Exascale Multi-Task Graph Foundation Models for Imbalanced, Multi-Fidelity Atomistic Data

arXiv:2604.15380v1 Announce Type: cross Abstract: We present an exascale workflow for materials discovery using atomistic graph foundation models built on HydraGNN. We jointly train on 16 open first-principles datasets (544+ million structures covering 85+ elements) using a multi-task architecture...