Digital Discovery · 2023 · 39 citations · 39 references
Natural SciencesMaterials EngineeringMaterials ScienceComputational Materials ScienceMachine LearningStatistical LearningMaterial ModelingProperty EstimationData-driven Materials DiscoveryMachine Learning Property PredictionMaterial Performance PredictionMaterials Property PredictionModel Performance AnalysisModel Performance EvaluationPredictive Model PerformanceProperty Distribution Modeling
In this work, we simulate a sequential learning (SL)-guided materials discovery process and demonstrate a decoupling between traditional model error metrics and model performance in guiding materials discoveries.
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