RESEARCH PAPER · Physical Chemistry Chemical Physics · 2025
Density-aware active learning for materials discovery: a case study on functionalized nanoporous materials
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The Role of Surprise in AI-Driven Materials Discovery
Journal of Artificial Intelligence for Materials Science · 2022-01-01
Claire Martin, Sophie Bernard, Julien Robert
Read original paper ↗ ·Critical Assessment of Active Learning Benchmarks in Materials Discovery: Undisclosed Baselines and Optimistic Bias
Journal of Computational and Data-Driven Materials Engineering · 2025-01-01
Nguyễn Văn Nam, Tran Thi Hoa, Le Minh Duc
Read original paper ↗ ·Quantifying chemistry-dependent reliability in goal-directed active learning for small-data screening of lithium solid electrolytes
SSRN Electronic Journal · 2026-01-01
Wenfei Wu, Zhonghua Chen, Yi Lin, Qianyu Zhang, Zeyang Xu, Shanshan Song, Tao Chen
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