{ "seed": 1007, "data_sha256": "122dfd62dcf8d46ece390ed23335e69cac0d3db8e91479c162d5e4186acdbe0d", "split_hash": "2e38193a038079d66cfb5d17dc149af12a9f63a773a2e48ee21d04bb006250fc", "train_labeled": 290, "eval_labeled": 253, "train_graph_sources": 41, "eval_graph_sources": 22, "n_eval_tasks": 88, "n_preference_decisions": 968, "n_train_steps": 4321, "weights": [ [ 0.0, 1.0 ], [ 0.1, 0.9 ], [ 0.2, 0.8 ], [ 0.30000000000000004, 0.7 ], [ 0.4, 0.6 ], [ 0.5, 0.5 ], [ 0.6000000000000001, 0.3999999999999999 ], [ 0.7000000000000001, 0.29999999999999993 ], [ 0.8, 0.19999999999999996 ], [ 0.9, 0.09999999999999998 ], [ 1.0, 0.0 ] ], "directions": [ [ 1, 1 ], [ 1, -1 ], [ -1, 1 ], [ -1, -1 ] ], "reward_normalization": { "means": { "Egc": 4.71152051724138, "Egb": 4.355880689655172 }, "scales": { "Egc": 1.7042433351636534, "Egb": 1.9775818940554841 }, "clip_sd": 3.0 }, "val_rmse": { "Egc": 0.7008645506457152, "Egb": 0.8116674273473868 }, "results": { "sft": { "n_tasks": 88, "hypervolume": 0.33084177803847103, "mip": 0.5559184806665034, "preference_regret": 0.03199876334899657, "near_optimal": 0.78099173553719, "unique": 2.227272727272727, "tasks": [ { "source": "*=CC(=*)C#N", "directions": [ 1, 1 ], "hypervolume": 0.03759958074925521, "mip": 0.19480731073711421, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 1 }, { "source": "*=CC(=*)C#N", "directions": [ 1, -1 ], "hypervolume": 0.13849122477531003, "mip": 0.481283494787451, "preference_regret": 0.008796775571086279, "near_optimal": 1.0, "unique": 1 }, { "source": "*=CC(=*)C#N", "directions": [ -1, 1 ], "hypervolume": 0.175924235200408, "mip": 0.518716505212549, "preference_regret": 0.01728952495791886, "near_optimal": 0.9090909090909091, "unique": 1 }, { "source": "*=CC(=*)C#N", "directions": [ -1, -1 ], "hypervolume": 0.6479849592750268, "mip": 0.8051926892628859, "preference_regret": 0.04640942607203731, "near_optimal": 0.7272727272727273, "unique": 1 }, { "source": "*=CC=*", "directions": [ 1, 1 ], "hypervolume": 0.03759958074925521, "mip": 0.19480731073711421, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 1 }, { "source": "*=CC=*", "directions": [ 1, -1 ], "hypervolume": 0.13849122477531003, "mip": 0.481283494787451, "preference_regret": 0.008796775571086279, "near_optimal": 1.0, "unique": 1 }, { "source": "*=CC=*", "directions": [ -1, 1 ], "hypervolume": 0.175924235200408, "mip": 0.518716505212549, "preference_regret": 0.01728952495791886, "near_optimal": 0.9090909090909091, "unique": 1 }, { "source": "*=CC=*", "directions": [ -1, -1 ], "hypervolume": 0.6479849592750268, "mip": 0.8051926892628859, "preference_regret": 0.04640942607203731, "near_optimal": 0.7272727272727273, "unique": 1 }, { "source": "*CC(*)(C)C#N", "directions": [ 1, 1 ], "hypervolume": 0.6077986497138269, "mip": 0.7785976320574682, "preference_regret": 0.013966231776622847, "near_optimal": 1.0, "unique": 2 }, { "source": "*CC(*)(C)C#N", "directions": [ 1, -1 ], "hypervolume": 0.32504023261099907, "mip": 0.5456788632191204, "preference_regret": 0.046477548786119156, "near_optimal": 0.7272727272727273, "unique": 5 }, { "source": "*CC(*)(C)C#N", "directions": [ -1, 1 ], "hypervolume": 0.3047701741816659, "mip": 0.5146536343902828, "preference_regret": 0.07429450460560476, "near_optimal": 0.18181818181818182, "unique": 4 }, { "source": "*CC(*)(C)C#N", "directions": [ -1, -1 ], "hypervolume": 0.20728009107484727, "mip": 0.45532317018077717, "preference_regret": 0.05670355196288434, "near_optimal": 0.18181818181818182, "unique": 1 }, { "source": "*CC(*)(C)C(=O)OC(F)(C(F)(F)F)C(F)(F)F", "directions": [ 1, 1 ], "hypervolume": 0.6077986497138269, "mip": 0.7785976320574682, "preference_regret": 0.013966231776622847, "near_optimal": 1.0, "unique": 2 }, { "source": "*CC(*)(C)C(=O)OC(F)(C(F)(F)F)C(F)(F)F", "directions": [ 1, -1 ], "hypervolume": 0.32504023261099907, "mip": 0.5456788632191204, "preference_regret": 0.046477548786119156, "near_optimal": 0.7272727272727273, "unique": 5 }, { "source": "*CC(*)(C)C(=O)OC(F)(C(F)(F)F)C(F)(F)F", "directions": [ -1, 1 ], "hypervolume": 0.3047701741816659, "mip": 0.5092473794089208, "preference_regret": 0.07970075958696671, "near_optimal": 0.18181818181818182, "unique": 4 }, { "source": "*CC(*)(C)C(=O)OC(F)(C(F)(F)F)C(F)(F)F", "directions": [ -1, -1 ], "hypervolume": 0.20728009107484727, "mip": 0.45532317018077717, "preference_regret": 0.05670355196288434, "near_optimal": 0.18181818181818182, "unique": 1 }, { "source": "*CC(*)(C)C(=O)OC1(C)CCOC(=O)C1", "directions": [ 1, 1 ], "hypervolume": 0.6077986497138269, "mip": 0.7785976320574682, "preference_regret": 0.013966231776622847, "near_optimal": 1.0, "unique": 2 }, { "source": "*CC(*)(C)C(=O)OC1(C)CCOC(=O)C1", "directions": [ 1, -1 ], "hypervolume": 0.32504023261099907, "mip": 0.5456788632191204, "preference_regret": 0.046477548786119156, "near_optimal": 0.7272727272727273, "unique": 5 }, { "source": "*CC(*)(C)C(=O)OC1(C)CCOC(=O)C1", "directions": [ -1, 1 ], "hypervolume": 0.3047701741816659, "mip": 0.5092473794089208, "preference_regret": 0.07970075958696671, "near_optimal": 0.18181818181818182, "unique": 4 }, { "source": "*CC(*)(C)C(=O)OC1(C)CCOC(=O)C1", "directions": [ -1, -1 ], "hypervolume": 0.20728009107484727, "mip": 0.45532317018077717, "preference_regret": 0.05670355196288434, "near_optimal": 0.18181818181818182, "unique": 1 }, { "source": "*CC(*)(C)C(=O)OCC", "directions": [ 1, 1 ], "hypervolume": 0.6077986497138269, "mip": 0.7785976320574682, "preference_regret": 0.013966231776622847, "near_optimal": 1.0, "unique": 2 }, { "source": "*CC(*)(C)C(=O)OCC", "directions": [ 1, -1 ], "hypervolume": 0.32504023261099907, "mip": 0.5456788632191204, "preference_regret": 0.046477548786119156, "near_optimal": 0.7272727272727273, "unique": 5 }, { "source": "*CC(*)(C)C(=O)OCC", "directions": [ -1, 1 ], "hypervolume": 0.3047701741816659, "mip": 0.5092473794089208, "preference_regret": 0.07970075958696671, "near_optimal": 0.18181818181818182, "unique": 4 }, { "source": "*CC(*)(C)C(=O)OCC", "directions": [ -1, -1 ], "hypervolume": 0.20728009107484727, "mip": 0.45532317018077717, "preference_regret": 0.05670355196288434, "near_optimal": 0.18181818181818182, "unique": 1 }, { "source": "*CC(*)(C)C(=O)OCC(F)(F)C(F)F", "directions": [ 1, 1 ], "hypervolume": 0.6077986497138269, "mip": 0.7785976320574682, "preference_regret": 0.013966231776622847, "near_optimal": 1.0, "unique": 2 }, { "source": "*CC(*)(C)C(=O)OCC(F)(F)C(F)F", "directions": [ 1, -1 ], "hypervolume": 0.32504023261099907, "mip": 0.5456788632191204, "preference_regret": 0.046477548786119156, "near_optimal": 0.7272727272727273, "unique": 5 }, { "source": "*CC(*)(C)C(=O)OCC(F)(F)C(F)F", "directions": [ -1, 1 ], "hypervolume": 0.3047701741816659, "mip": 0.5092473794089208, "preference_regret": 0.07970075958696671, "near_optimal": 0.18181818181818182, "unique": 4 }, { "source": "*CC(*)(C)C(=O)OCC(F)(F)C(F)F", "directions": [ -1, -1 ], "hypervolume": 0.20728009107484727, "mip": 0.45532317018077717, "preference_regret": 0.05670355196288434, "near_optimal": 0.18181818181818182, "unique": 1 }, { "source": "*CC(*)(C)C(=O)Oc1ccccc1", "directions": [ 1, 1 ], "hypervolume": 0.6077986497138269, "mip": 0.7785976320574682, "preference_regret": 0.013966231776622847, "near_optimal": 1.0, "unique": 2 }, { "source": "*CC(*)(C)C(=O)Oc1ccccc1", "directions": [ 1, -1 ], "hypervolume": 0.32504023261099907, "mip": 0.5456788632191204, "preference_regret": 0.046477548786119156, "near_optimal": 0.7272727272727273, "unique": 5 }, { "source": "*CC(*)(C)C(=O)Oc1ccccc1", "directions": [ -1, 1 ], "hypervolume": 0.3047701741816659, "mip": 0.5092473794089208, "preference_regret": 0.07970075958696671, "near_optimal": 0.18181818181818182, "unique": 4 }, { "source": "*CC(*)(C)C(=O)Oc1ccccc1", "directions": [ -1, -1 ], "hypervolume": 0.20728009107484727, "mip": 0.45532317018077717, "preference_regret": 0.05670355196288434, "near_optimal": 0.18181818181818182, "unique": 1 }, { "source": "*CC(*)C#N", "directions": [ 1, 1 ], "hypervolume": 0.6077986497138269, "mip": 0.7785976320574682, "preference_regret": 0.013966231776622847, "near_optimal": 1.0, "unique": 2 }, { "source": "*CC(*)C#N", "directions": [ 1, -1 ], "hypervolume": 0.31998706550715716, "mip": 0.5652850277348316, "preference_regret": 0.026871384270407958, "near_optimal": 1.0, "unique": 4 }, { "source": "*CC(*)C#N", "directions": [ -1, 1 ], "hypervolume": 0.3186791959598388, "mip": 0.5482281774171226, "preference_regret": 0.040719961578764965, "near_optimal": 0.6363636363636364, "unique": 3 }, { "source": "*CC(*)C#N", "directions": [ -1, -1 ], "hypervolume": 0.21963163530406757, "mip": 0.46869231542063444, "preference_regret": 0.04333440672302704, "near_optimal": 1.0, "unique": 1 }, { "source": "*CC(*)C(=O)Nc1ccccc1Cl", "directions": [ 1, 1 ], "hypervolume": 0.6077986497138269, "mip": 0.7785976320574682, "preference_regret": 0.013966231776622847, "near_optimal": 1.0, "unique": 2 }, { "source": "*CC(*)C(=O)Nc1ccccc1Cl", "directions": [ 1, -1 ], "hypervolume": 0.31998706550715716, "mip": 0.5652850277348316, "preference_regret": 0.026871384270407958, "near_optimal": 1.0, "unique": 4 }, { "source": "*CC(*)C(=O)Nc1ccccc1Cl", "directions": [ -1, 1 ], "hypervolume": 0.3186791959598388, "mip": 0.5482281774171226, "preference_regret": 0.040719961578764965, "near_optimal": 0.6363636363636364, "unique": 3 }, { "source": "*CC(*)C(=O)Nc1ccccc1Cl", "directions": [ -1, -1 ], "hypervolume": 0.21963163530406757, "mip": 0.46869231542063444, "preference_regret": 0.04333440672302704, "near_optimal": 1.0, "unique": 1 }, { "source": "*CC(*)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F", "directions": [ 1, 1 ], "hypervolume": 0.6077986497138269, "mip": 0.7785976320574682, "preference_regret": 0.013966231776622847, "near_optimal": 1.0, "unique": 2 }, { "source": "*CC(*)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F", "directions": [ 1, -1 ], "hypervolume": 0.31998706550715716, "mip": 0.5652850277348316, "preference_regret": 0.026871384270407958, "near_optimal": 1.0, "unique": 4 }, { "source": "*CC(*)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F", "directions": [ -1, 1 ], "hypervolume": 0.3186791959598388, "mip": 0.5482281774171226, "preference_regret": 0.040719961578764965, "near_optimal": 0.6363636363636364, "unique": 3 }, { "source": "*CC(*)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F", "directions": [ -1, -1 ], "hypervolume": 0.21963163530406757, "mip": 0.46869231542063444, "preference_regret": 0.04333440672302704, "near_optimal": 1.0, "unique": 1 }, { "source": "*CC(*)C(=O)OCC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F", "directions": [ 1, 1 ], "hypervolume": 0.6077986497138269, "mip": 0.7785976320574682, "preference_regret": 0.013966231776622847, "near_optimal": 1.0, "unique": 2 }, { "source": "*CC(*)C(=O)OCC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F", "directions": [ 1, -1 ], "hypervolume": 0.31998706550715716, "mip": 0.5652850277348316, "preference_regret": 0.026871384270407958, "near_optimal": 1.0, "unique": 4 }, { "source": "*CC(*)C(=O)OCC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F", "directions": [ -1, 1 ], "hypervolume": 0.3186791959598388, "mip": 0.5482281774171226, "preference_regret": 0.040719961578764965, "near_optimal": 0.6363636363636364, "unique": 3 }, { "source": "*CC(*)C(=O)OCC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F", "directions": [ -1, -1 ], "hypervolume": 0.21963163530406757, "mip": 0.46869231542063444, "preference_regret": 0.04333440672302704, "near_optimal": 1.0, "unique": 1 }, { "source": "*CC(*)C(N)=O", "directions": [ 1, 1 ], "hypervolume": 0.6077986497138269, "mip": 0.7785976320574682, "preference_regret": 0.013966231776622847, "near_optimal": 1.0, "unique": 2 }, { "source": "*CC(*)C(N)=O", "directions": [ 1, -1 ], "hypervolume": 0.31998706550715716, "mip": 0.5652850277348316, "preference_regret": 0.026871384270407958, "near_optimal": 1.0, "unique": 4 }, { "source": "*CC(*)C(N)=O", "directions": [ -1, 1 ], "hypervolume": 0.3186791959598388, "mip": 0.5482281774171226, "preference_regret": 0.040719961578764965, "near_optimal": 0.6363636363636364, "unique": 3 }, { "source": "*CC(*)C(N)=O", "directions": [ -1, -1 ], "hypervolume": 0.21963163530406757, "mip": 0.46869231542063444, "preference_regret": 0.04333440672302704, "near_optimal": 1.0, "unique": 1 }, { "source": "*CC(*)OC(=O)OCC(F)(F)F", "directions": [ 1, 1 ], "hypervolume": 0.6077986497138269, "mip": 0.7785976320574682, "preference_regret": 0.013966231776622847, "near_optimal": 1.0, "unique": 2 }, { "source": "*CC(*)OC(=O)OCC(F)(F)F", "directions": [ 1, -1 ], "hypervolume": 0.31998706550715716, "mip": 0.5652850277348316, "preference_regret": 0.026871384270407958, "near_optimal": 1.0, "unique": 4 }, { "source": "*CC(*)OC(=O)OCC(F)(F)F", "directions": [ -1, 1 ], "hypervolume": 0.3186791959598388, "mip": 0.5482281774171226, "preference_regret": 0.040719961578764965, "near_optimal": 0.6363636363636364, "unique": 3 }, { "source": "*CC(*)OC(=O)OCC(F)(F)F", "directions": [ -1, -1 ], "hypervolume": 0.21963163530406757, "mip": 0.46869231542063444, "preference_regret": 0.04333440672302704, "near_optimal": 1.0, "unique": 1 }, { "source": "*CC(*)c1ccc(C(=O)OCC(C)C)cc1", "directions": [ 1, 1 ], "hypervolume": 0.6077986497138269, "mip": 0.7785976320574682, "preference_regret": 0.013966231776622847, "near_optimal": 1.0, "unique": 2 }, { "source": "*CC(*)c1ccc(C(=O)OCC(C)C)cc1", "directions": [ 1, -1 ], "hypervolume": 0.31998706550715716, "mip": 0.5652850277348316, "preference_regret": 0.026871384270407958, "near_optimal": 1.0, "unique": 4 }, { "source": "*CC(*)c1ccc(C(=O)OCC(C)C)cc1", "directions": [ -1, 1 ], "hypervolume": 0.3186791959598388, "mip": 0.5482281774171226, "preference_regret": 0.040719961578764965, "near_optimal": 0.6363636363636364, "unique": 3 }, { "source": "*CC(*)c1ccc(C(=O)OCC(C)C)cc1", "directions": [ -1, -1 ], "hypervolume": 0.21963163530406757, "mip": 0.46869231542063444, "preference_regret": 0.04333440672302704, "near_optimal": 1.0, "unique": 1 }, { "source": "*CC(*)c1ccccc1", "directions": [ 1, 1 ], "hypervolume": 0.6077986497138269, "mip": 0.7785976320574682, "preference_regret": 0.013966231776622847, "near_optimal": 1.0, "unique": 2 }, { "source": "*CC(*)c1ccccc1", "directions": [ 1, -1 ], "hypervolume": 0.31998706550715716, "mip": 0.5652850277348316, "preference_regret": 0.026871384270407958, "near_optimal": 1.0, "unique": 4 }, { "source": "*CC(*)c1ccccc1", "directions": [ -1, 1 ], "hypervolume": 0.3186791959598388, "mip": 0.5482281774171226, "preference_regret": 0.040719961578764965, "near_optimal": 0.6363636363636364, "unique": 3 }, { "source": "*CC(*)c1ccccc1", "directions": [ -1, -1 ], "hypervolume": 0.21963163530406757, "mip": 0.46869231542063444, "preference_regret": 0.04333440672302704, "near_optimal": 1.0, "unique": 1 }, { "source": "*CCC(F)(F)C(*)(F)Cl", "directions": [ 1, 1 ], "hypervolume": 0.8022215202881074, "mip": 0.8593922151611644, "preference_regret": 0.03630175088486997, "near_optimal": 0.6363636363636364, "unique": 2 }, { "source": "*CCC(F)(F)C(*)(F)Cl", "directions": [ 1, -1 ], "hypervolume": 0.1972850399436725, "mip": 0.4741398698560851, "preference_regret": 0.06324068115067459, "near_optimal": 0.45454545454545453, "unique": 2 }, { "source": "*CCC(F)(F)C(*)(F)Cl", "directions": [ -1, 1 ], "hypervolume": 0.10026659935988984, "mip": 0.5067941536019629, "preference_regret": 0.021158370547516278, "near_optimal": 0.8181818181818182, "unique": 1 }, { "source": "*CCC(F)(F)C(*)(F)Cl", "directions": [ -1, -1 ], "hypervolume": 0.010833588196038784, "mip": 0.1043060339539657, "preference_regret": 0.11594124877623678, "near_optimal": 0.0, "unique": 1 }, { "source": "*CCC(F)(F)C(*)(F)F", "directions": [ 1, 1 ], "hypervolume": 0.8022215202881074, "mip": 0.8593922151611644, "preference_regret": 0.03630175088486997, "near_optimal": 0.6363636363636364, "unique": 2 }, { "source": "*CCC(F)(F)C(*)(F)F", "directions": [ 1, -1 ], "hypervolume": 0.1972850399436725, "mip": 0.4741398698560851, "preference_regret": 0.06324068115067459, "near_optimal": 0.45454545454545453, "unique": 2 }, { "source": "*CCC(F)(F)C(*)(F)F", "directions": [ -1, 1 ], "hypervolume": 0.10026659935988984, "mip": 0.5067941536019629, "preference_regret": 0.021158370547516278, "near_optimal": 0.8181818181818182, "unique": 1 }, { "source": "*CCC(F)(F)C(*)(F)F", "directions": [ -1, -1 ], "hypervolume": 0.010833588196038784, "mip": 0.1043060339539657, "preference_regret": 0.11594124877623678, "near_optimal": 0.0, "unique": 1 }, { "source": "*OC(CC(*)=O)C1CO1", "directions": [ 1, 1 ], "hypervolume": 0.4558267416121515, "mip": 0.6755918520518911, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 1 }, { "source": "*OC(CC(*)=O)C1CO1", "directions": [ 1, -1 ], "hypervolume": 0.27349945785921453, "mip": 0.5338249788112166, "preference_regret": 0.000735078107822544, "near_optimal": 1.0, "unique": 2 }, { "source": "*OC(CC(*)=O)C1CO1", "directions": [ -1, 1 ], "hypervolume": 0.2460077671494898, "mip": 0.5034251531029708, "preference_regret": 0.00046053905089427083, "near_optimal": 1.0, "unique": 2 }, { "source": "*OC(CC(*)=O)C1CO1", "directions": [ -1, -1 ], "hypervolume": 0.15219156741785123, "mip": 0.39016709167753394, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 1 }, { "source": "*OC(CCCCCCC=C)CC(*)=O", "directions": [ 1, 1 ], "hypervolume": 0.4558267416121515, "mip": 0.6755918520518911, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 1 }, { "source": "*OC(CCCCCCC=C)CC(*)=O", "directions": [ 1, -1 ], "hypervolume": 0.27349945785921453, "mip": 0.5338249788112166, "preference_regret": 0.000735078107822544, "near_optimal": 1.0, "unique": 2 }, { "source": "*OC(CCCCCCC=C)CC(*)=O", "directions": [ -1, 1 ], "hypervolume": 0.2460077671494898, "mip": 0.5034251531029708, "preference_regret": 0.00046053905089427083, "near_optimal": 1.0, "unique": 2 }, { "source": "*OC(CCCCCCC=C)CC(*)=O", "directions": [ -1, -1 ], "hypervolume": 0.15219156741785123, "mip": 0.39016709167753394, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 1 }, { "source": "*OCC(*)C", "directions": [ 1, 1 ], "hypervolume": 0.5305178091034434, "mip": 0.7256813161843634, "preference_regret": 0.003260026658359359, "near_optimal": 1.0, "unique": 2 }, { "source": "*OCC(*)C", "directions": [ 1, -1 ], "hypervolume": 0.19105898232141436, "mip": 0.4763580805573542, "preference_regret": 0.0008212157394018593, "near_optimal": 1.0, "unique": 2 }, { "source": "*OCC(*)C", "directions": [ -1, 1 ], "hypervolume": 0.2875643399628512, "mip": 0.560149574329264, "preference_regret": 0.006121863596641827, "near_optimal": 1.0, "unique": 1 }, { "source": "*OCC(*)C", "directions": [ -1, -1 ], "hypervolume": 0.11071119179502152, "mip": 0.33812595742860857, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 1 }, { "source": "*OCC(*)C(F)(F)F", "directions": [ 1, 1 ], "hypervolume": 0.5305178091034434, "mip": 0.7256813161843634, "preference_regret": 0.003260026658359359, "near_optimal": 1.0, "unique": 2 }, { "source": "*OCC(*)C(F)(F)F", "directions": [ 1, -1 ], "hypervolume": 0.19105898232141436, "mip": 0.4763580805573542, "preference_regret": 0.0008212157394018593, "near_optimal": 1.0, "unique": 2 }, { "source": "*OCC(*)C(F)(F)F", "directions": [ -1, 1 ], "hypervolume": 0.2875643399628512, "mip": 0.560149574329264, "preference_regret": 0.006121863596641827, "near_optimal": 1.0, "unique": 1 }, { "source": "*OCC(*)C(F)(F)F", "directions": [ -1, -1 ], "hypervolume": 0.11071119179502152, "mip": 0.33812595742860857, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 1 } ] }, "random": { "n_tasks": 88, "hypervolume": 0.32370102863167954, "mip": 0.5, "preference_regret": 0.08791724401549995, "near_optimal": 0.43595041322314043, "unique": 4.136363636363637, "tasks": [ { "source": "*=CC(=*)C#N", "directions": [ 1, 1 ], "hypervolume": 0.03759958074925521, "mip": 0.19480731073711421, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 1 }, { "source": "*=CC(=*)C#N", "directions": [ 1, -1 ], "hypervolume": 0.13849122477531003, "mip": 0.481283494787451, "preference_regret": 0.008796775571086279, "near_optimal": 1.0, "unique": 1 }, { "source": "*=CC(=*)C#N", "directions": [ -1, 1 ], "hypervolume": 0.175924235200408, "mip": 0.518716505212549, "preference_regret": 0.01728952495791886, "near_optimal": 0.9090909090909091, "unique": 1 }, { "source": "*=CC(=*)C#N", "directions": [ -1, -1 ], "hypervolume": 0.6479849592750268, "mip": 0.8051926892628859, "preference_regret": 0.04640942607203731, "near_optimal": 0.7272727272727273, "unique": 1 }, { "source": "*=CC=*", "directions": [ 1, 1 ], "hypervolume": 0.02128158863721551, "mip": 0.14839788466507695, "preference_regret": 0.04640942607203729, "near_optimal": 0.7272727272727273, "unique": 1 }, { "source": "*=CC=*", "directions": [ 1, -1 ], "hypervolume": 0.09990704142847989, "mip": 0.47279074540061844, "preference_regret": 0.017289524957918845, "near_optimal": 0.9090909090909091, "unique": 1 }, { "source": "*=CC=*", "directions": [ -1, 1 ], "hypervolume": 0.15432555062724299, "mip": 0.5272092545993815, "preference_regret": 0.008796775571086273, "near_optimal": 1.0, "unique": 1 }, { "source": "*=CC=*", "directions": [ -1, -1 ], "hypervolume": 0.7244858193070617, "mip": 0.8516021153349231, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 1 }, { "source": "*CC(*)(C)C#N", "directions": [ 1, 1 ], "hypervolume": 0.5801978197957494, "mip": 0.6906263522729712, "preference_regret": 0.10193751156111991, "near_optimal": 0.36363636363636365, "unique": 6 }, { "source": "*CC(*)(C)C#N", "directions": [ 1, -1 ], "hypervolume": 0.3293896064019364, "mip": 0.4976444779095129, "preference_regret": 0.09451193409572657, "near_optimal": 0.2727272727272727, "unique": 6 }, { "source": "*CC(*)(C)C#N", "directions": [ -1, 1 ], "hypervolume": 0.30335880730314824, "mip": 0.5023555220904871, "preference_regret": 0.0865926169054005, "near_optimal": 0.2727272727272727, "unique": 6 }, { "source": "*CC(*)(C)C#N", "directions": [ -1, -1 ], "hypervolume": 0.20728009107484727, "mip": 0.30937364772702886, "preference_regret": 0.20265307441663263, "near_optimal": 0.0, "unique": 6 }, { "source": "*CC(*)(C)C(=O)OC(F)(C(F)(F)F)C(F)(F)F", "directions": [ 1, 1 ], "hypervolume": 0.5801978197957494, "mip": 0.6431590567760618, "preference_regret": 0.14940480705802928, "near_optimal": 0.0, "unique": 6 }, { "source": "*CC(*)(C)C(=O)OC(F)(C(F)(F)F)C(F)(F)F", "directions": [ 1, -1 ], "hypervolume": 0.3329668203237238, "mip": 0.4973786908397575, "preference_regret": 0.09477772116548201, "near_optimal": 0.18181818181818182, "unique": 6 }, { "source": "*CC(*)(C)C(=O)OC(F)(C(F)(F)F)C(F)(F)F", "directions": [ -1, 1 ], "hypervolume": 0.3025584165186217, "mip": 0.5026213091602425, "preference_regret": 0.08632682983564505, "near_optimal": 0.2727272727272727, "unique": 6 }, { "source": "*CC(*)(C)C(=O)OC(F)(C(F)(F)F)C(F)(F)F", "directions": [ -1, -1 ], "hypervolume": 0.20728009107484727, "mip": 0.35684094322393817, "preference_regret": 0.15518577891972332, "near_optimal": 0.0, "unique": 6 }, { "source": "*CC(*)(C)C(=O)OC1(C)CCOC(=O)C1", "directions": [ 1, 1 ], "hypervolume": 0.5801978197957494, "mip": 0.6230502711781651, "preference_regret": 0.169513592655926, "near_optimal": 0.09090909090909091, "unique": 6 }, { "source": "*CC(*)(C)C(=O)OC1(C)CCOC(=O)C1", "directions": [ 1, -1 ], "hypervolume": 0.3333472747924616, "mip": 0.53626573808236, "preference_regret": 0.05589067392287956, "near_optimal": 0.45454545454545453, "unique": 6 }, { "source": "*CC(*)(C)C(=O)OC1(C)CCOC(=O)C1", "directions": [ -1, 1 ], "hypervolume": 0.31629830731679515, "mip": 0.46373426191764006, "preference_regret": 0.1252138770782475, "near_optimal": 0.18181818181818182, "unique": 6 }, { "source": "*CC(*)(C)C(=O)OC1(C)CCOC(=O)C1", "directions": [ -1, -1 ], "hypervolume": 0.21963163530406757, "mip": 0.37694972882183486, "preference_regret": 0.13507699332182657, "near_optimal": 0.2727272727272727, "unique": 6 }, { "source": "*CC(*)(C)C(=O)OCC", "directions": [ 1, 1 ], "hypervolume": 0.43926594546885556, "mip": 0.6179995752710066, "preference_regret": 0.1745642885630845, "near_optimal": 0.0, "unique": 5 }, { "source": "*CC(*)(C)C(=O)OCC", "directions": [ 1, -1 ], "hypervolume": 0.3018464207310672, "mip": 0.49871759476377053, "preference_regret": 0.09343881724146903, "near_optimal": 0.45454545454545453, "unique": 5 }, { "source": "*CC(*)(C)C(=O)OCC", "directions": [ -1, 1 ], "hypervolume": 0.2855028010382045, "mip": 0.5012824052362296, "preference_regret": 0.08766573375965804, "near_optimal": 0.36363636363636365, "unique": 5 }, { "source": "*CC(*)(C)C(=O)OCC", "directions": [ -1, -1 ], "hypervolume": 0.20728009107484727, "mip": 0.3820004247289935, "preference_regret": 0.1300262974146681, "near_optimal": 0.0, "unique": 5 }, { "source": "*CC(*)(C)C(=O)OCC(F)(F)C(F)F", "directions": [ 1, 1 ], "hypervolume": 0.5801978197957494, "mip": 0.6599538121173683, "preference_regret": 0.13261005171672283, "near_optimal": 0.09090909090909091, "unique": 5 }, { "source": "*CC(*)(C)C(=O)OCC(F)(F)C(F)F", "directions": [ 1, -1 ], "hypervolume": 0.30573488768747153, "mip": 0.4961056199383467, "preference_regret": 0.0960507920668928, "near_optimal": 0.2727272727272727, "unique": 5 }, { "source": "*CC(*)(C)C(=O)OCC(F)(F)C(F)F", "directions": [ -1, 1 ], "hypervolume": 0.2578804519441092, "mip": 0.5038943800616534, "preference_regret": 0.08505375893423428, "near_optimal": 0.2727272727272727, "unique": 5 }, { "source": "*CC(*)(C)C(=O)OCC(F)(F)C(F)F", "directions": [ -1, -1 ], "hypervolume": 0.1493126298063535, "mip": 0.3400461878826317, "preference_regret": 0.17198053426102977, "near_optimal": 0.0, "unique": 5 }, { "source": "*CC(*)(C)C(=O)Oc1ccccc1", "directions": [ 1, 1 ], "hypervolume": 0.5801978197957494, "mip": 0.6547397910517051, "preference_regret": 0.13782407278238604, "near_optimal": 0.09090909090909091, "unique": 5 }, { "source": "*CC(*)(C)C(=O)Oc1ccccc1", "directions": [ 1, -1 ], "hypervolume": 0.30573488768747153, "mip": 0.49784009094553733, "preference_regret": 0.09431632105970228, "near_optimal": 0.2727272727272727, "unique": 5 }, { "source": "*CC(*)(C)C(=O)Oc1ccccc1", "directions": [ -1, 1 ], "hypervolume": 0.2578804519441092, "mip": 0.5021599090544627, "preference_regret": 0.08678822994142478, "near_optimal": 0.2727272727272727, "unique": 5 }, { "source": "*CC(*)(C)C(=O)Oc1ccccc1", "directions": [ -1, -1 ], "hypervolume": 0.1493126298063535, "mip": 0.34526020894829496, "preference_regret": 0.16676651319536653, "near_optimal": 0.0, "unique": 5 }, { "source": "*CC(*)C#N", "directions": [ 1, 1 ], "hypervolume": 0.6077986497138269, "mip": 0.6385802029604214, "preference_regret": 0.15398366087366974, "near_optimal": 0.18181818181818182, "unique": 6 }, { "source": "*CC(*)C#N", "directions": [ 1, -1 ], "hypervolume": 0.33629464125908065, "mip": 0.4888254393067086, "preference_regret": 0.10333097269853099, "near_optimal": 0.45454545454545453, "unique": 6 }, { "source": "*CC(*)C#N", "directions": [ -1, 1 ], "hypervolume": 0.31929501944738564, "mip": 0.5111745606932915, "preference_regret": 0.07777357830259611, "near_optimal": 0.36363636363636365, "unique": 6 }, { "source": "*CC(*)C#N", "directions": [ -1, -1 ], "hypervolume": 0.21963163530406757, "mip": 0.3614197970395786, "preference_regret": 0.15060692510408286, "near_optimal": 0.09090909090909091, "unique": 6 }, { "source": "*CC(*)C(=O)Nc1ccccc1Cl", "directions": [ 1, 1 ], "hypervolume": 0.6199722206684749, "mip": 0.6386842618828423, "preference_regret": 0.15387960195124864, "near_optimal": 0.18181818181818182, "unique": 6 }, { "source": "*CC(*)C(=O)Nc1ccccc1Cl", "directions": [ 1, -1 ], "hypervolume": 0.3495431761800716, "mip": 0.49308624291356273, "preference_regret": 0.09907016909167678, "near_optimal": 0.36363636363636365, "unique": 6 }, { "source": "*CC(*)C(=O)Nc1ccccc1Cl", "directions": [ -1, 1 ], "hypervolume": 0.3491462128429116, "mip": 0.5069137570864374, "preference_regret": 0.08203438190945032, "near_optimal": 0.36363636363636365, "unique": 6 }, { "source": "*CC(*)C(=O)Nc1ccccc1Cl", "directions": [ -1, -1 ], "hypervolume": 0.2621651736528058, "mip": 0.3613157381171575, "preference_regret": 0.15071098402650399, "near_optimal": 0.2727272727272727, "unique": 6 }, { "source": "*CC(*)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F", "directions": [ 1, 1 ], "hypervolume": 0.47752398181566746, "mip": 0.5882194311968916, "preference_regret": 0.20434443263719962, "near_optimal": 0.0, "unique": 6 }, { "source": "*CC(*)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F", "directions": [ 1, -1 ], "hypervolume": 0.3389394269328579, "mip": 0.49343339060185215, "preference_regret": 0.09872302140338741, "near_optimal": 0.36363636363636365, "unique": 6 }, { "source": "*CC(*)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F", "directions": [ -1, 1 ], "hypervolume": 0.3206032930765382, "mip": 0.5065666093981478, "preference_regret": 0.08238152959773969, "near_optimal": 0.36363636363636365, "unique": 6 }, { "source": "*CC(*)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F", "directions": [ -1, -1 ], "hypervolume": 0.2621651736528058, "mip": 0.4117805688031085, "preference_regret": 0.10024615334055298, "near_optimal": 0.36363636363636365, "unique": 6 }, { "source": "*CC(*)C(=O)OCC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F", "directions": [ 1, 1 ], "hypervolume": 0.6376813530893083, "mip": 0.6597450588990306, "preference_regret": 0.13281880493506054, "near_optimal": 0.36363636363636365, "unique": 6 }, { "source": "*CC(*)C(=O)OCC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F", "directions": [ 1, -1 ], "hypervolume": 0.35748945366749435, "mip": 0.5448748023645712, "preference_regret": 0.04728160964066834, "near_optimal": 0.6363636363636364, "unique": 6 }, { "source": "*CC(*)C(=O)OCC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F", "directions": [ -1, 1 ], "hypervolume": 0.3442306483399986, "mip": 0.45512519763542875, "preference_regret": 0.1338229413604588, "near_optimal": 0.18181818181818182, "unique": 6 }, { "source": "*CC(*)C(=O)OCC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F", "directions": [ -1, -1 ], "hypervolume": 0.2621651736528058, "mip": 0.34025494110096943, "preference_regret": 0.17177178104269208, "near_optimal": 0.2727272727272727, "unique": 6 }, { "source": "*CC(*)C(N)=O", "directions": [ 1, 1 ], "hypervolume": 0.6199722206684749, "mip": 0.6438891209138117, "preference_regret": 0.14867474292027946, "near_optimal": 0.18181818181818182, "unique": 6 }, { "source": "*CC(*)C(N)=O", "directions": [ 1, -1 ], "hypervolume": 0.3495431761800716, "mip": 0.5114718762382454, "preference_regret": 0.08068453576699404, "near_optimal": 0.5454545454545454, "unique": 6 }, { "source": "*CC(*)C(N)=O", "directions": [ -1, 1 ], "hypervolume": 0.3491462128429116, "mip": 0.4885281237617546, "preference_regret": 0.10042001523413306, "near_optimal": 0.18181818181818182, "unique": 6 }, { "source": "*CC(*)C(N)=O", "directions": [ -1, -1 ], "hypervolume": 0.2621651736528058, "mip": 0.35611087908618827, "preference_regret": 0.15591584305747316, "near_optimal": 0.2727272727272727, "unique": 6 }, { "source": "*CC(*)OC(=O)OCC(F)(F)F", "directions": [ 1, 1 ], "hypervolume": 0.6376813530893083, "mip": 0.6489746560001137, "preference_regret": 0.14358920783397727, "near_optimal": 0.2727272727272727, "unique": 7 }, { "source": "*CC(*)OC(=O)OCC(F)(F)F", "directions": [ 1, -1 ], "hypervolume": 0.35651009675138295, "mip": 0.4987097805369684, "preference_regret": 0.0934466314682711, "near_optimal": 0.36363636363636365, "unique": 7 }, { "source": "*CC(*)OC(=O)OCC(F)(F)F", "directions": [ -1, 1 ], "hypervolume": 0.3489378469187207, "mip": 0.5012902194630316, "preference_regret": 0.08765791953285597, "near_optimal": 0.5454545454545454, "unique": 7 }, { "source": "*CC(*)OC(=O)OCC(F)(F)F", "directions": [ -1, -1 ], "hypervolume": 0.2621651736528058, "mip": 0.3510253439998862, "preference_regret": 0.16100137814377535, "near_optimal": 0.2727272727272727, "unique": 7 }, { "source": "*CC(*)c1ccc(C(=O)OCC(C)C)cc1", "directions": [ 1, 1 ], "hypervolume": 0.6376813530893083, "mip": 0.6641978458638781, "preference_regret": 0.1283660179702129, "near_optimal": 0.2727272727272727, "unique": 6 }, { "source": "*CC(*)c1ccc(C(=O)OCC(C)C)cc1", "directions": [ 1, -1 ], "hypervolume": 0.3335768320808631, "mip": 0.47331127606100315, "preference_regret": 0.11884513594423642, "near_optimal": 0.2727272727272727, "unique": 6 }, { "source": "*CC(*)c1ccc(C(=O)OCC(C)C)cc1", "directions": [ -1, 1 ], "hypervolume": 0.32959847062693426, "mip": 0.5266887239389969, "preference_regret": 0.06225941505689068, "near_optimal": 0.5454545454545454, "unique": 6 }, { "source": "*CC(*)c1ccc(C(=O)OCC(C)C)cc1", "directions": [ -1, -1 ], "hypervolume": 0.21963163530406757, "mip": 0.33580215413612174, "preference_regret": 0.17622456800753972, "near_optimal": 0.18181818181818182, "unique": 6 }, { "source": "*CC(*)c1ccccc1", "directions": [ 1, 1 ], "hypervolume": 0.6376813530893083, "mip": 0.6459145353790432, "preference_regret": 0.1466493284550479, "near_optimal": 0.36363636363636365, "unique": 7 }, { "source": "*CC(*)c1ccccc1", "directions": [ 1, -1 ], "hypervolume": 0.35239300875133467, "mip": 0.5179139181241065, "preference_regret": 0.0742424938811331, "near_optimal": 0.45454545454545453, "unique": 7 }, { "source": "*CC(*)c1ccccc1", "directions": [ -1, 1 ], "hypervolume": 0.34934485966255846, "mip": 0.48208608187589364, "preference_regret": 0.10686205711999404, "near_optimal": 0.45454545454545453, "unique": 7 }, { "source": "*CC(*)c1ccccc1", "directions": [ -1, -1 ], "hypervolume": 0.2621651736528058, "mip": 0.35408546462095675, "preference_regret": 0.15794125752270471, "near_optimal": 0.2727272727272727, "unique": 7 }, { "source": "*CCC(F)(F)C(*)(F)Cl", "directions": [ 1, 1 ], "hypervolume": 0.8022215202881074, "mip": 0.8956939660460342, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 1 }, { "source": "*CCC(F)(F)C(*)(F)Cl", "directions": [ 1, -1 ], "hypervolume": 0.08667829215596405, "mip": 0.49320584639803716, "preference_regret": 0.04417470460872252, "near_optimal": 0.6363636363636364, "unique": 1 }, { "source": "*CCC(F)(F)C(*)(F)Cl", "directions": [ -1, 1 ], "hypervolume": 0.10026659935988984, "mip": 0.5067941536019629, "preference_regret": 0.021158370547516278, "near_optimal": 0.8181818181818182, "unique": 1 }, { "source": "*CCC(F)(F)C(*)(F)Cl", "directions": [ -1, -1 ], "hypervolume": 0.010833588196038784, "mip": 0.1043060339539657, "preference_regret": 0.11594124877623678, "near_optimal": 0.0, "unique": 1 }, { "source": "*CCC(F)(F)C(*)(F)F", "directions": [ 1, 1 ], "hypervolume": 0.6077511409507805, "mip": 0.7797527172697976, "preference_regret": 0.1159412487762368, "near_optimal": 0.0, "unique": 1 }, { "source": "*CCC(F)(F)C(*)(F)F", "directions": [ 1, -1 ], "hypervolume": 0.1882237567782604, "mip": 0.5162221804592434, "preference_regret": 0.021158370547516268, "near_optimal": 0.8181818181818182, "unique": 1 }, { "source": "*CCC(F)(F)C(*)(F)F", "directions": [ -1, 1 ], "hypervolume": 0.15577939585977363, "mip": 0.4837778195407566, "preference_regret": 0.044174704608722554, "near_optimal": 0.6363636363636364, "unique": 1 }, { "source": "*CCC(F)(F)C(*)(F)F", "directions": [ -1, -1 ], "hypervolume": 0.0482457064111855, "mip": 0.22024728273020247, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 1 }, { "source": "*OC(CC(*)=O)C1CO1", "directions": [ 1, 1 ], "hypervolume": 0.37185738406278335, "mip": 0.6098329083224661, "preference_regret": 0.06575894372942502, "near_optimal": 0.09090909090909091, "unique": 1 }, { "source": "*OC(CC(*)=O)C1CO1", "directions": [ 1, -1 ], "hypervolume": 0.2442038474894087, "mip": 0.506228323229726, "preference_regret": 0.028331733689313143, "near_optimal": 0.7272727272727273, "unique": 1 }, { "source": "*OC(CC(*)=O)C1CO1", "directions": [ -1, 1 ], "hypervolume": 0.23174720102995672, "mip": 0.493771676770274, "preference_regret": 0.010114015383591085, "near_optimal": 1.0, "unique": 1 }, { "source": "*OC(CC(*)=O)C1CO1", "directions": [ -1, -1 ], "hypervolume": 0.15219156741785123, "mip": 0.39016709167753394, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 1 }, { "source": "*OC(CCCCCCC=C)CC(*)=O", "directions": [ 1, 1 ], "hypervolume": 0.4558267416121515, "mip": 0.6755918520518911, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 1 }, { "source": "*OC(CCCCCCC=C)CC(*)=O", "directions": [ 1, -1 ], "hypervolume": 0.24421115197518764, "mip": 0.524446041535448, "preference_regret": 0.010114015383591095, "near_optimal": 1.0, "unique": 1 }, { "source": "*OC(CCCCCCC=C)CC(*)=O", "directions": [ -1, 1 ], "hypervolume": 0.19531906890429163, "mip": 0.4755539584645519, "preference_regret": 0.02833173368931311, "near_optimal": 0.7272727272727273, "unique": 1 }, { "source": "*OC(CCCCCCC=C)CC(*)=O", "directions": [ -1, -1 ], "hypervolume": 0.10464303750836927, "mip": 0.32440814794810885, "preference_regret": 0.06575894372942502, "near_optimal": 0.09090909090909091, "unique": 1 }, { "source": "*OCC(*)C", "directions": [ 1, 1 ], "hypervolume": 0.5305178091034434, "mip": 0.7289413428427227, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 1 }, { "source": "*OCC(*)C", "directions": [ 1, -1 ], "hypervolume": 0.16948096643939348, "mip": 0.4710574327001141, "preference_regret": 0.0061218635966418244, "near_optimal": 1.0, "unique": 1 }, { "source": "*OCC(*)C", "directions": [ -1, 1 ], "hypervolume": 0.22736610103916519, "mip": 0.5289425672998859, "preference_regret": 0.037328870626020146, "near_optimal": 0.6363636363636364, "unique": 1 }, { "source": "*OCC(*)C", "directions": [ -1, -1 ], "hypervolume": 0.07263512341799798, "mip": 0.2710586571572773, "preference_regret": 0.06706730027133125, "near_optimal": 0.2727272727272727, "unique": 1 }, { "source": "*OCC(*)C(F)(F)F", "directions": [ 1, 1 ], "hypervolume": 0.43445927693780445, "mip": 0.6618740425713915, "preference_regret": 0.06706730027133125, "near_optimal": 0.2727272727272727, "unique": 1 }, { "source": "*OCC(*)C(F)(F)F", "directions": [ 1, -1 ], "hypervolume": 0.16726519130432285, "mip": 0.4398504256707359, "preference_regret": 0.03732887062602013, "near_optimal": 0.6363636363636364, "unique": 1 }, { "source": "*OCC(*)C(F)(F)F", "directions": [ -1, 1 ], "hypervolume": 0.2875643399628512, "mip": 0.560149574329264, "preference_regret": 0.006121863596641827, "near_optimal": 1.0, "unique": 1 }, { "source": "*OCC(*)C(F)(F)F", "directions": [ -1, -1 ], "hypervolume": 0.11071119179502152, "mip": 0.33812595742860857, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 1 } ] }, "greedy_verifier": { "n_tasks": 88, "hypervolume": 0.33465834500852537, "mip": 0.5658435275980923, "preference_regret": 0.02207371641740771, "near_optimal": 0.8181818181818182, "unique": 2.0454545454545454, "tasks": [ { "source": "*=CC(=*)C#N", "directions": [ 1, 1 ], "hypervolume": 0.03759958074925521, "mip": 0.19480731073711421, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 1 }, { "source": "*=CC(=*)C#N", "directions": [ 1, -1 ], "hypervolume": 0.1430862948794339, "mip": 0.4819291513736486, "preference_regret": 0.008151118984888643, "near_optimal": 1.0, "unique": 2 }, { "source": "*=CC(=*)C#N", "directions": [ -1, 1 ], "hypervolume": 0.18556544917213552, "mip": 0.5278549111855791, "preference_regret": 0.008151118984888649, "near_optimal": 1.0, "unique": 2 }, { "source": "*=CC(=*)C#N", "directions": [ -1, -1 ], "hypervolume": 0.7244858193070617, "mip": 0.8516021153349231, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 1 }, { "source": "*=CC=*", "directions": [ 1, 1 ], "hypervolume": 0.03759958074925521, "mip": 0.19480731073711421, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 1 }, { "source": "*=CC=*", "directions": [ 1, -1 ], "hypervolume": 0.1430862948794339, "mip": 0.4819291513736486, "preference_regret": 0.008151118984888643, "near_optimal": 1.0, "unique": 2 }, { "source": "*=CC=*", "directions": [ -1, 1 ], "hypervolume": 0.18556544917213552, "mip": 0.5278549111855791, "preference_regret": 0.008151118984888649, "near_optimal": 1.0, "unique": 2 }, { "source": "*=CC=*", "directions": [ -1, -1 ], "hypervolume": 0.7244858193070617, "mip": 0.8516021153349231, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 1 }, { "source": "*CC(*)(C)C#N", "directions": [ 1, 1 ], "hypervolume": 0.5801978197957494, "mip": 0.762070471639736, "preference_regret": 0.030493392194355127, "near_optimal": 0.8181818181818182, "unique": 1 }, { "source": "*CC(*)(C)C#N", "directions": [ 1, -1 ], "hypervolume": 0.3238039897444892, "mip": 0.5725062936284352, "preference_regret": 0.019650118376804245, "near_optimal": 1.0, "unique": 3 }, { "source": "*CC(*)(C)C#N", "directions": [ -1, 1 ], "hypervolume": 0.3211397590642662, "mip": 0.5466550989795513, "preference_regret": 0.04229304001633613, "near_optimal": 0.5454545454545454, "unique": 4 }, { "source": "*CC(*)(C)C#N", "directions": [ -1, -1 ], "hypervolume": 0.20728009107484727, "mip": 0.45532317018077717, "preference_regret": 0.05670355196288434, "near_optimal": 0.18181818181818182, "unique": 1 }, { "source": "*CC(*)(C)C(=O)OC(F)(C(F)(F)F)C(F)(F)F", "directions": [ 1, 1 ], "hypervolume": 0.5801978197957494, "mip": 0.762070471639736, "preference_regret": 0.030493392194355127, "near_optimal": 0.8181818181818182, "unique": 1 }, { "source": "*CC(*)(C)C(=O)OC(F)(C(F)(F)F)C(F)(F)F", "directions": [ 1, -1 ], "hypervolume": 0.3238039897444892, "mip": 0.5725062936284352, "preference_regret": 0.019650118376804245, "near_optimal": 1.0, "unique": 3 }, { "source": "*CC(*)(C)C(=O)OC(F)(C(F)(F)F)C(F)(F)F", "directions": [ -1, 1 ], "hypervolume": 0.3033925594797492, "mip": 0.5460843502988136, "preference_regret": 0.04286378869707395, "near_optimal": 0.5454545454545454, "unique": 4 }, { "source": "*CC(*)(C)C(=O)OC(F)(C(F)(F)F)C(F)(F)F", "directions": [ -1, -1 ], "hypervolume": 0.20728009107484727, "mip": 0.45532317018077717, "preference_regret": 0.05670355196288434, "near_optimal": 0.18181818181818182, "unique": 1 }, { "source": "*CC(*)(C)C(=O)OC1(C)CCOC(=O)C1", "directions": [ 1, 1 ], "hypervolume": 0.5801978197957494, "mip": 0.762070471639736, "preference_regret": 0.030493392194355127, "near_optimal": 0.8181818181818182, "unique": 1 }, { "source": "*CC(*)(C)C(=O)OC1(C)CCOC(=O)C1", "directions": [ 1, -1 ], "hypervolume": 0.3238039897444892, "mip": 0.5725062936284352, "preference_regret": 0.019650118376804245, "near_optimal": 1.0, "unique": 3 }, { "source": "*CC(*)(C)C(=O)OC1(C)CCOC(=O)C1", "directions": [ -1, 1 ], "hypervolume": 0.3033925594797492, "mip": 0.5460843502988136, "preference_regret": 0.04286378869707395, "near_optimal": 0.5454545454545454, "unique": 4 }, { "source": "*CC(*)(C)C(=O)OC1(C)CCOC(=O)C1", "directions": [ -1, -1 ], "hypervolume": 0.20728009107484727, "mip": 0.45532317018077717, "preference_regret": 0.05670355196288434, "near_optimal": 0.18181818181818182, "unique": 1 }, { "source": "*CC(*)(C)C(=O)OCC", "directions": [ 1, 1 ], "hypervolume": 0.5801978197957494, "mip": 0.762070471639736, "preference_regret": 0.030493392194355127, "near_optimal": 0.8181818181818182, "unique": 1 }, { "source": "*CC(*)(C)C(=O)OCC", "directions": [ 1, -1 ], "hypervolume": 0.3238039897444892, "mip": 0.5725062936284352, "preference_regret": 0.019650118376804245, "near_optimal": 1.0, "unique": 3 }, { "source": "*CC(*)(C)C(=O)OCC", "directions": [ -1, 1 ], "hypervolume": 0.3033925594797492, "mip": 0.5460843502988136, "preference_regret": 0.04286378869707395, "near_optimal": 0.5454545454545454, "unique": 4 }, { "source": "*CC(*)(C)C(=O)OCC", "directions": [ -1, -1 ], "hypervolume": 0.20728009107484727, "mip": 0.45532317018077717, "preference_regret": 0.05670355196288434, "near_optimal": 0.18181818181818182, "unique": 1 }, { "source": "*CC(*)(C)C(=O)OCC(F)(F)C(F)F", "directions": [ 1, 1 ], "hypervolume": 0.5801978197957494, "mip": 0.762070471639736, "preference_regret": 0.030493392194355127, "near_optimal": 0.8181818181818182, "unique": 1 }, { "source": "*CC(*)(C)C(=O)OCC(F)(F)C(F)F", "directions": [ 1, -1 ], "hypervolume": 0.3238039897444892, "mip": 0.5725062936284352, "preference_regret": 0.019650118376804245, "near_optimal": 1.0, "unique": 3 }, { "source": "*CC(*)(C)C(=O)OCC(F)(F)C(F)F", "directions": [ -1, 1 ], "hypervolume": 0.3033925594797492, "mip": 0.5460843502988136, "preference_regret": 0.04286378869707395, "near_optimal": 0.5454545454545454, "unique": 4 }, { "source": "*CC(*)(C)C(=O)OCC(F)(F)C(F)F", "directions": [ -1, -1 ], "hypervolume": 0.20728009107484727, "mip": 0.45532317018077717, "preference_regret": 0.05670355196288434, "near_optimal": 0.18181818181818182, "unique": 1 }, { "source": "*CC(*)(C)C(=O)Oc1ccccc1", "directions": [ 1, 1 ], "hypervolume": 0.5801978197957494, "mip": 0.762070471639736, "preference_regret": 0.030493392194355127, "near_optimal": 0.8181818181818182, "unique": 1 }, { "source": "*CC(*)(C)C(=O)Oc1ccccc1", "directions": [ 1, -1 ], "hypervolume": 0.3238039897444892, "mip": 0.5725062936284352, "preference_regret": 0.019650118376804245, "near_optimal": 1.0, "unique": 3 }, { "source": "*CC(*)(C)C(=O)Oc1ccccc1", "directions": [ -1, 1 ], "hypervolume": 0.3033925594797492, "mip": 0.5460843502988136, "preference_regret": 0.04286378869707395, "near_optimal": 0.5454545454545454, "unique": 4 }, { "source": "*CC(*)(C)C(=O)Oc1ccccc1", "directions": [ -1, -1 ], "hypervolume": 0.20728009107484727, "mip": 0.45532317018077717, "preference_regret": 0.05670355196288434, "near_optimal": 0.18181818181818182, "unique": 1 }, { "source": "*CC(*)C#N", "directions": [ 1, 1 ], "hypervolume": 0.5801978197957494, "mip": 0.762070471639736, "preference_regret": 0.030493392194355127, "near_optimal": 0.8181818181818182, "unique": 1 }, { "source": "*CC(*)C#N", "directions": [ 1, -1 ], "hypervolume": 0.34665079641555874, "mip": 0.5854176483345319, "preference_regret": 0.006738763670707632, "near_optimal": 1.0, "unique": 3 }, { "source": "*CC(*)C#N", "directions": [ -1, 1 ], "hypervolume": 0.3098844129087688, "mip": 0.5660928570100356, "preference_regret": 0.02285528198585192, "near_optimal": 0.7272727272727273, "unique": 3 }, { "source": "*CC(*)C#N", "directions": [ -1, -1 ], "hypervolume": 0.2621651736528058, "mip": 0.5120267221436615, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 1 }, { "source": "*CC(*)C(=O)Nc1ccccc1Cl", "directions": [ 1, 1 ], "hypervolume": 0.5801978197957494, "mip": 0.762070471639736, "preference_regret": 0.030493392194355127, "near_optimal": 0.8181818181818182, "unique": 1 }, { "source": "*CC(*)C(=O)Nc1ccccc1Cl", "directions": [ 1, -1 ], "hypervolume": 0.3526458881075804, "mip": 0.5797936305626895, "preference_regret": 0.012362781442549986, "near_optimal": 1.0, "unique": 5 }, { "source": "*CC(*)C(=O)Nc1ccccc1Cl", "directions": [ -1, 1 ], "hypervolume": 0.3098844129087688, "mip": 0.5660928570100356, "preference_regret": 0.02285528198585192, "near_optimal": 0.7272727272727273, "unique": 3 }, { "source": "*CC(*)C(=O)Nc1ccccc1Cl", "directions": [ -1, -1 ], "hypervolume": 0.2621651736528058, "mip": 0.5120267221436615, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 1 }, { "source": "*CC(*)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F", "directions": [ 1, 1 ], "hypervolume": 0.5801978197957494, "mip": 0.762070471639736, "preference_regret": 0.030493392194355127, "near_optimal": 0.8181818181818182, "unique": 1 }, { "source": "*CC(*)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F", "directions": [ 1, -1 ], "hypervolume": 0.3526458881075804, "mip": 0.5797936305626895, "preference_regret": 0.012362781442549986, "near_optimal": 1.0, "unique": 5 }, { "source": "*CC(*)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F", "directions": [ -1, 1 ], "hypervolume": 0.3098844129087688, "mip": 0.5660928570100356, "preference_regret": 0.02285528198585192, "near_optimal": 0.7272727272727273, "unique": 3 }, { "source": "*CC(*)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F", "directions": [ -1, -1 ], "hypervolume": 0.2621651736528058, "mip": 0.5120267221436615, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 1 }, { "source": "*CC(*)C(=O)OCC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F", "directions": [ 1, 1 ], "hypervolume": 0.5801978197957494, "mip": 0.762070471639736, "preference_regret": 0.030493392194355127, "near_optimal": 0.8181818181818182, "unique": 1 }, { "source": "*CC(*)C(=O)OCC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F", "directions": [ 1, -1 ], "hypervolume": 0.3526458881075804, "mip": 0.5797936305626895, "preference_regret": 0.012362781442549986, "near_optimal": 1.0, "unique": 5 }, { "source": "*CC(*)C(=O)OCC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F", "directions": [ -1, 1 ], "hypervolume": 0.3098844129087688, "mip": 0.5660928570100356, "preference_regret": 0.02285528198585192, "near_optimal": 0.7272727272727273, "unique": 3 }, { "source": "*CC(*)C(=O)OCC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F", "directions": [ -1, -1 ], "hypervolume": 0.2621651736528058, "mip": 0.5120267221436615, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 1 }, { "source": "*CC(*)C(N)=O", "directions": [ 1, 1 ], "hypervolume": 0.5801978197957494, "mip": 0.762070471639736, "preference_regret": 0.030493392194355127, "near_optimal": 0.8181818181818182, "unique": 1 }, { "source": "*CC(*)C(N)=O", "directions": [ 1, -1 ], "hypervolume": 0.3526458881075804, "mip": 0.5797936305626895, "preference_regret": 0.012362781442549986, "near_optimal": 1.0, "unique": 5 }, { "source": "*CC(*)C(N)=O", "directions": [ -1, 1 ], "hypervolume": 0.3098844129087688, "mip": 0.5660928570100356, "preference_regret": 0.02285528198585192, "near_optimal": 0.7272727272727273, "unique": 3 }, { "source": "*CC(*)C(N)=O", "directions": [ -1, -1 ], "hypervolume": 0.2621651736528058, "mip": 0.5120267221436615, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 1 }, { "source": "*CC(*)OC(=O)OCC(F)(F)F", "directions": [ 1, 1 ], "hypervolume": 0.5801978197957494, "mip": 0.762070471639736, "preference_regret": 0.030493392194355127, "near_optimal": 0.8181818181818182, "unique": 1 }, { "source": "*CC(*)OC(=O)OCC(F)(F)F", "directions": [ 1, -1 ], "hypervolume": 0.3526458881075804, "mip": 0.5797936305626895, "preference_regret": 0.012362781442549986, "near_optimal": 1.0, "unique": 5 }, { "source": "*CC(*)OC(=O)OCC(F)(F)F", "directions": [ -1, 1 ], "hypervolume": 0.3098844129087688, "mip": 0.5660928570100356, "preference_regret": 0.02285528198585192, "near_optimal": 0.7272727272727273, "unique": 3 }, { "source": "*CC(*)OC(=O)OCC(F)(F)F", "directions": [ -1, -1 ], "hypervolume": 0.2621651736528058, "mip": 0.5120267221436615, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 1 }, { "source": "*CC(*)c1ccc(C(=O)OCC(C)C)cc1", "directions": [ 1, 1 ], "hypervolume": 0.5801978197957494, "mip": 0.762070471639736, "preference_regret": 0.030493392194355127, "near_optimal": 0.8181818181818182, "unique": 1 }, { "source": "*CC(*)c1ccc(C(=O)OCC(C)C)cc1", "directions": [ 1, -1 ], "hypervolume": 0.3526458881075804, "mip": 0.5797936305626895, "preference_regret": 0.012362781442549986, "near_optimal": 1.0, "unique": 5 }, { "source": "*CC(*)c1ccc(C(=O)OCC(C)C)cc1", "directions": [ -1, 1 ], "hypervolume": 0.3098844129087688, "mip": 0.5660928570100356, "preference_regret": 0.02285528198585192, "near_optimal": 0.7272727272727273, "unique": 3 }, { "source": "*CC(*)c1ccc(C(=O)OCC(C)C)cc1", "directions": [ -1, -1 ], "hypervolume": 0.2621651736528058, "mip": 0.5120267221436615, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 1 }, { "source": "*CC(*)c1ccccc1", "directions": [ 1, 1 ], "hypervolume": 0.5801978197957494, "mip": 0.762070471639736, "preference_regret": 0.030493392194355127, "near_optimal": 0.8181818181818182, "unique": 1 }, { "source": "*CC(*)c1ccccc1", "directions": [ 1, -1 ], "hypervolume": 0.3526458881075804, "mip": 0.5797936305626895, "preference_regret": 0.012362781442549986, "near_optimal": 1.0, "unique": 5 }, { "source": "*CC(*)c1ccccc1", "directions": [ -1, 1 ], "hypervolume": 0.3098844129087688, "mip": 0.5660928570100356, "preference_regret": 0.02285528198585192, "near_optimal": 0.7272727272727273, "unique": 3 }, { "source": "*CC(*)c1ccccc1", "directions": [ -1, -1 ], "hypervolume": 0.2621651736528058, "mip": 0.5120267221436615, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 1 }, { "source": "*CCC(F)(F)C(*)(F)Cl", "directions": [ 1, 1 ], "hypervolume": 0.8022215202881074, "mip": 0.816394803458489, "preference_regret": 0.0792991625875454, "near_optimal": 0.2727272727272727, "unique": 2 }, { "source": "*CCC(F)(F)C(*)(F)Cl", "directions": [ 1, -1 ], "hypervolume": 0.1882237567782604, "mip": 0.5162221804592434, "preference_regret": 0.021158370547516268, "near_optimal": 0.8181818181818182, "unique": 1 }, { "source": "*CCC(F)(F)C(*)(F)Cl", "directions": [ -1, 1 ], "hypervolume": 0.10026659935988984, "mip": 0.5067941536019629, "preference_regret": 0.021158370547516278, "near_optimal": 0.8181818181818182, "unique": 1 }, { "source": "*CCC(F)(F)C(*)(F)Cl", "directions": [ -1, -1 ], "hypervolume": 0.0482457064111855, "mip": 0.14094812014265712, "preference_regret": 0.0792991625875454, "near_optimal": 0.2727272727272727, "unique": 2 }, { "source": "*CCC(F)(F)C(*)(F)F", "directions": [ 1, 1 ], "hypervolume": 0.8022215202881074, "mip": 0.816394803458489, "preference_regret": 0.0792991625875454, "near_optimal": 0.2727272727272727, "unique": 2 }, { "source": "*CCC(F)(F)C(*)(F)F", "directions": [ 1, -1 ], "hypervolume": 0.1882237567782604, "mip": 0.5162221804592434, "preference_regret": 0.021158370547516268, "near_optimal": 0.8181818181818182, "unique": 1 }, { "source": "*CCC(F)(F)C(*)(F)F", "directions": [ -1, 1 ], "hypervolume": 0.10026659935988984, "mip": 0.5067941536019629, "preference_regret": 0.021158370547516278, "near_optimal": 0.8181818181818182, "unique": 1 }, { "source": "*CCC(F)(F)C(*)(F)F", "directions": [ -1, -1 ], "hypervolume": 0.0482457064111855, "mip": 0.14094812014265712, "preference_regret": 0.0792991625875454, "near_optimal": 0.2727272727272727, "unique": 2 }, { "source": "*OC(CC(*)=O)C1CO1", "directions": [ 1, 1 ], "hypervolume": 0.4558267416121515, "mip": 0.6755918520518911, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 1 }, { "source": "*OC(CC(*)=O)C1CO1", "directions": [ 1, -1 ], "hypervolume": 0.27349945785921453, "mip": 0.5295915882902059, "preference_regret": 0.004968468628833292, "near_optimal": 1.0, "unique": 2 }, { "source": "*OC(CC(*)=O)C1CO1", "directions": [ -1, 1 ], "hypervolume": 0.2460077671494898, "mip": 0.49891722352503187, "preference_regret": 0.004968468628833282, "near_optimal": 1.0, "unique": 2 }, { "source": "*OC(CC(*)=O)C1CO1", "directions": [ -1, -1 ], "hypervolume": 0.15219156741785123, "mip": 0.39016709167753394, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 1 }, { "source": "*OC(CCCCCCC=C)CC(*)=O", "directions": [ 1, 1 ], "hypervolume": 0.4558267416121515, "mip": 0.6755918520518911, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 1 }, { "source": "*OC(CCCCCCC=C)CC(*)=O", "directions": [ 1, -1 ], "hypervolume": 0.27349945785921453, "mip": 0.5295915882902059, "preference_regret": 0.004968468628833292, "near_optimal": 1.0, "unique": 2 }, { "source": "*OC(CCCCCCC=C)CC(*)=O", "directions": [ -1, 1 ], "hypervolume": 0.2460077671494898, "mip": 0.49891722352503187, "preference_regret": 0.004968468628833282, "near_optimal": 1.0, "unique": 2 }, { "source": "*OC(CCCCCCC=C)CC(*)=O", "directions": [ -1, -1 ], "hypervolume": 0.15219156741785123, "mip": 0.39016709167753394, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 1 }, { "source": "*OCC(*)C", "directions": [ 1, 1 ], "hypervolume": 0.5305178091034434, "mip": 0.717459062484224, "preference_regret": 0.011482280358498713, "near_optimal": 1.0, "unique": 2 }, { "source": "*OCC(*)C", "directions": [ 1, -1 ], "hypervolume": 0.16948096643939348, "mip": 0.4710574327001141, "preference_regret": 0.0061218635966418244, "near_optimal": 1.0, "unique": 1 }, { "source": "*OCC(*)C", "directions": [ -1, 1 ], "hypervolume": 0.2875643399628512, "mip": 0.560149574329264, "preference_regret": 0.006121863596641827, "near_optimal": 1.0, "unique": 1 }, { "source": "*OCC(*)C", "directions": [ -1, -1 ], "hypervolume": 0.11071119179502152, "mip": 0.32664367707010983, "preference_regret": 0.011482280358498707, "near_optimal": 1.0, "unique": 2 }, { "source": "*OCC(*)C(F)(F)F", "directions": [ 1, 1 ], "hypervolume": 0.5305178091034434, "mip": 0.717459062484224, "preference_regret": 0.011482280358498713, "near_optimal": 1.0, "unique": 2 }, { "source": "*OCC(*)C(F)(F)F", "directions": [ 1, -1 ], "hypervolume": 0.16948096643939348, "mip": 0.4710574327001141, "preference_regret": 0.0061218635966418244, "near_optimal": 1.0, "unique": 1 }, { "source": "*OCC(*)C(F)(F)F", "directions": [ -1, 1 ], "hypervolume": 0.2875643399628512, "mip": 0.560149574329264, "preference_regret": 0.006121863596641827, "near_optimal": 1.0, "unique": 1 }, { "source": "*OCC(*)C(F)(F)F", "directions": [ -1, -1 ], "hypervolume": 0.11071119179502152, "mip": 0.32664367707010983, "preference_regret": 0.011482280358498707, "near_optimal": 1.0, "unique": 2 } ] }, "oracle_grid": { "n_tasks": 88, "hypervolume": 0.3547658201014365, "mip": 0.5879172440154999, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 1.9772727272727273, "tasks": [ { "source": "*=CC(=*)C#N", "directions": [ 1, 1 ], "hypervolume": 0.03759958074925521, "mip": 0.19480731073711421, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 1 }, { "source": "*=CC(=*)C#N", "directions": [ 1, -1 ], "hypervolume": 0.1430862948794339, "mip": 0.49008027035853724, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 2 }, { "source": "*=CC(=*)C#N", "directions": [ -1, 1 ], "hypervolume": 0.18556544917213552, "mip": 0.5360060301704678, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 2 }, { "source": "*=CC(=*)C#N", "directions": [ -1, -1 ], "hypervolume": 0.7244858193070617, "mip": 0.8516021153349231, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 1 }, { "source": "*=CC=*", "directions": [ 1, 1 ], "hypervolume": 0.03759958074925521, "mip": 0.19480731073711421, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 1 }, { "source": "*=CC=*", "directions": [ 1, -1 ], "hypervolume": 0.1430862948794339, "mip": 0.49008027035853724, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 2 }, { "source": "*=CC=*", "directions": [ -1, 1 ], "hypervolume": 0.18556544917213552, "mip": 0.5360060301704678, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 2 }, { "source": "*=CC=*", "directions": [ -1, -1 ], "hypervolume": 0.7244858193070617, "mip": 0.8516021153349231, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 1 }, { "source": "*CC(*)(C)C#N", "directions": [ 1, 1 ], "hypervolume": 0.6376813530893083, "mip": 0.792563863834091, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 2 }, { "source": "*CC(*)(C)C#N", "directions": [ 1, -1 ], "hypervolume": 0.3562271417562696, "mip": 0.5921564120052395, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 4 }, { "source": "*CC(*)(C)C#N", "directions": [ -1, 1 ], "hypervolume": 0.32133391367784564, "mip": 0.5889481389958875, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 2 }, { "source": "*CC(*)(C)C#N", "directions": [ -1, -1 ], "hypervolume": 0.2621651736528058, "mip": 0.5120267221436615, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 1 }, { "source": "*CC(*)(C)C(=O)OC(F)(C(F)(F)F)C(F)(F)F", "directions": [ 1, 1 ], "hypervolume": 0.6376813530893083, "mip": 0.792563863834091, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 2 }, { "source": "*CC(*)(C)C(=O)OC(F)(C(F)(F)F)C(F)(F)F", "directions": [ 1, -1 ], "hypervolume": 0.3562271417562696, "mip": 0.5921564120052395, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 4 }, { "source": "*CC(*)(C)C(=O)OC(F)(C(F)(F)F)C(F)(F)F", "directions": [ -1, 1 ], "hypervolume": 0.32133391367784564, "mip": 0.5889481389958875, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 2 }, { "source": "*CC(*)(C)C(=O)OC(F)(C(F)(F)F)C(F)(F)F", "directions": [ -1, -1 ], "hypervolume": 0.2621651736528058, "mip": 0.5120267221436615, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 1 }, { "source": "*CC(*)(C)C(=O)OC1(C)CCOC(=O)C1", "directions": [ 1, 1 ], "hypervolume": 0.6376813530893083, "mip": 0.792563863834091, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 2 }, { "source": "*CC(*)(C)C(=O)OC1(C)CCOC(=O)C1", "directions": [ 1, -1 ], "hypervolume": 0.3562271417562696, "mip": 0.5921564120052395, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 4 }, { "source": "*CC(*)(C)C(=O)OC1(C)CCOC(=O)C1", "directions": [ -1, 1 ], "hypervolume": 0.32133391367784564, "mip": 0.5889481389958875, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 2 }, { "source": "*CC(*)(C)C(=O)OC1(C)CCOC(=O)C1", "directions": [ -1, -1 ], "hypervolume": 0.2621651736528058, "mip": 0.5120267221436615, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 1 }, { "source": "*CC(*)(C)C(=O)OCC", "directions": [ 1, 1 ], "hypervolume": 0.6376813530893083, "mip": 0.792563863834091, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 2 }, { "source": "*CC(*)(C)C(=O)OCC", "directions": [ 1, -1 ], "hypervolume": 0.3562271417562696, "mip": 0.5921564120052395, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 4 }, { "source": "*CC(*)(C)C(=O)OCC", "directions": [ -1, 1 ], "hypervolume": 0.32133391367784564, "mip": 0.5889481389958875, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 2 }, { "source": "*CC(*)(C)C(=O)OCC", "directions": [ -1, -1 ], "hypervolume": 0.2621651736528058, "mip": 0.5120267221436615, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 1 }, { "source": "*CC(*)(C)C(=O)OCC(F)(F)C(F)F", "directions": [ 1, 1 ], "hypervolume": 0.6376813530893083, "mip": 0.792563863834091, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 2 }, { "source": "*CC(*)(C)C(=O)OCC(F)(F)C(F)F", "directions": [ 1, -1 ], "hypervolume": 0.3562271417562696, "mip": 0.5921564120052395, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 4 }, { "source": "*CC(*)(C)C(=O)OCC(F)(F)C(F)F", "directions": [ -1, 1 ], "hypervolume": 0.32133391367784564, "mip": 0.5889481389958875, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 2 }, { "source": "*CC(*)(C)C(=O)OCC(F)(F)C(F)F", "directions": [ -1, -1 ], "hypervolume": 0.2621651736528058, "mip": 0.5120267221436615, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 1 }, { "source": "*CC(*)(C)C(=O)Oc1ccccc1", "directions": [ 1, 1 ], "hypervolume": 0.6376813530893083, "mip": 0.792563863834091, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 2 }, { "source": "*CC(*)(C)C(=O)Oc1ccccc1", "directions": [ 1, -1 ], "hypervolume": 0.3562271417562696, "mip": 0.5921564120052395, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 4 }, { "source": "*CC(*)(C)C(=O)Oc1ccccc1", "directions": [ -1, 1 ], "hypervolume": 0.32133391367784564, "mip": 0.5889481389958875, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 2 }, { "source": "*CC(*)(C)C(=O)Oc1ccccc1", "directions": [ -1, -1 ], "hypervolume": 0.2621651736528058, "mip": 0.5120267221436615, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 1 }, { "source": "*CC(*)C#N", "directions": [ 1, 1 ], "hypervolume": 0.6376813530893083, "mip": 0.792563863834091, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 2 }, { "source": "*CC(*)C#N", "directions": [ 1, -1 ], "hypervolume": 0.3562271417562696, "mip": 0.5921564120052395, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 4 }, { "source": "*CC(*)C#N", "directions": [ -1, 1 ], "hypervolume": 0.32133391367784564, "mip": 0.5889481389958875, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 2 }, { "source": "*CC(*)C#N", "directions": [ -1, -1 ], "hypervolume": 0.2621651736528058, "mip": 0.5120267221436615, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 1 }, { "source": "*CC(*)C(=O)Nc1ccccc1Cl", "directions": [ 1, 1 ], "hypervolume": 0.6376813530893083, "mip": 0.792563863834091, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 2 }, { "source": "*CC(*)C(=O)Nc1ccccc1Cl", "directions": [ 1, -1 ], "hypervolume": 0.3562271417562696, "mip": 0.5921564120052395, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 4 }, { "source": "*CC(*)C(=O)Nc1ccccc1Cl", "directions": [ -1, 1 ], "hypervolume": 0.32133391367784564, "mip": 0.5889481389958875, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 2 }, { "source": "*CC(*)C(=O)Nc1ccccc1Cl", "directions": [ -1, -1 ], "hypervolume": 0.2621651736528058, "mip": 0.5120267221436615, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 1 }, { "source": "*CC(*)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F", "directions": [ 1, 1 ], "hypervolume": 0.6376813530893083, "mip": 0.792563863834091, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 2 }, { "source": "*CC(*)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F", "directions": [ 1, -1 ], "hypervolume": 0.3562271417562696, "mip": 0.5921564120052395, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 4 }, { "source": "*CC(*)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F", "directions": [ -1, 1 ], "hypervolume": 0.32133391367784564, "mip": 0.5889481389958875, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 2 }, { "source": "*CC(*)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F", "directions": [ -1, -1 ], "hypervolume": 0.2621651736528058, "mip": 0.5120267221436615, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 1 }, { "source": "*CC(*)C(=O)OCC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F", "directions": [ 1, 1 ], "hypervolume": 0.6376813530893083, "mip": 0.792563863834091, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 2 }, { "source": "*CC(*)C(=O)OCC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F", "directions": [ 1, -1 ], "hypervolume": 0.3562271417562696, "mip": 0.5921564120052395, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 4 }, { "source": "*CC(*)C(=O)OCC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F", "directions": [ -1, 1 ], "hypervolume": 0.32133391367784564, "mip": 0.5889481389958875, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 2 }, { "source": "*CC(*)C(=O)OCC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F", "directions": [ -1, -1 ], "hypervolume": 0.2621651736528058, "mip": 0.5120267221436615, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 1 }, { "source": "*CC(*)C(N)=O", "directions": [ 1, 1 ], "hypervolume": 0.6376813530893083, "mip": 0.792563863834091, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 2 }, { "source": "*CC(*)C(N)=O", "directions": [ 1, -1 ], "hypervolume": 0.3562271417562696, "mip": 0.5921564120052395, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 4 }, { "source": "*CC(*)C(N)=O", "directions": [ -1, 1 ], "hypervolume": 0.32133391367784564, "mip": 0.5889481389958875, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 2 }, { "source": "*CC(*)C(N)=O", "directions": [ -1, -1 ], "hypervolume": 0.2621651736528058, "mip": 0.5120267221436615, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 1 }, { "source": "*CC(*)OC(=O)OCC(F)(F)F", "directions": [ 1, 1 ], "hypervolume": 0.6376813530893083, "mip": 0.792563863834091, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 2 }, { "source": "*CC(*)OC(=O)OCC(F)(F)F", "directions": [ 1, -1 ], "hypervolume": 0.3562271417562696, "mip": 0.5921564120052395, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 4 }, { "source": "*CC(*)OC(=O)OCC(F)(F)F", "directions": [ -1, 1 ], "hypervolume": 0.32133391367784564, "mip": 0.5889481389958875, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 2 }, { "source": "*CC(*)OC(=O)OCC(F)(F)F", "directions": [ -1, -1 ], "hypervolume": 0.2621651736528058, "mip": 0.5120267221436615, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 1 }, { "source": "*CC(*)c1ccc(C(=O)OCC(C)C)cc1", "directions": [ 1, 1 ], "hypervolume": 0.6376813530893083, "mip": 0.792563863834091, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 2 }, { "source": "*CC(*)c1ccc(C(=O)OCC(C)C)cc1", "directions": [ 1, -1 ], "hypervolume": 0.3562271417562696, "mip": 0.5921564120052395, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 4 }, { "source": "*CC(*)c1ccc(C(=O)OCC(C)C)cc1", "directions": [ -1, 1 ], "hypervolume": 0.32133391367784564, "mip": 0.5889481389958875, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 2 }, { "source": "*CC(*)c1ccc(C(=O)OCC(C)C)cc1", "directions": [ -1, -1 ], "hypervolume": 0.2621651736528058, "mip": 0.5120267221436615, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 1 }, { "source": "*CC(*)c1ccccc1", "directions": [ 1, 1 ], "hypervolume": 0.6376813530893083, "mip": 0.792563863834091, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 2 }, { "source": "*CC(*)c1ccccc1", "directions": [ 1, -1 ], "hypervolume": 0.3562271417562696, "mip": 0.5921564120052395, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 4 }, { "source": "*CC(*)c1ccccc1", "directions": [ -1, 1 ], "hypervolume": 0.32133391367784564, "mip": 0.5889481389958875, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 2 }, { "source": "*CC(*)c1ccccc1", "directions": [ -1, -1 ], "hypervolume": 0.2621651736528058, "mip": 0.5120267221436615, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 1 }, { "source": "*CCC(F)(F)C(*)(F)Cl", "directions": [ 1, 1 ], "hypervolume": 0.8022215202881074, "mip": 0.8956939660460342, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 1 }, { "source": "*CCC(F)(F)C(*)(F)Cl", "directions": [ 1, -1 ], "hypervolume": 0.1972850399436725, "mip": 0.5373805510067597, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 2 }, { "source": "*CCC(F)(F)C(*)(F)Cl", "directions": [ -1, 1 ], "hypervolume": 0.17121760937533204, "mip": 0.5279525241494792, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 2 }, { "source": "*CCC(F)(F)C(*)(F)Cl", "directions": [ -1, -1 ], "hypervolume": 0.0482457064111855, "mip": 0.22024728273020247, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 1 }, { "source": "*CCC(F)(F)C(*)(F)F", "directions": [ 1, 1 ], "hypervolume": 0.8022215202881074, "mip": 0.8956939660460342, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 1 }, { "source": "*CCC(F)(F)C(*)(F)F", "directions": [ 1, -1 ], "hypervolume": 0.1972850399436725, "mip": 0.5373805510067597, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 2 }, { "source": "*CCC(F)(F)C(*)(F)F", "directions": [ -1, 1 ], "hypervolume": 0.17121760937533204, "mip": 0.5279525241494792, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 2 }, { "source": "*CCC(F)(F)C(*)(F)F", "directions": [ -1, -1 ], "hypervolume": 0.0482457064111855, "mip": 0.22024728273020247, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 1 }, { "source": "*OC(CC(*)=O)C1CO1", "directions": [ 1, 1 ], "hypervolume": 0.4558267416121515, "mip": 0.6755918520518911, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 1 }, { "source": "*OC(CC(*)=O)C1CO1", "directions": [ 1, -1 ], "hypervolume": 0.27349945785921453, "mip": 0.5345600569190391, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 2 }, { "source": "*OC(CC(*)=O)C1CO1", "directions": [ -1, 1 ], "hypervolume": 0.2460077671494898, "mip": 0.5038856921538651, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 2 }, { "source": "*OC(CC(*)=O)C1CO1", "directions": [ -1, -1 ], "hypervolume": 0.15219156741785123, "mip": 0.39016709167753394, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 1 }, { "source": "*OC(CCCCCCC=C)CC(*)=O", "directions": [ 1, 1 ], "hypervolume": 0.4558267416121515, "mip": 0.6755918520518911, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 1 }, { "source": "*OC(CCCCCCC=C)CC(*)=O", "directions": [ 1, -1 ], "hypervolume": 0.27349945785921453, "mip": 0.5345600569190391, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 2 }, { "source": "*OC(CCCCCCC=C)CC(*)=O", "directions": [ -1, 1 ], "hypervolume": 0.2460077671494898, "mip": 0.5038856921538651, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 2 }, { "source": "*OC(CCCCCCC=C)CC(*)=O", "directions": [ -1, -1 ], "hypervolume": 0.15219156741785123, "mip": 0.39016709167753394, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 1 }, { "source": "*OCC(*)C", "directions": [ 1, 1 ], "hypervolume": 0.5305178091034434, "mip": 0.7289413428427227, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 1 }, { "source": "*OCC(*)C", "directions": [ 1, -1 ], "hypervolume": 0.19105898232141436, "mip": 0.477179296296756, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 2 }, { "source": "*OCC(*)C", "directions": [ -1, 1 ], "hypervolume": 0.29832247184483, "mip": 0.566271437925906, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 2 }, { "source": "*OCC(*)C", "directions": [ -1, -1 ], "hypervolume": 0.11071119179502152, "mip": 0.33812595742860857, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 1 }, { "source": "*OCC(*)C(F)(F)F", "directions": [ 1, 1 ], "hypervolume": 0.5305178091034434, "mip": 0.7289413428427227, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 1 }, { "source": "*OCC(*)C(F)(F)F", "directions": [ 1, -1 ], "hypervolume": 0.19105898232141436, "mip": 0.477179296296756, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 2 }, { "source": "*OCC(*)C(F)(F)F", "directions": [ -1, 1 ], "hypervolume": 0.29832247184483, "mip": 0.566271437925906, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 2 }, { "source": "*OCC(*)C(F)(F)F", "directions": [ -1, -1 ], "hypervolume": 0.11071119179502152, "mip": 0.33812595742860857, "preference_regret": 0.0, "near_optimal": 1.0, "unique": 1 } ] } }, "wandb_run": "https://wandb.ai/promotion-kim/polyedit/runs/nbkdoeqr" }