dongzhan Zhou, Yuqiang Li, and Qing Li. (2026). MolReFlect: Towards In-Context Fine-grained Alignments between Molecules and Texts. IEEE TKDE.
Junxian Li, Beining Xu, Simin Chen, Jiatong Li, Jingdi Lei, Haodong Zhao, and Di Zhang. (2026). IAG: Input-Aware Backdoor Attack on VLM-Based Visual Grounding. CVPR 2026.
Weida Wang*, Dongchen Huang*, Jiatong Li*, Tengchao Yang, Ziyang Zheng, Di Zhang, Dong Han et al. (2026). CMPhysBench: A Benchmark for Evaluating Large Language Models in Condensed Matter Physics. ICLR 2026. (Co-First Author)
Jiatong Li, Weida Wang*, Qinggang Zhang, Junxian Li, Di Zhang, Changmeng Zheng, Shufei Zhang, Xiaoyong Wei, and Qing Li. (2025). Mol-R1: Towards Explicit Long-CoT Reasoning in Molecule Discovery. arXiv preprint arXiv:2508.08401.
Di Zhang, Jingdi Lei, Junxian Li, Xunzhi Wang, Yujie Liu, Zonglin Yang, Jiatong Li, Weida Wang, Suorong Yang, Jianbo Wu, Peng Ye, Wanli Ouyang, Dongzhan Zhou. (2025). Critic-V: VLM Critics Help Catch VLM Errors in Multimodal Reasoning. CVPR 2025.
Di Zhang, Jianbo Wu, Jingdi Lei, Tong Che, Jiatong Li, Tong Xie, Xiaoshui Huang, Shufei Zhang, Marco Pavone, Yuqiang Li, Wanli Ouyang, Dongzhan Zhou. (2025). Llama-Berry: Pairwise Optimization for O1-like Olympiad-Level Mathematical Reasoning. NAACL 2025.
Jiatong Li, Wei Liu, Zhihao Ding, Wenqi Fan, Yuqiang Li, Qing Li. (2025). Large Language Models are In-Context Molecule Learners. IEEE TKDE.
Qinghua Mao, Jiatong Li, Kui Meng, Yuanyuan Sun, Pengjiao Wang, Jianhua Li. (2025). Search Engine Augmented Chinese Named Entity Recognition for Big Data Content Security. CBDCom 2025.
Jiatong Li, Yunqing Liu, Wenqi Fan, Xiao-yong Wei, Hui Liu, Jiliang Tang, and Qing Li. (2024). Empowering Molecule Discovery for Molecule-Caption Translation with Large Language Models: A ChatGPT Perspective. IEEE TKDE.
Wenqi Fan, Zihuai Zhao, Jiatong Li, Yunqing Liu, Xiaowei Mei, Yiqi Wang, Jiliang Tang, and Qing Li. (2024). Recommender Systems in the Era of Large Language Models (LLMs). IEEE TKDE.
Di Zhang, Wei Liu, Qian Tan, Jingdan Chen, Hang Yan, Yuliang Yan, Jiatong Li, Weiran Huang, Xiangyu Yue, Wanli Ouyang, Dongzhan Zhou, Shufei Zhang, Mao Su, Han-Sen Zhong, Yuqiang Li. (2024). Chemllm: A chemical large language model. arXiv preprint arXiv:2402.06852.
Lin Wang, Wenqi Fan, Jiatong Li, Yao Ma, and Qing Li. (2023). Fast graph condensation with structure-based neural tangent kernel. arXiv preprint arXiv:2310.11046. (Accepted by WWW 24)
Jiatong Li, Kui Meng. (2024). MFE-NER: Multi-feature Fusion Embedding for Chinese Named Entity Recognition. In Proceedings of the 23rd Chinese National Conference on Computational Linguistics (Volume 1: Main Conference) (pp. 1112-1122). CCL 2024.
Lea Ferrmann, Jiatong Li, Shima Khanehzar, Gosia Mikolajczak. (2023). Conflicts, Villains, Resolutions: Towards models of Narrative Media Framing. ACL 2023.
Wenqi Fan, Chengyi Liu, Yunqing Liu, Jiatong Li, Hang Li, Hui Liu, Jiliang Tang, Qing Li. (2023). Generative Diffusion Models on Graphs: Methods and Applications. IJCAI 2023.
Mao, Q., Li, J., & Meng, K. (2022). Improving Chinese Named Entity Recognition by Search Engine Augmentation. arXiv preprint arXiv:2210.12662.
Li, J., He, B., & Mi, F. (2022). Exploring Effective Information Utilization in Multi-Turn Topic-Driven Conversations. arXiv preprint arXiv:2209.00250.
Zhao, C. W., Yang, J., & Li, J. (2021). Generation of hospital emergency department layouts based on generative adversarial networks. Journal of Building Engineering, 43, 102539.
Zhao, C., Yang, J., Xiong, W., & Li, J. (2021). Two generative design methods of hospital operating department layouts based on healthcare systematic layout planning and generative adversarial network. Journal of Shanghai Jiaotong University (Science), 26, 103-115.
Teaching Assistant at The Hong Kong Polytechnic University: