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OMatG-flash: An All-Atom Flow Map with Reinforce Adjoint Matching for Scalable Materials Discovery

arXiv · AI, language, vision and robotics · article · Sep 22, 2026 · UTC

The discovery of novel inorganic materials drives technological breakthroughs in critical fields such as computing and energy storage. Generative AI has promised to accelerate the materials discovery pipeline, but state-of-the-art flow and diffusion models remain bottlenecked by the cost of proposing candidate materials. To address this, we introduce OMatG-flash, an all-atom flow map for inorganic crystal structure prediction (CSP) and de novo generation (DNG). OMatG-flash is a Pareto-optimal inference engine for materials, sampling candidate materials with an order of magnitude fewer inferenc

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