{ "primary_model_predeclared": "stack_all_plus_descriptors", "metrics": { "gat": { "n": 755, "r2": 0.9052566271003927, "mae": 0.7856904086687707, "rmse": 1.017748432339866, "bias": -0.4137189574589003, "calibration_slope": 0.879518151425356, "calibration_intercept": 0.5666446552215793 }, "gcn": { "n": 755, "r2": 0.927768610375894, "mae": 0.6654180869361422, "rmse": 0.8886464418363045, "bias": -0.30230659159603496, "calibration_slope": 0.9023656408026126, "calibration_intercept": 0.49214646699223 }, "fpnn": { "n": 755, "r2": 0.8683572504874754, "mae": 0.8274407059941071, "rmse": 1.1996774440762368, "bias": 0.023610734781682095, "calibration_slope": 0.9615396066176409, "calibration_intercept": 0.33656385301079056 }, "arithmetic_mean": { "n": 755, "r2": 0.9302708933017139, "mae": 0.642002104765532, "rmse": 0.8731182620690937, "bias": -0.23080493809108435, "calibration_slope": 0.9144744662818699, "calibration_intercept": 0.46511832507486717 }, "stack_all_base_only": { "n": 755, "r2": 0.9313752892732767, "mae": 0.6231559151991658, "rmse": 0.8661762762350435, "bias": -0.1506202333382588, "calibration_slope": 0.9463664571148401, "calibration_intercept": 0.28579715638308834 }, "stack_all_plus_descriptors": { "n": 755, "r2": 0.9281052944756719, "mae": 0.6587278840735695, "rmse": 0.8865729486316838, "bias": -0.2405002507959763, "calibration_slope": 0.9248004779052144, "calibration_intercept": 0.3714000148860798 }, "stack_gat_gcn": { "n": 755, "r2": 0.9094043761177006, "mae": 0.7681125504554076, "rmse": 0.9952212288441842, "bias": -0.30297396298309515, "calibration_slope": 0.8079383390176308, "calibration_intercept": 1.2598362532083869 }, "stack_gat_fpnn": { "n": 755, "r2": 0.9010415171162713, "mae": 0.7947558236914999, "rmse": 1.0401417661934866, "bias": -0.25989624665200445, "calibration_slope": 0.8077399924133057, "calibration_intercept": 1.304527920486274 }, "stack_gcn_fpnn": { "n": 755, "r2": 0.9089333129555606, "mae": 0.756446118870355, "rmse": 0.9978052621929515, "bias": -0.2270497428242046, "calibration_slope": 0.819040735143501, "calibration_intercept": 1.2454200170733587 } }, "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." }