3 papers
cs.CL2026
A Large-Scale Dataset for Molecular Structure-Language Description via a Rule-Regularized Method
Feiyang Cai, Guijuan He, Yi Hu +7
Molecular function is largely determined by structure. Accurately aligning molecular structure with natural language is therefore essential for enabling large language models (LLMs…
cond-mat.soft2024
Physically Constrained 3D Diffusion for Inverse Design of Fiber-reinforced Polymer Composite Materials
Pei Xu, Yunpeng Wu, Srikanth Pilla +2
Designing fiber-reinforced polymer composites (FRPCs) with a tailored nonlinear stress-strain response can enable innovative applications across various industries. Currently, no e…
cs.CE2024
ChemFM as a Scaling Law Guided Foundation Model Pre-trained on Informative Chemicals
Feiyang Cai, Katelin Zacour, Tianyu Zhu +6
Traditional AI methods often rely on task-specific model designs and training, which constrain both the scalability of model size and generalization across different tasks. Here, w…