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 non-destructive, label-free molecular characterization across materials science, biomedicine and process monitoring. Predictive Raman datasets often cont…
cs.LG2026
Do Larger Models Really Win in Drug Discovery? A Benchmark Assessment of Model Scaling in AI-Driven Molecular Property and Activity Prediction
Jinjiang Guo, Sheng Ding
The rapid growth of molecular foundation models and large language models (LLMs) has encouraged a scale centred view of AI in drug discovery, in which larger pretrained models are…