Fig. 2
From: Active learning for accelerated design of layered materials
a Predicted (blue) and ground truth (red) band gap values of three-layer hetero-structures in the test data set. Yellow shading represents a 95% confidence interval (CI) of the predicted results. b Predicted (dashed lines) and ground truth (solid lines) values for the VBM and CBM dispersion curves in momentum space for a sample three-layered hetero-structure. c, d Predicted (dashed lines) and ground truth (solid lines) thermoelectric EFF curves versus carrier concentration for a sample n(p)-type-doped three-layered hetero-structure. In all models, 60% of the three-layered structures were randomly selected to comprise the training data set
