Gerstein, Mark
10 publications
ICLR
2025
ChemAgent: Self-Updating Memories in Large Language Models Improves Chemical Reasoning
Xiangru Tang, Tianyu Hu, Muyang Ye, Yanjun Shao, Xunjian Yin, Siru Ouyang, Wangchunshu Zhou, Pan Lu, Zhuosheng Zhang, Yilun Zhao, Arman Cohan, Mark Gerstein NeurIPS
2025
E2Former: An Efficient and Equivariant Transformer with Linear-Scaling Tensor Products
Yunyang Li, Lin Huang, Zhihao Ding, Xinran Wei, Chu Wang, Han Yang, Zun Wang, Chang Liu, Yu Shi, Peiran Jin, Tao Qin, Mark Gerstein, Jia Zhang ICLR
2025
Enhancing the Scalability and Applicability of Kohn-Sham Hamiltonians for Molecular Systems
Yunyang Li, Zaishuo Xia, Lin Huang, Xinran Wei, Samuel Harshe, Han Yang, Erpai Luo, Zun Wang, Jia Zhang, Chang Liu, Bin Shao, Mark Gerstein ICLRW
2025
ML-Bench: Evaluating Large Language Models and Agents for Machine Learning Tasks on Repository-Level Code
Xiangru Tang, Yuliang Liu, Zefan Cai, Daniel Shao, Junjie Lu, Yichi Zhang, Zexuan Deng, Helan Hu, Kaikai An, Ruijun Huang, Shuzheng Si, Chen Sheng, Haozhe Zhao, Liang Chen, Tianyu Liu, Yujia Qin, Wangchunshu Zhou, Yilun Zhao, Zhiwei Jiang, Baobao Chang, Arman Cohan, Mark Gerstein ICLRW
2024
Prioritizing Safeguarding over Autonomy: Risks of LLM Agents for Science
Xiangru Tang, Qiao Jin, Kunlun Zhu, Tongxin Yuan, Yichi Zhang, Wangchunshu Zhou, Meng Qu, Yilun Zhao, Jian Tang, Zhuosheng Zhang, Arman Cohan, Zhiyong Lu, Mark Gerstein ICLR
2024
ToolLLM: Facilitating Large Language Models to Master 16000+ Real-World APIs
Yujia Qin, Shihao Liang, Yining Ye, Kunlun Zhu, Lan Yan, Yaxi Lu, Yankai Lin, Xin Cong, Xiangru Tang, Bill Qian, Sihan Zhao, Lauren Hong, Runchu Tian, Ruobing Xie, Jie Zhou, Mark Gerstein, Dahai Li, Zhiyuan Liu, Maosong Sun