Quantum-chemical bonding descriptors improve machine learning predictions of materials properties and enable symbolic regression to recover intuitive expressions for force constants and thermal conductivity.
Boosting SISSO Performance on Small Sample Datasets by Using Random Forests Prescreen- ing for Complex Feature Selection
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A critical assessment of bonding descriptors for predicting materials properties
Quantum-chemical bonding descriptors improve machine learning predictions of materials properties and enable symbolic regression to recover intuitive expressions for force constants and thermal conductivity.