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cond-mat.mtrl-sci2023
From Prediction to Action: Critical Role of Performance Estimation for Machine-Learning-Driven Materials Discovery
Mario Boley, Felix Luong, Simon Teshuva +3
Materials discovery driven by statistical property models is an iterative decision process, during which an initial data collection is extended with new data proposed by a model-in…
cond-mat.mtrl-sci2023
Towards a Multi-Objective Optimization of Subgroups for the Discovery of Materials with Exceptional Performance
Lucas Foppa, Matthias Scheffler
Artificial intelligence (AI) can accelerate the design of materials by identifying correlations and complex patterns in data. However, AI methods commonly attempt to describe the e…