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cs.LG2026
When Riemann flows with Wasserstein: Generative Modeling of Probability Distributions on Manifolds
Doron Haviv, Edward De Brouwer, Rishabh Anand +4
Many scientific datasets, such as molecular conformational ensembles or single-cell tissue measurements, are naturally modeled as meta-distributions: distributions over probability…
cs.LG2026
Zatom-1: Towards a Multimodal Foundation Model for 3D Molecules and Materials
Alex Morehead, Miruna Cretu, Antonia Panescu +14
General-purpose 3D modeling in chemistry encompasses molecules and materials, requiring both generative and predictive capabilities. However, most existing AI approaches are optimi…