Guo, Kehan

7 publications

NeurIPS 2025 AdaReasoner: Adaptive Reasoning Enables More Flexible Thinking Xiangqi Wang, Yue Huang, Yanbo Wang, Xiaonan Luo, Kehan Guo, Yujun Zhou, Xiangliang Zhang

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

NeurIPS 2025 ChemOrch: Empowering LLMs with Chemical Intelligence via Groundbreaking Synthetic Instructions Yue Huang, Zhengzhe Jiang, Xiaonan Luo, Kehan Guo, Haomin Zhuang, Yujun Zhou, Zhengqing Yuan, Xiaoqi Sun, Jules Schleinitz, Yanbo Wang, Shuhao Zhang, Mihir Surve, Nitesh V Chawla, Olaf Wiest, Xiangliang Zhang

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

AAAI 2024 Uncertainty-Aware Yield Prediction with Multimodal Molecular Features Jiayuan Chen, Kehan Guo, Zhen Liu, Olexandr Isayev, Xiangliang Zhang

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

NeurIPS 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 Chawla, Olaf Wiest, Xiangliang Zhang