Showing cs.CEShow all
2 papers · 1 filter
cs.CE2025
Chem3DLLM: 3D Multimodal Large Language Models for Chemistry
Lei Jiang, Shuzhou Sun, Biqing Qi +5
In the real world, a molecule is a 3D geometric structure. Compared to 1D SMILES sequences and 2D molecular graphs, 3D molecules represent the most informative molecular modality.…
cs.CE2025
MLLM-based Discovery of Intrinsic Coordinates and Governing Equations from High-Dimensional Data
Ruikun Li, Yan Lu, Shixiang Tang +2
Discovering governing equations from scientific data is crucial for understanding the evolution of systems, and is typically framed as a search problem within a candidate equation…