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ENTITY Out-of-Distribution Detection in Molecular Complexes via Diffusion Models for Irregular Graphs

Out-of-Distribution Detection in Molecular Complexes via Diffusion Models for Irregular Graphs

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  1. TOOL · CL_129300 ·

    New diffusion model framework enhances OOD detection for molecular graphs

    Researchers have developed a new probabilistic framework for detecting out-of-distribution (OOD) inputs in complex 3D graph data, specifically molecular structures. This method utilizes a diffusion model to learn the di…