{ "fold_results": [ { "fold": 0, "best_params": { "dropout": 0.3980773018180746, "lr": 0.0009896030589860336, "weight_decay": 0.0002988554096805342, "backbone_lr_ratio": 0.2882797738700643, "d_model": 256, "num_heads": 8, "n_attn_layers": 4, "fusion_strategy": "attention", "head_hidden_dim": 128, "set_transformer_block": "sab" }, "epoch_mean": 14, "test_metrics": { "size": { "n_samples": 83, "mse": 1.601088294900837, "rmse": 1.265341177272295, "mae": 0.5760945507650634, "r2": 0.02009455288902051 }, "delivery": { "n_samples": 58, "mse": 0.569556123704086, "rmse": 0.7546894220168228, "mae": 0.5891120558411911, "r2": 0.2760597975244864 }, "pdi": { "n_samples": 84, "accuracy": 0.7738095238095238, "precision": 0.7194960212201591, "recall": 0.7359230220955096, "f1": 0.7262905162064826 }, "ee": { "n_samples": 84, "accuracy": 0.7261904761904762, "precision": 0.684408546477512, "recall": 0.7380952380952381, "f1": 0.6942196418797404 }, "toxic": { "n_samples": 58, "accuracy": 0.9655172413793104, "precision": 0.75, "recall": 0.9821428571428572, "f1": 0.8242424242424242 }, "biodist": { "n_samples": 58, "kl_divergence": 0.2787090798576488, "js_divergence": 0.05423684052771057 } } }, { "fold": 1, "best_params": { "dropout": 0.23085562232445592, "lr": 0.0005227270589225132, "weight_decay": 0.00461701039547356, "backbone_lr_ratio": 0.12087164274488635, "d_model": 256, "num_heads": 8, "n_attn_layers": 4, "fusion_strategy": "attention", "head_hidden_dim": 128, "set_transformer_block": "sab" }, "epoch_mean": 11, "test_metrics": { "size": { "n_samples": 84, "mse": 0.3552515818625956, "rmse": 0.5960298498083763, "mae": 0.4518711648970133, "r2": -0.08481203101542345 }, "delivery": { "n_samples": 61, "mse": 1.078371115810122, "rmse": 1.038446491548853, "mae": 0.6491757012354057, "r2": 0.18375080395351728 }, "pdi": { "n_samples": 84, "accuracy": 0.6547619047619048, "precision": 0.5583333333333333, "recall": 0.5634920634920635, "f1": 0.5598915989159892 }, "ee": { "n_samples": 84, "accuracy": 0.5714285714285714, "precision": 0.5153903903903904, "recall": 0.5209076637648066, "f1": 0.507505844715147 }, "toxic": { "n_samples": 61, "accuracy": 0.9508196721311475, "precision": 0.75, "recall": 0.9741379310344828, "f1": 0.8200589970501475 }, "biodist": { "n_samples": 61, "kl_divergence": 0.5193434798072222, "js_divergence": 0.12637397289897973 } } }, { "fold": 2, "best_params": { "dropout": 0.318342405407684, "lr": 0.0008937362022799393, "weight_decay": 0.06633867694372529, "backbone_lr_ratio": 0.20906844321970927, "d_model": 256, "num_heads": 8, "n_attn_layers": 4, "fusion_strategy": "attention", "head_hidden_dim": 128, "set_transformer_block": "sab" }, "epoch_mean": 10, "test_metrics": { "size": { "n_samples": 84, "mse": 0.3646369784573562, "rmse": 0.6038517851736105, "mae": 0.47954003302203047, "r2": 0.2798484825035997 }, "delivery": { "n_samples": 60, "mse": 0.6872133280793995, "rmse": 0.828983309891942, "mae": 0.5440382711666947, "r2": 0.08519994983143697 }, "pdi": { "n_samples": 84, "accuracy": 0.7380952380952381, "precision": 0.6785714285714286, "recall": 0.7052785923753666, "f1": 0.6867796610169492 }, "ee": { "n_samples": 84, "accuracy": 0.6547619047619048, "precision": 0.6053846153846153, "recall": 0.6720354808590102, "f1": 0.6203502415458937 }, "toxic": { "n_samples": 61, "accuracy": 0.9344262295081968, "precision": 0.7142857142857143, "recall": 0.9655172413793103, "f1": 0.7821428571428571 }, "biodist": { "n_samples": 60, "kl_divergence": 0.35680852482645714, "js_divergence": 0.09025645010360116 } } }, { "fold": 3, "best_params": { "dropout": 0.12612237693012526, "lr": 0.0009464809649969671, "weight_decay": 0.07051438027639334, "backbone_lr_ratio": 0.9343703462702573, "d_model": 256, "num_heads": 8, "n_attn_layers": 4, "fusion_strategy": "attention", "head_hidden_dim": 128, "set_transformer_block": "sab" }, "epoch_mean": 19, "test_metrics": { "size": { "n_samples": 83, "mse": 1.6485083926359867, "rmse": 1.2839425192102591, "mae": 0.5286768473437932, "r2": 0.06759108835091887 }, "delivery": { "n_samples": 59, "mse": 0.6919949158910226, "rmse": 0.8318623178693831, "mae": 0.5334780438945202, "r2": 0.3272987252110757 }, "pdi": { "n_samples": 84, "accuracy": 0.7142857142857143, "precision": 0.6375, "recall": 0.6451612903225806, "f1": 0.6407697790449038 }, "ee": { "n_samples": 84, "accuracy": 0.5952380952380952, "precision": 0.5380952380952381, "recall": 0.5259426847662142, "f1": 0.5062561094819159 }, "toxic": { "n_samples": 60, "accuracy": 0.9333333333333333, "precision": 0.7142857142857143, "recall": 0.9649122807017544, "f1": 0.7818181818181817 }, "biodist": { "n_samples": 60, "kl_divergence": 0.2642989361691452, "js_divergence": 0.06629497269911663 } } }, { "fold": 4, "best_params": { "dropout": 0.20496607857127885, "lr": 0.0009573095972231165, "weight_decay": 0.00038069869878401156, "backbone_lr_ratio": 0.04121720375781922, "d_model": 256, "num_heads": 8, "n_attn_layers": 4, "fusion_strategy": "attention", "head_hidden_dim": 128, "set_transformer_block": "sab" }, "epoch_mean": 17, "test_metrics": { "size": { "n_samples": 84, "mse": 0.7197053265910517, "rmse": 0.8483544816826583, "mae": 0.511052241144214, "r2": 0.036944874168868824 }, "delivery": { "n_samples": 58, "mse": 1.0001767893259463, "rmse": 1.0000883907565103, "mae": 0.60194506123662, "r2": 0.03284555574221559 }, "pdi": { "n_samples": 84, "accuracy": 0.7261904761904762, "precision": 0.6836007130124777, "recall": 0.7265395894428153, "f1": 0.6891391794046662 }, "ee": { "n_samples": 84, "accuracy": 0.6904761904761905, "precision": 0.6314814814814814, "recall": 0.6444444444444445, "f1": 0.6326984475152934 }, "toxic": { "n_samples": 59, "accuracy": 0.9661016949152542, "precision": 0.8, "recall": 0.9821428571428572, "f1": 0.865909090909091 }, "biodist": { "n_samples": 58, "kl_divergence": 0.2786833611146747, "js_divergence": 0.07839598379605058 } } }, { "fold": 0, "best_params": { "dropout": 0.3980773018180746, "lr": 0.0009896030589860336, "weight_decay": 0.0002988554096805342, "backbone_lr_ratio": 0.2882797738700643, "d_model": 256, "num_heads": 8, "n_attn_layers": 4, "fusion_strategy": "attention", "head_hidden_dim": 128, "set_transformer_block": "sab" }, "epoch_mean": 14, "test_metrics": { "size": { "n_samples": 83, "mse": 1.5048982722984092, "rmse": 1.2267429528219875, "mae": 0.5805474416723093, "r2": 0.07896521442969773 }, "delivery": { "n_samples": 58, "mse": 0.6736236117326778, "rmse": 0.8207457655892462, "mae": 0.6456835756142592, "r2": 0.1437837404002562 }, "pdi": { "n_samples": 84, "accuracy": 0.7857142857142857, "precision": 0.7305773342836779, "recall": 0.7305773342836779, "f1": 0.7305773342836779 }, "ee": { "n_samples": 84, "accuracy": 0.6785714285714286, "precision": 0.6646103896103895, "recall": 0.7014285714285715, "f1": 0.6618818596621038 }, "toxic": { "n_samples": 58, "accuracy": 0.9827586206896551, "precision": 0.9912280701754386, "recall": 0.75, "f1": 0.8289085545722714 }, "biodist": { "n_samples": 58, "kl_divergence": 0.2890762442571175, "js_divergence": 0.05687567953491692 } } }, { "fold": 1, "best_params": { "dropout": 0.23085562232445592, "lr": 0.0005227270589225132, "weight_decay": 0.00461701039547356, "backbone_lr_ratio": 0.12087164274488635, "d_model": 256, "num_heads": 8, "n_attn_layers": 4, "fusion_strategy": "attention", "head_hidden_dim": 128, "set_transformer_block": "sab" }, "epoch_mean": 11, "test_metrics": { "size": { "n_samples": 84, "mse": 0.34313442749289724, "rmse": 0.5857767727495665, "mae": 0.44384193185362075, "r2": -0.04781054949350838 }, "delivery": { "n_samples": 61, "mse": 1.099845523641604, "rmse": 1.0487352018701404, "mae": 0.6761384357499783, "r2": 0.1674962252922061 }, "pdi": { "n_samples": 84, "accuracy": 0.6547619047619048, "precision": 0.6215277777777778, "recall": 0.6587301587301587, "f1": 0.6149834044570887 }, "ee": { "n_samples": 84, "accuracy": 0.5595238095238095, "precision": 0.5017255158384191, "recall": 0.5057561486132914, "f1": 0.4936173861292259 }, "toxic": { "n_samples": 61, "accuracy": 0.9508196721311475, "precision": 0.75, "recall": 0.9741379310344828, "f1": 0.8200589970501475 }, "biodist": { "n_samples": 61, "kl_divergence": 0.5199198163542676, "js_divergence": 0.12515294319531267 } } }, { "fold": 2, "best_params": { "dropout": 0.318342405407684, "lr": 0.0008937362022799393, "weight_decay": 0.06633867694372529, "backbone_lr_ratio": 0.20906844321970927, "d_model": 256, "num_heads": 8, "n_attn_layers": 4, "fusion_strategy": "attention", "head_hidden_dim": 128, "set_transformer_block": "sab" }, "epoch_mean": 10, "test_metrics": { "size": { "n_samples": 84, "mse": 0.4877212975355261, "rmse": 0.6983704586646876, "mae": 0.5448984429905457, "r2": 0.036759151467687046 }, "delivery": { "n_samples": 60, "mse": 0.7067592342133922, "rmse": 0.8406897371880974, "mae": 0.5448016864635671, "r2": 0.05918096099439174 }, "pdi": { "n_samples": 84, "accuracy": 0.7380952380952381, "precision": 0.6851851851851851, "recall": 0.7199413489736071, "f1": 0.6936339522546419 }, "ee": { "n_samples": 84, "accuracy": 0.6785714285714286, "precision": 0.6240783117213323, "recall": 0.6851073762838468, "f1": 0.6414141414141414 }, "toxic": { "n_samples": 61, "accuracy": 0.9344262295081968, "precision": 0.7142857142857143, "recall": 0.9655172413793103, "f1": 0.7821428571428571 }, "biodist": { "n_samples": 60, "kl_divergence": 0.38840109926844824, "js_divergence": 0.09646626485112685 } } }, { "fold": 3, "best_params": { "dropout": 0.12612237693012526, "lr": 0.0009464809649969671, "weight_decay": 0.07051438027639334, "backbone_lr_ratio": 0.9343703462702573, "d_model": 256, "num_heads": 8, "n_attn_layers": 4, "fusion_strategy": "attention", "head_hidden_dim": 128, "set_transformer_block": "sab" }, "epoch_mean": 19, "test_metrics": { "size": { "n_samples": 83, "mse": 1.9244709959119324, "rmse": 1.3872530396117113, "mae": 0.5739306664004563, "r2": -0.08849546342266934 }, "delivery": { "n_samples": 59, "mse": 0.7217060909432494, "rmse": 0.849532866311392, "mae": 0.5202912685256136, "r2": 0.2984159330486872 }, "pdi": { "n_samples": 84, "accuracy": 0.7023809523809523, "precision": 0.6267796610169492, "recall": 0.6370967741935484, "f1": 0.6307367680675224 }, "ee": { "n_samples": 84, "accuracy": 0.6190476190476191, "precision": 0.5577586206896551, "recall": 0.5861990950226245, "f1": 0.5614861329147044 }, "toxic": { "n_samples": 60, "accuracy": 0.9333333333333333, "precision": 0.7142857142857143, "recall": 0.9649122807017544, "f1": 0.7818181818181817 }, "biodist": { "n_samples": 60, "kl_divergence": 0.2617822353923735, "js_divergence": 0.06083979574849321 } } }, { "fold": 4, "best_params": { "dropout": 0.20496607857127885, "lr": 0.0009573095972231165, "weight_decay": 0.00038069869878401156, "backbone_lr_ratio": 0.04121720375781922, "d_model": 256, "num_heads": 8, "n_attn_layers": 4, "fusion_strategy": "attention", "head_hidden_dim": 128, "set_transformer_block": "sab" }, "epoch_mean": 17, "test_metrics": { "size": { "n_samples": 84, "mse": 0.7148724493029326, "rmse": 0.8455013005920999, "mae": 0.5005925307438398, "r2": 0.04341186430062394 }, "delivery": { "n_samples": 58, "mse": 1.0380505423911823, "rmse": 1.018847654161888, "mae": 0.6400383858588236, "r2": -0.0037777382480910227 }, "pdi": { "n_samples": 84, "accuracy": 0.7738095238095238, "precision": 0.7213166144200627, "recall": 0.7587976539589443, "f1": 0.7325289089994973 }, "ee": { "n_samples": 84, "accuracy": 0.6904761904761905, "precision": 0.6308992939427722, "recall": 0.6444444444444445, "f1": 0.633663610371685 }, "toxic": { "n_samples": 59, "accuracy": 0.9661016949152542, "precision": 0.8, "recall": 0.9821428571428572, "f1": 0.865909090909091 }, "biodist": { "n_samples": 58, "kl_divergence": 0.2701739757789761, "js_divergence": 0.07372463442305974 } } }, { "fold": 0, "best_params": { "dropout": 0.3980773018180746, "lr": 0.0009896030589860336, "weight_decay": 0.0002988554096805342, "backbone_lr_ratio": 0.2882797738700643, "d_model": 256, "num_heads": 8, "n_attn_layers": 4, "fusion_strategy": "attention", "head_hidden_dim": 128, "set_transformer_block": "sab" }, "epoch_mean": 14, "test_metrics": { "size": { "n_samples": 83, "mse": 1.4541105583695868, "rmse": 1.2058650664023678, "mae": 0.5784477213150766, "r2": 0.11004854548874443 }, "delivery": { "n_samples": 58, "mse": 0.59667434347555, "rmse": 0.7724469842491134, "mae": 0.6142617367079546, "r2": 0.24159090377534476 }, "pdi": { "n_samples": 84, "accuracy": 0.75, "precision": 0.6916445623342176, "recall": 0.7059871703492516, "f1": 0.6974789915966386 }, "ee": { "n_samples": 84, "accuracy": 0.7142857142857143, "precision": 0.6695636813283872, "recall": 0.7142857142857144, "f1": 0.6750809541465826 }, "toxic": { "n_samples": 58, "accuracy": 0.9655172413793104, "precision": 0.75, "recall": 0.9821428571428572, "f1": 0.8242424242424242 }, "biodist": { "n_samples": 58, "kl_divergence": 0.2587242230390428, "js_divergence": 0.052354750762398025 } } }, { "fold": 1, "best_params": { "dropout": 0.23085562232445592, "lr": 0.0005227270589225132, "weight_decay": 0.00461701039547356, "backbone_lr_ratio": 0.12087164274488635, "d_model": 256, "num_heads": 8, "n_attn_layers": 4, "fusion_strategy": "attention", "head_hidden_dim": 128, "set_transformer_block": "sab" }, "epoch_mean": 11, "test_metrics": { "size": { "n_samples": 84, "mse": 0.36298737292148275, "rmse": 0.6024843341710079, "mae": 0.45925771394034937, "r2": -0.1084343866601285 }, "delivery": { "n_samples": 61, "mse": 1.0462031939942293, "rmse": 1.022840747132333, "mae": 0.634948962077987, "r2": 0.20809960181702725 }, "pdi": { "n_samples": 84, "accuracy": 0.7023809523809523, "precision": 0.6514423076923077, "recall": 0.6904761904761905, "f1": 0.6554552912223134 }, "ee": { "n_samples": 84, "accuracy": 0.5476190476190477, "precision": 0.48089218250508575, "recall": 0.48011512297226583, "f1": 0.47062888038209943 }, "toxic": { "n_samples": 61, "accuracy": 0.9508196721311475, "precision": 0.75, "recall": 0.9741379310344828, "f1": 0.8200589970501475 }, "biodist": { "n_samples": 61, "kl_divergence": 0.5244687341232338, "js_divergence": 0.12337098779147845 } } }, { "fold": 2, "best_params": { "dropout": 0.318342405407684, "lr": 0.0008937362022799393, "weight_decay": 0.06633867694372529, "backbone_lr_ratio": 0.20906844321970927, "d_model": 256, "num_heads": 8, "n_attn_layers": 4, "fusion_strategy": "attention", "head_hidden_dim": 128, "set_transformer_block": "sab" }, "epoch_mean": 10, "test_metrics": { "size": { "n_samples": 84, "mse": 0.4579348623566749, "rmse": 0.6767088460753818, "mae": 0.5252955685635763, "r2": 0.09558682875266244 }, "delivery": { "n_samples": 60, "mse": 0.6918557253424359, "rmse": 0.8317786516510483, "mae": 0.5500254434921469, "r2": 0.07902011443593149 }, "pdi": { "n_samples": 84, "accuracy": 0.6785714285714286, "precision": 0.6428571428571428, "recall": 0.6796187683284457, "f1": 0.6415362731152205 }, "ee": { "n_samples": 84, "accuracy": 0.6785714285714286, "precision": 0.6222222222222222, "recall": 0.6851073762838468, "f1": 0.636502849002849 }, "toxic": { "n_samples": 61, "accuracy": 0.9344262295081968, "precision": 0.7142857142857143, "recall": 0.9655172413793103, "f1": 0.7821428571428571 }, "biodist": { "n_samples": 60, "kl_divergence": 0.3340915841461506, "js_divergence": 0.08509576023385822 } } }, { "fold": 3, "best_params": { "dropout": 0.12612237693012526, "lr": 0.0009464809649969671, "weight_decay": 0.07051438027639334, "backbone_lr_ratio": 0.9343703462702573, "d_model": 256, "num_heads": 8, "n_attn_layers": 4, "fusion_strategy": "attention", "head_hidden_dim": 128, "set_transformer_block": "sab" }, "epoch_mean": 19, "test_metrics": { "size": { "n_samples": 83, "mse": 1.8202166309492056, "rmse": 1.3491540427057267, "mae": 0.5770047424306408, "r2": -0.02952839998289769 }, "delivery": { "n_samples": 59, "mse": 0.8240920088267009, "rmse": 0.9077951359347002, "mae": 0.5719114731271135, "r2": 0.1988846563023151 }, "pdi": { "n_samples": 84, "accuracy": 0.7142857142857143, "precision": 0.6375, "recall": 0.6451612903225806, "f1": 0.6407697790449038 }, "ee": { "n_samples": 84, "accuracy": 0.5833333333333334, "precision": 0.475235446249939, "recall": 0.4788838612368025, "f1": 0.4725999853769101 }, "toxic": { "n_samples": 60, "accuracy": 0.9333333333333333, "precision": 0.7142857142857143, "recall": 0.9649122807017544, "f1": 0.7818181818181817 }, "biodist": { "n_samples": 60, "kl_divergence": 0.26692129352633476, "js_divergence": 0.061695485072966134 } } }, { "fold": 4, "best_params": { "dropout": 0.20496607857127885, "lr": 0.0009573095972231165, "weight_decay": 0.00038069869878401156, "backbone_lr_ratio": 0.04121720375781922, "d_model": 256, "num_heads": 8, "n_attn_layers": 4, "fusion_strategy": "attention", "head_hidden_dim": 128, "set_transformer_block": "sab" }, "epoch_mean": 17, "test_metrics": { "size": { "n_samples": 84, "mse": 0.713518768290232, "rmse": 0.844700401497615, "mae": 0.5241211098341626, "r2": 0.045223257644336656 }, "delivery": { "n_samples": 58, "mse": 1.0365573602046312, "rmse": 1.018114610544722, "mae": 0.6499280054764501, "r2": -0.0023338557232996937 }, "pdi": { "n_samples": 84, "accuracy": 0.75, "precision": 0.6949843260188088, "recall": 0.7280058651026393, "f1": 0.7043740573152337 }, "ee": { "n_samples": 84, "accuracy": 0.7023809523809523, "precision": 0.639751552795031, "recall": 0.6722222222222222, "f1": 0.6522525093953665 }, "toxic": { "n_samples": 59, "accuracy": 0.9661016949152542, "precision": 0.8, "recall": 0.9821428571428572, "f1": 0.865909090909091 }, "biodist": { "n_samples": 58, "kl_divergence": 0.3119448408030975, "js_divergence": 0.08658354575321366 } } } ], "summary_stats": { "size": { "mse_mean": 0.9648704139917805, "mse_std": 0.5891656318820191, "rmse_mean": 0.9346718018959568, "rmse_std": 0.3020911066753635, "mae_mean": 0.5236781804611128, "mae_std": 0.047009951044540414, "r2_mean": 0.030359535294768855, "r2_std": 0.09435084837045356 }, "delivery": { "mse_mean": 0.8308453271717486, "mse_std": 0.18767747504329296, "rmse_mean": 0.9057064857810794, "rmse_std": 0.10266980464496812, "mae_mean": 0.5977185404312217, "mae_std": 0.049065196777405395, "r2_mean": 0.1530343582905001, "r2_std": 0.10421669155896922 }, "pdi": { "accuracy_mean": 0.7238095238095238, "accuracy_std": 0.039411774660111545, "precision_mean": 0.665421093848235, "precision_std": 0.0446473083216482, "recall_mean": 0.6887191408298253, "recall_std": 0.04935509276909138, "f1_mean": 0.669663032996382, "f1_std": 0.04712559651378041 }, "ee": { "accuracy_mean": 0.6460317460317461, "accuracy_std": 0.058558307129195915, "precision_mean": 0.5894331659154981, "precision_std": 0.06893389274036124, "recall_mean": 0.6169983629815563, "recall_std": 0.08823505436531638, "f1_mean": 0.5906772395955772, "f1_std": 0.07683138902833272 }, "toxic": { "accuracy_mean": 0.9511890595408049, "accuracy_std": 0.016071213375949578, "precision_mean": 0.7617961570593149, "precision_std": 0.0689235340767993, "recall_mean": 0.958294443004062, "recall_std": 0.05613748087593979, "f1_mean": 0.8151453855878633, "f1_std": 0.03136647604932657 }, "biodist": { "kl_divergence_mean": 0.34155649523094606, "kl_divergence_std": 0.09686930050549591, "js_divergence_mean": 0.08251453782615217, "js_divergence_std": 0.024921020774773404 } } }