2 papers
cs.LG2026
Atom-JEPA: Joint-Embedding Predictive Architecture for 3D Atomistic Systems
Kasper Helverskov Petersen, Rasmus Hannibal Tirsgaard, François R J Cornet +2
Large-scale self-supervised pretraining has reshaped modern machine learning, substantially advancing the ability of language and vision models to generalize across downstream task…
cs.LG2026
Semi-Supervised Learning for Molecular Graphs via Ensemble Consensus
Rasmus Tirsgaard, Laurits Fredsgaard, Marisa Wodrich +2
Machine learning is transforming molecular sciences by accelerating property prediction, simulation, and the discovery of new molecules and materials. Acquiring labeled data in the…