{ "fold_results": [ { "fold": 0, "best_params": { "dropout": 0.18569939775458322, "lr": 0.0009872295492725695, "weight_decay": 0.017393516831905452, "backbone_lr_ratio": 0.17239541174804215, "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": 83, "mse": 1.5282298486963632, "rmse": 1.2362159393473144, "mae": 0.5704747740717897, "r2": 0.06468571536968037 }, "delivery": { "n_samples": 58, "mse": 0.5436139978785772, "rmse": 0.7373018363455887, "mae": 0.5591465608570082, "r2": 0.3090338048982032 }, "pdi": { "n_samples": 84, "accuracy": 0.7738095238095238, "precision": 0.7232142857142857, "recall": 0.7494654312188168, "f1": 0.7325289089994973 }, "ee": { "n_samples": 84, "accuracy": 0.7023809523809523, "precision": 0.6590590922487474, "recall": 0.6976190476190475, "f1": 0.666253917297256 }, "toxic": { "n_samples": 58, "accuracy": 0.9655172413793104, "precision": 0.75, "recall": 0.9821428571428572, "f1": 0.8242424242424242 }, "biodist": { "n_samples": 58, "kl_divergence": 0.33174143107041487, "js_divergence": 0.07276002005717812 } } }, { "fold": 1, "best_params": { "dropout": 0.36640960296080094, "lr": 0.0009935032389272061, "weight_decay": 0.007506834667713186, "backbone_lr_ratio": 0.10108281143505408, "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": 0.37057228076561216, "rmse": 0.6087464831648821, "mae": 0.4609523837321571, "r2": -0.13159599860936777 }, "delivery": { "n_samples": 61, "mse": 1.082995768972751, "rmse": 1.0406708264253164, "mae": 0.6707069295779114, "r2": 0.18025027489571332 }, "pdi": { "n_samples": 84, "accuracy": 0.6666666666666666, "precision": 0.5886939571150097, "recall": 0.6031746031746031, "f1": 0.5916666666666667 }, "ee": { "n_samples": 84, "accuracy": 0.5595238095238095, "precision": 0.4957294957294957, "recall": 0.49526663812378097, "f1": 0.4845300550726907 }, "toxic": { "n_samples": 61, "accuracy": 0.9508196721311475, "precision": 0.75, "recall": 0.9741379310344828, "f1": 0.8200589970501475 }, "biodist": { "n_samples": 61, "kl_divergence": 0.37009493729038634, "js_divergence": 0.09345595384422643 } } }, { "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": 0.365749434655222, "rmse": 0.6047722171654565, "mae": 0.47718314868619754, "r2": 0.2776514013890329 }, "delivery": { "n_samples": 60, "mse": 0.668501323406245, "rmse": 0.817619302246617, "mae": 0.5434193710253263, "r2": 0.11010887128905211 }, "pdi": { "n_samples": 84, "accuracy": 0.7738095238095238, "precision": 0.7122033898305085, "recall": 0.7294721407624634, "f1": 0.719359943731317 }, "ee": { "n_samples": 84, "accuracy": 0.6666666666666666, "precision": 0.6145962732919253, "recall": 0.6785714285714285, "f1": 0.6278721278721279 }, "toxic": { "n_samples": 61, "accuracy": 0.9344262295081968, "precision": 0.7142857142857143, "recall": 0.9655172413793103, "f1": 0.7821428571428571 }, "biodist": { "n_samples": 60, "kl_divergence": 0.3336122920652159, "js_divergence": 0.08430196229187475 } } }, { "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": 18, "test_metrics": { "size": { "n_samples": 83, "mse": 1.7046487347114636, "rmse": 1.3056219723608604, "mae": 0.5513793248122176, "r2": 0.03583768297668177 }, "delivery": { "n_samples": 59, "mse": 0.7345580643934568, "rmse": 0.8570636291393171, "mae": 0.5434487631733892, "r2": 0.28592228790047713 }, "pdi": { "n_samples": 84, "accuracy": 0.7380952380952381, "precision": 0.6612903225806452, "recall": 0.6612903225806452, "f1": 0.6612903225806452 }, "ee": { "n_samples": 84, "accuracy": 0.6547619047619048, "precision": 0.6206349206349207, "recall": 0.5979889391654097, "f1": 0.5781687846203974 }, "toxic": { "n_samples": 60, "accuracy": 0.9333333333333333, "precision": 0.7142857142857143, "recall": 0.9649122807017544, "f1": 0.7818181818181817 }, "biodist": { "n_samples": 60, "kl_divergence": 0.2397795651876451, "js_divergence": 0.0585131523487816 } } }, { "fold": 4, "best_params": { "dropout": 0.313123672812509, "lr": 0.0009765192272158632, "weight_decay": 0.0053740240978641905, "backbone_lr_ratio": 0.13566938254683006, "d_model": 256, "num_heads": 8, "n_attn_layers": 4, "fusion_strategy": "attention", "head_hidden_dim": 128, "set_transformer_block": "sab" }, "epoch_mean": 13, "test_metrics": { "size": { "n_samples": 84, "mse": 0.6868306794055117, "rmse": 0.8287524838005083, "mae": 0.5001247360376597, "r2": 0.08093523565734784 }, "delivery": { "n_samples": 58, "mse": 1.1008487633192388, "rmse": 1.0492134021824344, "mae": 0.654239107951008, "r2": -0.06450258120608798 }, "pdi": { "n_samples": 84, "accuracy": 0.7142857142857143, "precision": 0.6752941176470588, "recall": 0.718475073313783, "f1": 0.6785714285714286 }, "ee": { "n_samples": 84, "accuracy": 0.6785714285714286, "precision": 0.626984126984127, "recall": 0.6594017094017094, "f1": 0.6342062193126022 }, "toxic": { "n_samples": 59, "accuracy": 0.9661016949152542, "precision": 0.8, "recall": 0.9821428571428572, "f1": 0.865909090909091 }, "biodist": { "n_samples": 58, "kl_divergence": 0.2992118497501824, "js_divergence": 0.08211837700207104 } } }, { "fold": 0, "best_params": { "dropout": 0.18569939775458322, "lr": 0.0009872295492725695, "weight_decay": 0.017393516831905452, "backbone_lr_ratio": 0.17239541174804215, "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": 83, "mse": 1.5000130580754827, "rmse": 1.2247502023169796, "mae": 0.5513235701315374, "r2": 0.08195508578319866 }, "delivery": { "n_samples": 58, "mse": 0.6098699437647568, "rmse": 0.7809417031794094, "mae": 0.6011813956088033, "r2": 0.2248184995335506 }, "pdi": { "n_samples": 84, "accuracy": 0.8333333333333334, "precision": 0.7904490377761939, "recall": 0.7904490377761939, "f1": 0.7904490377761939 }, "ee": { "n_samples": 84, "accuracy": 0.6904761904761905, "precision": 0.6475648393751842, "recall": 0.6809523809523809, "f1": 0.6526484751203853 }, "toxic": { "n_samples": 58, "accuracy": 0.9827586206896551, "precision": 0.9912280701754386, "recall": 0.75, "f1": 0.8289085545722714 }, "biodist": { "n_samples": 58, "kl_divergence": 0.31929652154466054, "js_divergence": 0.06311757696370286 } } }, { "fold": 1, "best_params": { "dropout": 0.36640960296080094, "lr": 0.0009935032389272061, "weight_decay": 0.007506834667713186, "backbone_lr_ratio": 0.10108281143505408, "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": 0.35953046688813006, "rmse": 0.5996085947417116, "mae": 0.4586696324404329, "r2": -0.09787822464275231 }, "delivery": { "n_samples": 61, "mse": 1.1161931438403756, "rmse": 1.0565004230194968, "mae": 0.6922882909840736, "r2": 0.15512225528421297 }, "pdi": { "n_samples": 84, "accuracy": 0.7261904761904762, "precision": 0.6685185185185185, "recall": 0.7063492063492063, "f1": 0.6762192056309704 }, "ee": { "n_samples": 84, "accuracy": 0.5476190476190477, "precision": 0.48175125313283207, "recall": 0.48011512297226583, "f1": 0.4721157939548744 }, "toxic": { "n_samples": 61, "accuracy": 0.9508196721311475, "precision": 0.75, "recall": 0.9741379310344828, "f1": 0.8200589970501475 }, "biodist": { "n_samples": 61, "kl_divergence": 0.3950644341107201, "js_divergence": 0.09966091530608283 } } }, { "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": 0.4926918006241934, "rmse": 0.7019200813655307, "mae": 0.537246183603115, "r2": 0.026942496675384175 }, "delivery": { "n_samples": 60, "mse": 0.726897839382552, "rmse": 0.8525830395818064, "mae": 0.5536939328614001, "r2": 0.03237298701263025 }, "pdi": { "n_samples": 84, "accuracy": 0.7261904761904762, "precision": 0.6686520376175549, "recall": 0.6972140762463344, "f1": 0.6762192056309704 }, "ee": { "n_samples": 84, "accuracy": 0.6666666666666666, "precision": 0.6139316239316239, "recall": 0.6785714285714285, "f1": 0.6277576489533011 }, "toxic": { "n_samples": 61, "accuracy": 0.9344262295081968, "precision": 0.7142857142857143, "recall": 0.9655172413793103, "f1": 0.7821428571428571 }, "biodist": { "n_samples": 60, "kl_divergence": 0.38696828264806826, "js_divergence": 0.0987549780391864 } } }, { "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": 18, "test_metrics": { "size": { "n_samples": 83, "mse": 1.7722816318702095, "rmse": 1.3312706831708605, "mae": 0.5694137913208589, "r2": -0.0024159991478140963 }, "delivery": { "n_samples": 59, "mse": 0.6715869625788514, "rmse": 0.8195040955229275, "mae": 0.48721023672654973, "r2": 0.34713768051792715 }, "pdi": { "n_samples": 84, "accuracy": 0.7023809523809523, "precision": 0.6267796610169492, "recall": 0.6370967741935484, "f1": 0.6307367680675224 }, "ee": { "n_samples": 84, "accuracy": 0.6190476190476191, "precision": 0.5535293250810492, "recall": 0.5760683760683761, "f1": 0.5530481924570595 }, "toxic": { "n_samples": 60, "accuracy": 0.9333333333333333, "precision": 0.7142857142857143, "recall": 0.9649122807017544, "f1": 0.7818181818181817 }, "biodist": { "n_samples": 60, "kl_divergence": 0.27026190922231863, "js_divergence": 0.06299181317830951 } } }, { "fold": 4, "best_params": { "dropout": 0.313123672812509, "lr": 0.0009765192272158632, "weight_decay": 0.0053740240978641905, "backbone_lr_ratio": 0.13566938254683006, "d_model": 256, "num_heads": 8, "n_attn_layers": 4, "fusion_strategy": "attention", "head_hidden_dim": 128, "set_transformer_block": "sab" }, "epoch_mean": 13, "test_metrics": { "size": { "n_samples": 84, "mse": 0.7536341327012797, "rmse": 0.8681210357440255, "mae": 0.5072707110472644, "r2": -0.00845608290415334 }, "delivery": { "n_samples": 58, "mse": 1.087167994986309, "rmse": 1.0426734843594656, "mae": 0.6497257278654082, "r2": -0.0512735040716632 }, "pdi": { "n_samples": 84, "accuracy": 0.75, "precision": 0.6890838206627681, "recall": 0.7133431085043989, "f1": 0.6974789915966386 }, "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": 0.21472605299515538, "js_divergence": 0.0586261381599948 } } }, { "fold": 0, "best_params": { "dropout": 0.18569939775458322, "lr": 0.0009872295492725695, "weight_decay": 0.017393516831905452, "backbone_lr_ratio": 0.17239541174804215, "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": 83, "mse": 1.5072429789639405, "rmse": 1.2276982442619768, "mae": 0.5558247003165713, "r2": 0.07753019623566748 }, "delivery": { "n_samples": 58, "mse": 0.5835939668070607, "rmse": 0.76393322143173, "mae": 0.5947980444942569, "r2": 0.2582168518421626 }, "pdi": { "n_samples": 84, "accuracy": 0.7738095238095238, "precision": 0.7232142857142857, "recall": 0.7494654312188168, "f1": 0.7325289089994973 }, "ee": { "n_samples": 84, "accuracy": 0.7142857142857143, "precision": 0.6729142936039488, "recall": 0.7214285714285715, "f1": 0.6806141997028696 }, "toxic": { "n_samples": 58, "accuracy": 0.9655172413793104, "precision": 0.75, "recall": 0.9821428571428572, "f1": 0.8242424242424242 }, "biodist": { "n_samples": 58, "kl_divergence": 0.28982565124202386, "js_divergence": 0.06069208833134297 } } }, { "fold": 1, "best_params": { "dropout": 0.36640960296080094, "lr": 0.0009935032389272061, "weight_decay": 0.007506834667713186, "backbone_lr_ratio": 0.10108281143505408, "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": 0.4057494802572597, "rmse": 0.6369846781966264, "mae": 0.5019206670778138, "r2": -0.2390146595647713 }, "delivery": { "n_samples": 61, "mse": 1.095192634861098, "rmse": 1.0465145172720243, "mae": 0.6369023019234177, "r2": 0.17101812667726723 }, "pdi": { "n_samples": 84, "accuracy": 0.6190476190476191, "precision": 0.5575167376749848, "recall": 0.5714285714285714, "f1": 0.5543766578249337 }, "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": 0.3834603232909285, "js_divergence": 0.0914682060621546 } } }, { "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": 0.4667056344892945, "rmse": 0.6831585719943024, "mae": 0.5159196099488154, "r2": 0.07826471049783545 }, "delivery": { "n_samples": 60, "mse": 0.6618025560042317, "rmse": 0.8135124805460772, "mae": 0.5426560255466029, "r2": 0.11902609175763024 }, "pdi": { "n_samples": 84, "accuracy": 0.7142857142857143, "precision": 0.6517857142857143, "recall": 0.6744868035190617, "f1": 0.6583050847457628 }, "ee": { "n_samples": 84, "accuracy": 0.6666666666666666, "precision": 0.6138888888888889, "recall": 0.6785714285714285, "f1": 0.6291768416768416 }, "toxic": { "n_samples": 61, "accuracy": 0.9344262295081968, "precision": 0.7142857142857143, "recall": 0.9655172413793103, "f1": 0.7821428571428571 }, "biodist": { "n_samples": 60, "kl_divergence": 0.3327396562359482, "js_divergence": 0.08480501673906925 } } }, { "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": 18, "test_metrics": { "size": { "n_samples": 83, "mse": 1.7929979497607713, "rmse": 1.3390287337323166, "mae": 0.5495479974351509, "r2": -0.014133306444520155 }, "delivery": { "n_samples": 59, "mse": 0.8802460472435503, "rmse": 0.9382142864205119, "mae": 0.5970429967362749, "r2": 0.14429625924896194 }, "pdi": { "n_samples": 84, "accuracy": 0.7619047619047619, "precision": 0.6920821114369502, "recall": 0.6920821114369502, "f1": 0.6920821114369502 }, "ee": { "n_samples": 84, "accuracy": 0.6309523809523809, "precision": 0.5623231204626554, "recall": 0.5826043237807944, "f1": 0.5665878644602048 }, "toxic": { "n_samples": 60, "accuracy": 0.9333333333333333, "precision": 0.7142857142857143, "recall": 0.9649122807017544, "f1": 0.7818181818181817 }, "biodist": { "n_samples": 60, "kl_divergence": 0.2555339055765927, "js_divergence": 0.059082110658978844 } } }, { "fold": 4, "best_params": { "dropout": 0.313123672812509, "lr": 0.0009765192272158632, "weight_decay": 0.0053740240978641905, "backbone_lr_ratio": 0.13566938254683006, "d_model": 256, "num_heads": 8, "n_attn_layers": 4, "fusion_strategy": "attention", "head_hidden_dim": 128, "set_transformer_block": "sab" }, "epoch_mean": 13, "test_metrics": { "size": { "n_samples": 84, "mse": 0.6443346713585372, "rmse": 0.8027045978182368, "mae": 0.5012692398380577, "r2": 0.1378001731045243 }, "delivery": { "n_samples": 58, "mse": 1.091911519660062, "rmse": 1.044945701775964, "mae": 0.6530626353904091, "r2": -0.05586041412459375 }, "pdi": { "n_samples": 84, "accuracy": 0.7619047619047619, "precision": 0.711111111111111, "recall": 0.750733137829912, "f1": 0.7214854111405835 }, "ee": { "n_samples": 84, "accuracy": 0.6785714285714286, "precision": 0.6048309178743961, "recall": 0.638034188034188, "f1": 0.6173894191612906 }, "toxic": { "n_samples": 59, "accuracy": 0.9661016949152542, "precision": 0.8, "recall": 0.9821428571428572, "f1": 0.865909090909091 }, "biodist": { "n_samples": 58, "kl_divergence": 0.2916542945348232, "js_divergence": 0.08128207465162181 } } } ], "summary_stats": { "size": { "mse_mean": 0.9567475188815514, "mse_std": 0.569730318457903, "rmse_mean": 0.9332903012787724, "rmse_std": 0.2927742004011441, "mae_mean": 0.5205680313666426, "mae_std": 0.036274021744309826, "r2_mean": 0.024540561758398263, "r2_std": 0.11631746182529404 }, "delivery": { "mse_mean": 0.8436653684732743, "mse_std": 0.2182433415975543, "rmse_mean": 0.9107461299632457, "rmse_std": 0.11919251331457457, "mae_mean": 0.598634821381456, "mae_std": 0.05735289715081742, "r2_mean": 0.1443791660970296, "r2_std": 0.1281061991656446 }, "pdi": { "accuracy_mean": 0.7357142857142857, "accuracy_std": 0.049026810195176206, "precision_mean": 0.6759926072468357, "precision_std": 0.05509185976342328, "recall_mean": 0.6963017219702202, "recall_std": 0.057127965795130256, "f1_mean": 0.6808865768933052, "f1_std": 0.056739009627821094 }, "ee": { "accuracy_mean": 0.6492063492063491, "accuracy_std": 0.05085561696381203, "precision_mean": 0.5942685237048638, "precision_std": 0.05709593570250263, "recall_mean": 0.6220363794313374, "recall_std": 0.07370705460979522, "f1_mean": 0.5954359329832487, "f1_std": 0.0634519507679728 }, "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": 0.31426474045100566, "kl_divergence_std": 0.05350543992895652, "js_divergence_mean": 0.07677535890897173, "js_divergence_std": 0.01482841183016674 } } }