{ "primary_model_predeclared": "stack_all_plus_descriptors", "metrics": { "gat": { "n": 755, "r2": 0.91116372989981, "mae": 0.8274036426417875, "rmse": 1.0607134873263382, "bias": -0.47229443764844475, "calibration_slope": 0.918452454635788, "calibration_intercept": 0.22850049963856983 }, "gcn": { "n": 755, "r2": 0.9183900718414933, "mae": 0.7595334941977697, "rmse": 1.01665694305067, "bias": -0.4081797424531141, "calibration_slope": 0.8780736461740213, "calibration_intercept": 0.639618460441775 }, "fpnn": { "n": 755, "r2": 0.8908691753809668, "mae": 0.777164862803276, "rmse": 1.175646219316405, "bias": -0.024111713005217496, "calibration_slope": 0.9718850490425908, "calibration_intercept": 0.21749967094297334 }, "arithmetic_mean": { "n": 755, "r2": 0.9317744536598535, "mae": 0.6850371705512074, "rmse": 0.9295578958632245, "bias": -0.3015286310355921, "calibration_slope": 0.9228037166174671, "calibration_intercept": 0.3618728770077727 }, "stack_all_base_only": { "n": 755, "r2": 0.9324973879518642, "mae": 0.6808260039514794, "rmse": 0.9246198704236903, "bias": -0.2972738525592868, "calibration_slope": 0.961773933150449, "calibration_intercept": 0.031229402822778616 }, "stack_all_plus_descriptors": { "n": 755, "r2": 0.9323638193624239, "mae": 0.6842701862357233, "rmse": 0.9255341990363235, "bias": -0.30797418720512626, "calibration_slope": 0.959610120044677, "calibration_intercept": 0.03912422346932366 }, "stack_gat_gcn": { "n": 755, "r2": 0.9073635202893898, "mae": 0.8336864622761365, "rmse": 1.0831633447472484, "bias": -0.46662365385889715, "calibration_slope": 0.8249042387960639, "calibration_intercept": 1.0380963526611935 }, "stack_gat_fpnn": { "n": 755, "r2": 0.9093622181774602, "mae": 0.8259165556625324, "rmse": 1.0714146179108104, "bias": -0.43108336421371496, "calibration_slope": 0.846482531222801, "calibration_intercept": 0.8881993244764179 }, "stack_gcn_fpnn": { "n": 755, "r2": 0.9142476441890048, "mae": 0.7851872607890018, "rmse": 1.0421397541943045, "bias": -0.420632896739945, "calibration_slope": 0.8660143906282229, "calibration_intercept": 0.7307989004734673 } }, "feature_dimensions": { "stack_all_base_only": 3, "stack_all_plus_descriptors": 8, "stack_gat_gcn": 2, "stack_gat_fpnn": 2, "stack_gcn_fpnn": 2 }, "selection_rule": "No outer-test model selection; all fixed ablations are reported." }