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most citedWeighted quantization using MMD: From mean field to mean shift via gradient flows

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stat.AP2026

Data Curation for Machine Learning Interatomic Potentials by Determinantal Point Processes

Joanna Zou, Youssef Marzouk

The development of machine learning interatomic potentials faces a critical computational bottleneck with the generation and labeling of useful training datasets. We present a nove…