{ "primary_model_predeclared": "stack_all_plus_descriptors", "metrics": { "gat": { "n": 402, "r2": 0.9684585710469772, "mae": 0.440936430621503, "rmse": 0.6464025654050995, "bias": -0.16100367103050003, "calibration_slope": 0.9427868428570866, "calibration_intercept": 0.2554141814519058 }, "gcn": { "n": 402, "r2": 0.9652458544060573, "mae": 0.4617103677780474, "rmse": 0.6785247553075283, "bias": -0.09563891671190214, "calibration_slope": 0.910683642086999, "calibration_intercept": 0.5544375309271823 }, "fpnn": { "n": 402, "r2": 0.9618631025069856, "mae": 0.4423188270621039, "rmse": 0.7107797867075308, "bias": 0.013408511135708633, "calibration_slope": 0.9491350279943084, "calibration_intercept": 0.3836219981537274 }, "arithmetic_mean": { "n": 402, "r2": 0.9736269135591926, "mae": 0.3948873490045715, "rmse": 0.5910753773098704, "bias": -0.08107802553556452, "calibration_slope": 0.934201837646131, "calibration_intercept": 0.39782457017760586 }, "stack_all_base_only": { "n": 402, "r2": 0.9774359431142116, "mae": 0.35700488193868873, "rmse": 0.5467275791158343, "bias": -0.019257434829374507, "calibration_slope": 0.9779744347018448, "calibration_intercept": 0.14105251936977015 }, "stack_all_plus_descriptors": { "n": 402, "r2": 0.9786703109214314, "mae": 0.34216397939945975, "rmse": 0.5315628869312928, "bias": -0.016567653189047165, "calibration_slope": 0.9859420950418503, "calibration_intercept": 0.08575081489429619 }, "stack_gat_gcn": { "n": 402, "r2": 0.9585034010007167, "mae": 0.5660211544281748, "rmse": 0.7414274159847202, "bias": 0.02290698362931723, "calibration_slope": 0.8508355283743402, "calibration_intercept": 1.10857944155491 }, "stack_gat_fpnn": { "n": 402, "r2": 0.9616324199314061, "mae": 0.5461780405190677, "rmse": 0.712926229161501, "bias": 0.03668861035035182, "calibration_slope": 0.860014257792528, "calibration_intercept": 1.0555549875821058 }, "stack_gcn_fpnn": { "n": 402, "r2": 0.9501989817018078, "mae": 0.6190625478312921, "rmse": 0.8122346274315778, "bias": 0.05689130918845302, "calibration_slope": 0.8232918537258486, "calibration_intercept": 1.343036497852338 } }, "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." }