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Machine Learning in Materials ScienceBayesian Modeling and Causal InferenceComputational Drug Discovery Methods

Data Distribution Matters: Enhancing model generalization in Data-Driven Materials Discovery by intentionally exploiting both positive and negative data

Yiheng Wu, Lijun Liu, Wei Deng, Haodong Jiang, Ruotong Li, Ming Hu, Bo Peng, Dapeng Wang

2026.3.1ACTA PHYSICO-CHIMICA SINICA

DOI: 10.1016/j.actphy.2026.100291

Abstract

Abstract is not available.

Citation format

WU, Yiheng, et al. Data distribution matters: Enhancing model generalization in data-driven materials discovery by intentionally exploiting both positive and negative data. ACTA PHYSICO-CHIMICA SINICA, 2026: 100291.