Multi-modal and multi-resolution integration in a single model

Ascertain whether a single physics-aware molecular foundation model can jointly handle small molecules, proteins, nucleic acids, and materials across multiple resolutions—including quantum mechanics, all-atom, and coarse-grained representations—and determine architectures and training regimes to enable such integration.

Background

Molecular data are heterogeneous across chemical classes and resolutions, spanning QM-level electronic detail, all-atom simulations, and coarse-grained models. The paper explicitly questions whether a single foundation model can unify these modalities and resolutions without losing physical consistency.

Achieving this would require architectures and training strategies that respect symmetries, conservation laws, and scale-dependent behaviors while transferring knowledge across domains.