2 papers
cs.LG2026
RamanPFN: learning from Raman spectral structure with a tabular foundation model
Xingyu Pan, Huan Wang, Jinjia Guo +3
Raman spectroscopy enables label-free molecular characterization across materials science, analytical chemistry, biomedicine, and industrial process monitoring. However, machine le…
cs.LG2026
Chem World: A Large-Scale Benchmark and Physics-Informed Framework for Trustworthy Chemical Property Prediction
Tianyou Bai, Huan Wang, Mingchen Gao +4
Chemical property prediction plays a critical role in accelerating scientific discovery in chemistry, materials science, and drug development. However, existing benchmarks often su…