Introduces the RealMat-BaG benchmark showing fundamental generalization limits of ML models when predicting experimental bandgaps from DFT-trained data.
A.et al.A reusable benchmark of brain-age prediction from M/EEG resting-state signals.NeuroImage262, 119521 (2022)
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Benchmarking bandgap prediction in semiconductors under experimental and realistic evaluation settings
Introduces the RealMat-BaG benchmark showing fundamental generalization limits of ML models when predicting experimental bandgaps from DFT-trained data.