2 papers
q-bio.BM2026
Training a force field for proteins and small molecules from scratch
Alexandre Blanco-González, Thea K Schulze, Evianne Rovers +1
Force fields for molecular dynamics are usually developed manually, limiting their transferability and making systematic exploration of functional forms challenging. We developed a…
cs.LG2025
MixMin: Finding Data Mixtures via Convex Minimization
Anvith Thudi, Evianne Rovers, Yangjun Ruan +2
Modern machine learning pipelines are increasingly combining and mixing data from diverse and disparate sources, e.g., pre-training large language models. Yet, finding the optimal…