{ "primary_model_predeclared": "stack_all_plus_descriptors", "metrics": { "gat": { "n": 326, "r2": 0.9619111301853334, "mae": 0.48173724727396583, "rmse": 0.6952528802102196, "bias": -0.19879490100532954, "calibration_slope": 0.9107686591645506, "calibration_intercept": 0.48572745745937845 }, "gcn": { "n": 326, "r2": 0.9619900430777998, "mae": 0.47998837934681243, "rmse": 0.6945322909321195, "bias": -0.13295086870895573, "calibration_slope": 0.8833051690233126, "calibration_intercept": 0.7622527690813717 }, "fpnn": { "n": 326, "r2": 0.9526996951613617, "mae": 0.48369205619659894, "rmse": 0.7747752223707698, "bias": 0.06169912091062113, "calibration_slope": 0.9344920203865346, "calibration_intercept": 0.5642319337477542 }, "arithmetic_mean": { "n": 326, "r2": 0.9689860427826262, "mae": 0.4306982087698939, "rmse": 0.6273679743894834, "bias": -0.09001554960122138, "calibration_slope": 0.9095219495247995, "calibration_intercept": 0.6040707200961678 }, "stack_all_base_only": { "n": 326, "r2": 0.9739717601849609, "mae": 0.38241774188284977, "rmse": 0.5747330253072718, "bias": 0.004957002321003602, "calibration_slope": 0.9461900439818602, "calibration_intercept": 0.4177505080282001 }, "stack_all_plus_descriptors": { "n": 326, "r2": 0.9752509545556753, "mae": 0.37105907292084983, "rmse": 0.5604320710514787, "bias": 0.0031179561400452964, "calibration_slope": 0.9509414870035752, "calibration_intercept": 0.37946161190793914 }, "stack_gat_gcn": { "n": 326, "r2": 0.959549777367789, "mae": 0.5255687723292195, "rmse": 0.7164802305471819, "bias": -0.019897181647490565, "calibration_slope": 0.8565236899613292, "calibration_intercept": 1.0807558087922486 }, "stack_gat_fpnn": { "n": 326, "r2": 0.956619886231602, "mae": 0.5531252827068518, "rmse": 0.7419746999604352, "bias": -0.023892691872749852, "calibration_slope": 0.8483997065604112, "calibration_intercept": 1.1390819921071536 }, "stack_gcn_fpnn": { "n": 326, "r2": 0.9543917475242043, "mae": 0.5473723037824237, "rmse": 0.7607911808690003, "bias": 0.02861443588494824, "calibration_slope": 0.8448279098348253, "calibration_intercept": 1.2189895230826309 } }, "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." }