{ "primary_model_predeclared": "stack_all_plus_descriptors", "metrics": { "gat": { "n": 755, "r2": 0.8955745855694743, "mae": 0.852130371687428, "rmse": 1.087312804223501, "bias": -0.5336185771108463, "calibration_slope": 0.8750068461730875, "calibration_intercept": 0.48883760811250526 }, "gcn": { "n": 755, "r2": 0.9078279521656851, "mae": 0.7586792930072507, "rmse": 1.021529744668427, "bias": -0.4347657652090717, "calibration_slope": 0.8728176699767796, "calibration_intercept": 0.6055980947462769 }, "fpnn": { "n": 755, "r2": 0.8687302659384862, "mae": 0.8184743829120863, "rmse": 1.2190841962466525, "bias": 0.05875746888040707, "calibration_slope": 0.9651895398596172, "calibration_intercept": 0.3435104268727531 }, "arithmetic_mean": { "n": 755, "r2": 0.9224807720525319, "mae": 0.685558490405809, "rmse": 0.9368199225281878, "bias": -0.3032089578131703, "calibration_slope": 0.9043380186698281, "calibration_intercept": 0.47931537657717793 }, "stack_all_base_only": { "n": 755, "r2": 0.921548268655503, "mae": 0.6773317206381659, "rmse": 0.9424377305276482, "bias": -0.2961844370738217, "calibration_slope": 0.9470978205105032, "calibration_intercept": 0.13656054914946 }, "stack_all_plus_descriptors": { "n": 755, "r2": 0.9248691026030714, "mae": 0.6680274865919397, "rmse": 0.9222755314963064, "bias": -0.32512293684993954, "calibration_slope": 0.9444714119235643, "calibration_intercept": 0.12910632769116223 }, "stack_gat_gcn": { "n": 755, "r2": 0.9002324832589087, "mae": 0.8059969805174219, "rmse": 1.0627863793168837, "bias": -0.4427682127683698, "calibration_slope": 0.8317443336762352, "calibration_intercept": 0.9335795428042153 }, "stack_gat_fpnn": { "n": 755, "r2": 0.9019841166581886, "mae": 0.7955368583179866, "rmse": 1.0534153141703704, "bias": -0.364808490791606, "calibration_slope": 0.8573092091902812, "calibration_intercept": 0.8024160904829875 }, "stack_gcn_fpnn": { "n": 755, "r2": 0.9038543808783556, "mae": 0.7685238164863358, "rmse": 1.043316675313427, "bias": -0.3583809716929335, "calibration_slope": 0.8627309302047868, "calibration_intercept": 0.7644934030614448 } }, "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." }