1 citations · 1 across the 2 of their papers we have counts for
4 papers
Stress-testing large language model agents in a robotic chemistry laboratory
Lulu Guo, Yingkai Sun, Xiaobo Li +13
AI is evaluated through knowledge, reasoning and plan generation, yet scientific agency requires reliable physical action and adaptation to evidence. Here, we use a robotic chemist…
Language models guide symbolic equation discovery by controlling search
Zikai Xie, Wenmei Li, Man Luo +2
Scientific equation discovery must combine broad domain priors with strict numerical testing. Symbolic regression supplies numerical grounding but faces a combinatorial search spac…
Learning Dipole Moments and Polarizabilities
Yaolong Zhang, Jun Jiang, Bin Jiang
Machine learning of scalar molecular properties such as potential energy has enabled widespread applications. However, there are relatively few machine learning models targeting di…
Efficient and Accurate Simulations of Vibrational and Electronic Spectra with Symmetry-Preserving Neural Network Models for Tensorial Properties
Yaolong Zhang, Sheng Ye, Jinxiao Zhang +3
Machine learning has revolutionized the high-dimensional representations for molecular properties such as potential energy. However, there are scarce machine learning models target…