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 Statistical Learning






Learning Superconductivity from Ordered and Disordered Material Structures Pin Chen

Neural Information Processing Systems

However, some critical aspects of it, such as the relationship between superconductivity and materials' chemical/structural features, still need to be understood. Recent successes of data-driven approaches in material science strongly inspire researchers to study this relationship with them, but a corresponding dataset is still lacking.


Learning Invariant Molecular Representation in Latent Discrete Space Xiang Zhuang

Neural Information Processing Systems

Molecular representation learning lays the foundation for drug discovery. However, existing methods suffer from poor out-of-distribution (OOD) generalization, particularly when data for training and testing originate from different environments.