Aldrin Manon

SHAP-guided Machine Learning for Interpretable Band Gap Prediction and Inverse Design in ABX₃ Perovskites

The (ABX₃) perovskites form the basis of the future of optoelectronics, but the limiting DFT calculations remain the bottleneck to high-throughput density screening. Our presented explainable machine learning (ML) framework, based on SHapley Additive exPlanations (SHAP), attains a mean absolute error (MAE) of 0.2644 ...