matsuken92
commented
5 years ago Open matsuken92 opened 5 years ago
matsuken92
commented
5 years ago matsuken92
commented
5 years ago STARTING : 2019-06-11 16:59:17
Mem. usage decreased to 1239.42 Mb (71.6% reduction)
Mem. usage decreased to 633.21 Mb (71.9% reduction)
Fold 1 started at Tue Jun 11 17:04:58 2019
[8000] training's l1: 0.307622 valid_1's l1: 0.520485
Fold 2 started at Tue Jun 11 17:22:06 2019
[8000] training's l1: 0.30656 valid_1's l1: 0.521003
Fold 3 started at Tue Jun 11 17:38:36 2019
[8000] training's l1: 0.306582 valid_1's l1: 0.520394
Fold 4 started at Tue Jun 11 17:56:04 2019
[8000] training's l1: 0.305736 valid_1's l1: 0.519107
Fold 5 started at Tue Jun 11 18:13:32 2019
[8000] training's l1: 0.305946 valid_1's l1: 0.518649
CV mean score: -0.7760, std: 0.0025.
X['type'].unique(): [0 3 1 4 2 6 5 7]
Training of type 0
Fold 1 started at Tue Jun 11 18:31:23 2019
[15000] training's l1: 0.0199649 valid_1's l1: 0.906052
Fold 2 started at Tue Jun 11 18:40:04 2019
[15000] training's l1: 0.0198753 valid_1's l1: 0.913156
Fold 3 started at Tue Jun 11 18:48:49 2019
[15000] training's l1: 0.0198629 valid_1's l1: 0.910464
Fold 4 started at Tue Jun 11 18:57:25 2019
[15000] training's l1: 0.0197971 valid_1's l1: 0.91228
Fold 5 started at Tue Jun 11 19:06:04 2019
[15000] training's l1: 0.0198354 valid_1's l1: 0.913914
CV mean score: -0.0930, std: 0.0031.
Training of type 3
Fold 1 started at Tue Jun 11 19:15:23 2019
[15000] training's l1: 0.00119511 valid_1's l1: 0.229172
Fold 2 started at Tue Jun 11 19:23:32 2019
[15000] training's l1: 0.0011875 valid_1's l1: 0.228336
Fold 3 started at Tue Jun 11 19:31:32 2019
[15000] training's l1: 0.00119345 valid_1's l1: 0.228493
Fold 4 started at Tue Jun 11 19:39:29 2019
[15000] training's l1: 0.00119267 valid_1's l1: 0.22976
Fold 5 started at Tue Jun 11 19:47:20 2019
[15000] training's l1: 0.00119209 valid_1's l1: 0.229388
CV mean score: -1.4739, std: 0.0024.
Training of type 1
Fold 1 started at Tue Jun 11 19:56:15 2019
[4918] training's l1: 0.00119977 valid_1's l1: 0.540004
Fold 2 started at Tue Jun 11 19:57:14 2019
[4502] training's l1: 0.00130429 valid_1's l1: 0.54387
Fold 3 started at Tue Jun 11 19:58:10 2019
[6681] training's l1: 0.000973862 valid_1's l1: 0.538346
Fold 4 started at Tue Jun 11 19:59:18 2019
[7275] training's l1: 0.000925833 valid_1's l1: 0.544128
Fold 5 started at Tue Jun 11 20:00:30 2019
[5490] training's l1: 0.00108372 valid_1's l1: 0.536281
CV mean score: -0.6152, std: 0.0057.
Training of type 4
Fold 1 started at Tue Jun 11 20:02:03 2019
[6334] training's l1: 0.00123945 valid_1's l1: 0.238972
Fold 2 started at Tue Jun 11 20:04:03 2019
[12232] training's l1: 0.000677554 valid_1's l1: 0.242251
Fold 3 started at Tue Jun 11 20:07:06 2019
[8054] training's l1: 0.000869291 valid_1's l1: 0.244561
Fold 4 started at Tue Jun 11 20:09:30 2019
[12660] training's l1: 0.00067459 valid_1's l1: 0.244021
Fold 5 started at Tue Jun 11 20:12:41 2019
[6786] training's l1: 0.0010875 valid_1's l1: 0.24058
CV mean score: -1.4185, std: 0.0086.
Training of type 2
Fold 1 started at Tue Jun 11 20:15:20 2019
[15000] training's l1: 0.024419 valid_1's l1: 0.376461
Fold 2 started at Tue Jun 11 20:27:02 2019
[15000] training's l1: 0.0243986 valid_1's l1: 0.376453
Fold 3 started at Tue Jun 11 20:38:28 2019
[15000] training's l1: 0.0242558 valid_1's l1: 0.376576
Fold 4 started at Tue Jun 11 20:49:43 2019
[15000] training's l1: 0.0244827 valid_1's l1: 0.372675
Fold 5 started at Tue Jun 11 21:01:27 2019
[15000] training's l1: 0.0243272 valid_1's l1: 0.376481
CV mean score: -0.9789, std: 0.0041.
Training of type 6
Fold 1 started at Tue Jun 11 21:13:47 2019
[15000] training's l1: 0.00282867 valid_1's l1: 0.201985
Fold 2 started at Tue Jun 11 21:22:23 2019
[15000] training's l1: 0.0028309 valid_1's l1: 0.202628
Fold 3 started at Tue Jun 11 21:30:58 2019
[15000] training's l1: 0.00281874 valid_1's l1: 0.203361
Fold 4 started at Tue Jun 11 21:39:33 2019
[15000] training's l1: 0.00283694 valid_1's l1: 0.201092
Fold 5 started at Tue Jun 11 21:48:01 2019
[15000] training's l1: 0.00280774 valid_1's l1: 0.202467
CV mean score: -1.5980, std: 0.0037.
Training of type 5
Fold 1 started at Tue Jun 11 21:57:21 2019
[15000] training's l1: 0.0399831 valid_1's l1: 0.350548
Fold 2 started at Tue Jun 11 22:11:54 2019
[15000] training's l1: 0.0398623 valid_1's l1: 0.351907
Fold 3 started at Tue Jun 11 22:26:34 2019
[15000] training's l1: 0.0399994 valid_1's l1: 0.350007
Fold 4 started at Tue Jun 11 22:40:52 2019
[15000] training's l1: 0.0400033 valid_1's l1: 0.34955
Fold 5 started at Tue Jun 11 22:54:56 2019
[15000] training's l1: 0.0400072 valid_1's l1: 0.351625
CV mean score: -1.0477, std: 0.0026.
Training of type 7
Fold 1 started at Tue Jun 11 23:09:40 2019
[7199] training's l1: 0.00118186 valid_1's l1: 0.168515
Fold 2 started at Tue Jun 11 23:12:22 2019
[13843] training's l1: 0.000634087 valid_1's l1: 0.166695
Fold 3 started at Tue Jun 11 23:16:44 2019
[10761] training's l1: 0.000736725 valid_1's l1: 0.171416
Fold 4 started at Tue Jun 11 23:20:27 2019
[13103] training's l1: 0.000652251 valid_1's l1: 0.167788
Fold 5 started at Tue Jun 11 23:24:39 2019
[11342] training's l1: 0.000711948 valid_1's l1: 0.169089
CV mean score: -1.7797, std: 0.0093.
oof_log_mae: -1.1256088497006402
finished. : 2019-06-11 23:29:16| type_0 | type_1 | type_2 | type_3 | type_4 | type_5 | type_6 | type_7 | ave | |
|---|---|---|---|---|---|---|---|---|---|
| oof_fc | 2.7% | 3.0% | 3.0% | 2.3% | 2.9% | 3.5% | 2.4% | 3.6% | 2.9% |
| f006:dist_origin_mean | 2.3% | 3.4% | 1.8% | 2.6% | 2.6% | 2.0% | 2.2% | 2.8% | 2.4% |
| abs_dist | 2.5% | 2.9% | 2.0% | 2.3% | 2.3% | 1.7% | 1.8% | 1.9% | 2.2% |
| f006:dist_from_origin_0 | 2.2% | 2.3% | 2.1% | 2.3% | 2.2% | 2.0% | 2.0% | 2.0% | 2.1% |
| molecule_dist_mean | 1.9% | 2.7% | 1.4% | 2.2% | 1.9% | 1.6% | 2.0% | 2.0% | 2.0% |
| molecule_dist_max | 1.9% | 2.8% | 1.5% | 2.2% | 2.1% | 1.2% | 1.9% | 2.0% | 1.9% |
| f006:dist_from_origin_1 | 1.8% | 1.9% | 1.7% | 2.4% | 1.8% | 1.7% | 2.3% | 1.7% | 1.9% |
| molecule_atom_1_dist_mean | 2.0% | 2.4% | 1.5% | 2.1% | 1.8% | 1.5% | 2.1% | 1.7% | 1.9% |
| molecule_atom_index_0_x_1_std | 2.0% | 2.0% | 1.7% | 1.8% | 1.9% | 1.6% | 1.7% | 1.7% | 1.8% |
| z_0 | 1.8% | 1.8% | 1.6% | 1.7% | 2.1% | 1.6% | 1.7% | 2.0% | 1.8% |
| molecule_atom_1_dist_std_diff | 2.4% | 3.0% | 1.5% | 2.5% | 1.7% | 0.8% | 1.2% | 1.3% | 1.8% |
| molecule_atom_index_0_z_1_std | 2.0% | 1.9% | 1.6% | 1.9% | 1.8% | 1.7% | 1.7% | 1.7% | 1.8% |
| z_1 | 1.7% | 1.9% | 1.6% | 1.9% | 1.8% | 1.7% | 1.7% | 1.8% | 1.8% |
| f004:angle_abs | 1.8% | 2.0% | 1.5% | 1.6% | 2.1% | 1.3% | 1.7% | 1.9% | 1.7% |
| dist_xy | 1.8% | 1.8% | 1.6% | 1.8% | 1.9% | 1.5% | 1.6% | 1.6% | 1.7% |
| molecule_atom_index_0_y_1_std | 1.8% | 1.9% | 1.5% | 1.7% | 1.7% | 1.5% | 1.5% | 1.7% | 1.7% |
| dist_xz | 2.0% | 2.3% | 1.6% | 1.6% | 1.7% | 1.4% | 1.4% | 1.4% | 1.7% |
| molecule_atom_index_0_y_1_mean_div | 1.8% | 1.8% | 1.6% | 1.7% | 1.7% | 1.5% | 1.6% | 1.5% | 1.6% |
| x_0 | 1.6% | 1.7% | 1.5% | 1.7% | 1.7% | 1.5% | 1.5% | 1.8% | 1.6% |
| dist_yz | 1.8% | 1.8% | 1.5% | 1.7% | 1.7% | 1.4% | 1.5% | 1.5% | 1.6% |
| x_1 | 1.5% | 1.8% | 1.4% | 1.8% | 1.5% | 1.5% | 1.5% | 1.6% | 1.6% |
| gasteiger_1 | 1.8% | 1.6% | 1.8% | 0.0% | 1.7% | 1.9% | 1.9% | 1.7% | 1.5% |
| f004:angle | 1.7% | 1.8% | 1.4% | 1.5% | 1.7% | 1.3% | 1.4% | 1.5% | 1.5% |
| gasteiger_0 | 1.5% | 1.0% | 1.8% | 1.6% | 1.1% | 2.0% | 1.5% | 1.1% | 1.5% |
| y_0 | 1.5% | 1.5% | 1.4% | 1.7% | 1.5% | 1.4% | 1.4% | 1.5% | 1.5% |
| molecule_atom_index_0_y_1_mean_diff | 1.5% | 1.4% | 1.4% | 1.5% | 1.4% | 1.2% | 1.3% | 1.2% | 1.4% |
| molecule_couples | 1.4% | 1.6% | 1.1% | 1.3% | 1.4% | 1.0% | 1.2% | 1.3% | 1.3% |
| molecule_atom_index_0_dist_max | 1.1% | 1.0% | 1.5% | 1.0% | 1.2% | 1.6% | 1.4% | 1.5% | 1.3% |
| molecule_type_dist_mean_diff | 1.8% | 1.5% | 1.2% | 1.6% | 1.5% | 0.7% | 0.9% | 0.9% | 1.3% |
| y_1 | 1.3% | 1.3% | 1.2% | 1.6% | 1.1% | 1.3% | 1.2% | 1.3% | 1.3% |
| molecule_type_0_dist_std_diff | 1.0% | 1.8% | 1.1% | 1.9% | 1.4% | 0.8% | 1.1% | 0.9% | 1.3% |
| qtpie_0 | 1.1% | 1.3% | 1.2% | 1.1% | 1.3% | 1.3% | 1.2% | 1.2% | 1.2% |
| molecule_type_dist_min | 0.6% | 0.0% | 1.6% | 1.2% | 0.8% | 1.9% | 1.9% | 1.5% | 1.2% |
| qeq_0 | 1.1% | 1.4% | 1.2% | 1.2% | 1.2% | 1.2% | 1.1% | 1.2% | 1.2% |
| molecule_atom_index_0_y_1_max_diff | 1.4% | 1.3% | 1.2% | 1.1% | 1.2% | 1.0% | 1.2% | 1.0% | 1.2% |
| eem2015ha_0 | 1.3% | 1.3% | 1.0% | 1.2% | 1.3% | 1.0% | 1.2% | 1.2% | 1.2% |
| eem2015ha_1 | 1.2% | 1.4% | 1.1% | 1.2% | 1.1% | 1.1% | 1.2% | 1.1% | 1.2% |
| eem2015bm_0 | 1.3% | 1.4% | 1.0% | 1.2% | 1.2% | 1.0% | 1.1% | 1.3% | 1.2% |
| molecule_atom_index_0_dist_mean | 1.0% | 0.7% | 1.3% | 0.9% | 1.1% | 1.6% | 1.3% | 1.4% | 1.2% |
| molecule_type_dist_std_diff | 0.7% | 0.9% | 1.2% | 1.5% | 1.4% | 0.8% | 1.2% | 1.5% | 1.2% |
| molecule_atom_index_0_dist_std | 1.1% | 0.8% | 1.1% | 0.9% | 1.1% | 1.3% | 1.2% | 1.5% | 1.1% |
| molecule_type_dist_max | 1.1% | 0.6% | 1.5% | 1.4% | 0.9% | 0.7% | 1.4% | 1.2% | 1.1% |
| eem2015ba_0 | 1.2% | 1.1% | 1.0% | 1.1% | 1.2% | 0.9% | 1.1% | 1.1% | 1.1% |
| eem2015ba_1 | 1.2% | 1.0% | 1.1% | 1.1% | 0.9% | 1.1% | 1.1% | 0.9% | 1.0% |
| qtpie_1 | 0.9% | 1.0% | 1.0% | 1.2% | 0.9% | 1.0% | 1.3% | 0.9% | 1.0% |
| eem_0 | 1.2% | 1.3% | 0.9% | 1.0% | 1.0% | 0.9% | 0.9% | 1.0% | 1.0% |
| qeq_1 | 0.9% | 1.0% | 0.9% | 1.2% | 0.9% | 0.9% | 1.3% | 0.9% | 1.0% |
| eem2015hm_0 | 1.2% | 1.3% | 0.9% | 1.0% | 1.0% | 0.8% | 0.9% | 1.0% | 1.0% |
| molecule_dist_min | 0.9% | 0.4% | 1.0% | 1.5% | 0.8% | 1.1% | 1.3% | 0.8% | 1.0% |
| molecule_atom_index_1_dist_std | 0.9% | 1.1% | 0.9% | 1.1% | 0.8% | 1.1% | 0.9% | 1.0% | 1.0% |
| molecule_atom_index_1_dist_std_diff | 0.8% | 0.9% | 1.0% | 1.0% | 0.9% | 1.0% | 1.1% | 0.9% | 0.9% |
| eem2015bm_1 | 0.9% | 0.9% | 0.8% | 1.3% | 0.7% | 0.8% | 1.2% | 0.7% | 0.9% |
| eem2015bn_0 | 1.0% | 1.0% | 0.8% | 0.9% | 1.1% | 0.7% | 0.8% | 0.9% | 0.9% |
| molecule_atom_index_1_dist_max | 0.8% | 0.6% | 1.1% | 0.6% | 0.9% | 1.4% | 0.8% | 0.8% | 0.9% |
| molecule_atom_index_0_dist_std_div | 0.6% | 0.5% | 0.9% | 0.7% | 0.8% | 1.3% | 0.9% | 1.2% | 0.9% |
| molecule_atom_index_0_dist_std_diff | 0.9% | 0.7% | 1.1% | 1.0% | 0.8% | 1.0% | 0.8% | 0.7% | 0.9% |
| eem2015hn_0 | 1.0% | 1.1% | 0.7% | 0.8% | 1.0% | 0.7% | 0.8% | 0.8% | 0.9% |
| molecule_atom_index_0_dist_max_div | 1.2% | 1.2% | 1.1% | 0.9% | 0.9% | 0.5% | 0.6% | 0.3% | 0.8% |
| eem2015hm_1 | 0.8% | 1.0% | 0.7% | 1.1% | 0.7% | 0.7% | 1.0% | 0.7% | 0.8% |
| molecule_atom_index_0_dist_mean_div | 1.0% | 0.8% | 1.0% | 0.7% | 0.9% | 0.9% | 0.7% | 0.8% | 0.8% |
| molecule_atom_index_1_dist_mean | 0.7% | 0.5% | 1.0% | 0.5% | 0.8% | 1.2% | 0.9% | 0.9% | 0.8% |
| molecule_atom_index_0_dist_max_diff | 0.8% | 0.8% | 1.1% | 0.8% | 1.0% | 0.7% | 0.7% | 0.4% | 0.8% |
| molecule_atom_1_dist_min_diff | 1.6% | 0.7% | 0.6% | 1.4% | 0.6% | 0.3% | 0.6% | 0.5% | 0.8% |
| eem2015bn_1 | 0.7% | 0.9% | 0.6% | 0.9% | 0.7% | 0.6% | 0.9% | 0.7% | 0.8% |
| eem_1 | 0.7% | 0.8% | 0.6% | 1.1% | 0.6% | 0.6% | 1.0% | 0.6% | 0.8% |
| molecule_atom_index_1_dist_std_div | 0.5% | 0.5% | 0.7% | 0.5% | 0.7% | 1.0% | 0.8% | 1.0% | 0.7% |
| molecule_atom_index_0_dist_mean_diff | 0.7% | 0.5% | 0.9% | 0.6% | 0.8% | 0.8% | 0.6% | 0.7% | 0.7% |
| molecule_atom_index_0_dist_min | 0.5% | 0.3% | 0.9% | 0.6% | 0.6% | 1.1% | 0.7% | 0.7% | 0.7% |
| eem2015hn_1 | 0.6% | 0.8% | 0.5% | 0.9% | 0.6% | 0.5% | 0.8% | 0.6% | 0.7% |
| molecule_atom_index_1_dist_min | 0.4% | 0.2% | 0.9% | 0.5% | 0.6% | 1.1% | 1.0% | 0.7% | 0.7% |
| cos2T | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 1.9% | 1.4% | 1.5% | 0.6% |
| molecule_atom_index_1_dist_max_diff | 0.6% | 0.5% | 0.8% | 0.3% | 0.8% | 0.7% | 0.3% | 0.5% | 0.6% |
| molecule_atom_index_1_dist_min_diff | 1.2% | 0.4% | 0.7% | 0.4% | 0.5% | 0.6% | 0.3% | 0.4% | 0.6% |
| molecule_atom_index_1_dist_mean_diff | 0.5% | 0.4% | 0.7% | 0.4% | 0.6% | 0.8% | 0.4% | 0.7% | 0.6% |
| Torsion | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 1.5% | 1.3% | 1.5% | 0.6% |
| mmff94_1 | 0.5% | 0.3% | 1.0% | 0.0% | 0.5% | 1.2% | 0.1% | 0.7% | 0.5% |
| molecule_atom_index_1_dist_max_div | 0.9% | 0.6% | 0.9% | 0.1% | 0.7% | 0.5% | 0.2% | 0.3% | 0.5% |
| atom_index_0 | 0.5% | 0.7% | 0.5% | 0.2% | 0.6% | 0.5% | 0.3% | 0.6% | 0.5% |
| molecule_atom_index_1_dist_mean_div | 0.7% | 0.4% | 0.6% | 0.1% | 0.5% | 0.8% | 0.3% | 0.6% | 0.5% |
| Angle | 0.0% | 0.0% | 1.8% | 0.9% | 1.3% | 0.0% | 0.0% | 0.0% | 0.5% |
| molecule_type_dist_mean_div | 0.1% | 0.0% | 0.6% | 0.2% | 0.5% | 0.6% | 0.8% | 0.8% | 0.5% |
| molecule_atom_1_dist_min_div | 0.2% | 0.0% | 0.7% | 0.2% | 0.5% | 0.5% | 0.7% | 0.5% | 0.4% |
| molecule_atom_index_0_dist_min_div | 0.0% | 0.0% | 0.7% | 0.4% | 0.5% | 0.6% | 0.5% | 0.6% | 0.4% |
| atom_index_1 | 0.4% | 0.2% | 0.4% | 0.3% | 0.3% | 0.5% | 0.4% | 0.3% | 0.4% |
| molecule_atom_index_0_dist_min_diff | 0.0% | 0.0% | 0.6% | 0.8% | 0.5% | 0.4% | 0.4% | 0.3% | 0.4% |
| cosT | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 1.2% | 0.8% | 0.6% | 0.3% |
| H | 0.4% | 0.3% | 0.3% | 0.3% | 0.3% | 0.3% | 0.3% | 0.3% | 0.3% |
| molecule_atom_index_1_dist_min_div | 0.0% | 0.0% | 0.6% | 0.0% | 0.3% | 0.6% | 0.2% | 0.4% | 0.3% |
| dist | 0.0% | 0.0% | 0.5% | 0.3% | 0.3% | 0.3% | 0.4% | 0.3% | 0.3% |
| atom_1_couples_count | 0.3% | 0.1% | 0.4% | 0.0% | 0.2% | 0.4% | 0.0% | 0.3% | 0.2% |
| N | 0.2% | 0.2% | 0.2% | 0.2% | 0.1% | 0.2% | 0.2% | 0.2% | 0.2% |
| O | 0.2% | 0.2% | 0.2% | 0.2% | 0.2% | 0.2% | 0.2% | 0.2% | 0.2% |
| atom_0_couples_count | 0.3% | 0.1% | 0.3% | 0.1% | 0.1% | 0.3% | 0.2% | 0.1% | 0.2% |
| C | 0.2% | 0.2% | 0.1% | 0.1% | 0.1% | 0.1% | 0.1% | 0.1% | 0.1% |
| mmff94_0 | 0.1% | 0.0% | 0.1% | 0.0% | 0.1% | 0.1% | 0.0% | 0.0% | 0.1% |
| F | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% |
| sp | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% |
| type | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% |
matsuken92
commented
5 years ago STARTING : 2019-06-13 05:12:15
Fold 1 started at Thu Jun 13 05:20:21 2019
[8000] training's l1: 0.275524 valid_1's l1: 0.469715
Fold 2 started at Thu Jun 13 05:45:24 2019
[8000] training's l1: 0.275445 valid_1's l1: 0.47087
Fold 3 started at Thu Jun 13 06:10:52 2019
[8000] training's l1: 0.27503 valid_1's l1: 0.469924
Fold 4 started at Thu Jun 13 06:34:39 2019
[8000] training's l1: 0.275247 valid_1's l1: 0.470253
Fold 5 started at Thu Jun 13 07:00:13 2019
CV mean score: -0.8756, std: 0.0017.
Training of type 0
X_t.shape: (709416, 147), X_test_t.shape: (380609, 147)
Fold 1 started at Thu Jun 13 07:25:46 2019
[15000] training's l1: 0.019366 valid_1's l1: 0.866321
Fold 2 started at Thu Jun 13 07:37:30 2019
[15000] training's l1: 0.0191301 valid_1's l1: 0.870355
Fold 3 started at Thu Jun 13 07:49:18 2019
[15000] training's l1: 0.0191912 valid_1's l1: 0.867929
Fold 4 started at Thu Jun 13 08:00:56 2019
[15000] training's l1: 0.0193442 valid_1's l1: 0.869011
Fold 5 started at Thu Jun 13 08:12:20 2019
CV mean score: -0.1408, std: 0.0017.
Training of type 3
X_t.shape: (378036, 147), X_test_t.shape: (203126, 147)
Fold 1 started at Thu Jun 13 08:24:57 2019
[15000] training's l1: 0.00115351 valid_1's l1: 0.212802
Fold 2 started at Thu Jun 13 08:34:11 2019
[15000] training's l1: 0.00114644 valid_1's l1: 0.213157
Fold 3 started at Thu Jun 13 08:43:30 2019
[15000] training's l1: 0.00114995 valid_1's l1: 0.213095
Fold 4 started at Thu Jun 13 08:52:51 2019
[15000] training's l1: 0.00115019 valid_1's l1: 0.212825
Fold 5 started at Thu Jun 13 09:02:01 2019
CV mean score: -1.5465, std: 0.0007.
Training of type 1
X_t.shape: (43363, 147), X_test_t.shape: (24195, 147)
Fold 1 started at Thu Jun 13 09:12:25 2019
[6562] training's l1: 0.000972868 valid_1's l1: 0.513828
Fold 2 started at Thu Jun 13 09:13:43 2019
[5606] training's l1: 0.00110532 valid_1's l1: 0.520146
Fold 3 started at Thu Jun 13 09:14:51 2019
[7601] training's l1: 0.000906742 valid_1's l1: 0.518258
Fold 4 started at Thu Jun 13 09:16:10 2019
[6771] training's l1: 0.000962967 valid_1's l1: 0.517405
Fold 5 started at Thu Jun 13 09:17:28 2019
CV mean score: -0.6598, std: 0.0044.
Training of type 4
X_t.shape: (119253, 147), X_test_t.shape: (64424, 147)
Fold 1 started at Thu Jun 13 09:19:17 2019
[8205] training's l1: 0.000852979 valid_1's l1: 0.222738
Fold 2 started at Thu Jun 13 09:22:16 2019
[7345] training's l1: 0.000927949 valid_1's l1: 0.223598
Fold 3 started at Thu Jun 13 09:25:05 2019
[11940] training's l1: 0.000677343 valid_1's l1: 0.224487
Fold 4 started at Thu Jun 13 09:28:57 2019
[8405] training's l1: 0.000839033 valid_1's l1: 0.224196
Fold 5 started at Thu Jun 13 09:31:59 2019
CV mean score: -1.4962, std: 0.0033.
Training of type 2
X_t.shape: (1140674, 147), X_test_t.shape: (613138, 147)
Fold 1 started at Thu Jun 13 09:36:14 2019
[15000] training's l1: 0.0221611 valid_1's l1: 0.335969
Fold 2 started at Thu Jun 13 09:51:03 2019
[15000] training's l1: 0.0221469 valid_1's l1: 0.336252
Fold 3 started at Thu Jun 13 10:06:04 2019
[15000] training's l1: 0.0221432 valid_1's l1: 0.33623
Fold 4 started at Thu Jun 13 10:21:02 2019
[15000] training's l1: 0.0221748 valid_1's l1: 0.333912
Fold 5 started at Thu Jun 13 10:36:10 2019
CV mean score: -1.0918, std: 0.0026.
Training of type 6
X_t.shape: (590611, 147), X_test_t.shape: (317435, 147)
Fold 1 started at Thu Jun 13 10:51:54 2019
[15000] training's l1: 0.00264541 valid_1's l1: 0.184185
Fold 2 started at Thu Jun 13 11:03:48 2019
[15000] training's l1: 0.0026492 valid_1's l1: 0.184293
Fold 3 started at Thu Jun 13 11:15:30 2019
[15000] training's l1: 0.00263448 valid_1's l1: 0.1845
Fold 4 started at Thu Jun 13 11:27:25 2019
[15000] training's l1: 0.00264616 valid_1's l1: 0.183882
Fold 5 started at Thu Jun 13 11:39:24 2019
CV mean score: -1.6915, std: 0.0011.
Training of type 5
X_t.shape: (1510379, 147), X_test_t.shape: (811999, 147)
Fold 1 started at Thu Jun 13 11:52:21 2019
[15000] training's l1: 0.0356988 valid_1's l1: 0.313844
Fold 2 started at Thu Jun 13 12:12:15 2019
[15000] training's l1: 0.0357428 valid_1's l1: 0.314336
Fold 3 started at Thu Jun 13 12:32:27 2019
[15000] training's l1: 0.0356953 valid_1's l1: 0.313332
Fold 4 started at Thu Jun 13 12:52:32 2019
[15000] training's l1: 0.0357354 valid_1's l1: 0.31366
Fold 5 started at Thu Jun 13 13:12:25 2019
CV mean score: -1.1589, std: 0.0010.
Training of type 7
X_t.shape: (166415, 147), X_test_t.shape: (90616, 147)
Fold 1 started at Thu Jun 13 13:33:23 2019
[14587] training's l1: 0.000611207 valid_1's l1: 0.154428
Fold 2 started at Thu Jun 13 13:39:00 2019
[14369] training's l1: 0.000615051 valid_1's l1: 0.152621
Fold 3 started at Thu Jun 13 13:44:20 2019
[12589] training's l1: 0.000661184 valid_1's l1: 0.154007
Fold 4 started at Thu Jun 13 13:49:12 2019
[13861] training's l1: 0.000626634 valid_1's l1: 0.152488
Fold 5 started at Thu Jun 13 13:54:33 2019
[10924] training's l1: 0.000720345 valid_1's l1: 0.154056
CV mean score: -1.8739, std: 0.0052.
oof_log_mae: -1.2074376400054934
finished. : 2019-06-13 13:59:58| type_0 | type_1 | type_2 | type_3 | type_4 | type_5 | type_6 | type_7 | ave | |
|---|---|---|---|---|---|---|---|---|---|
| oof_fc | 2.6% | 2.8% | 2.9% | 2.2% | 2.8% | 3.3% | 2.4% | 3.5% | 2.8% |
| f006:dist_origin_mean | 2.3% | 3.3% | 1.6% | 2.5% | 2.5% | 1.8% | 2.1% | 2.7% | 2.3% |
| abs_dist | 2.4% | 2.9% | 1.9% | 2.3% | 2.3% | 1.6% | 1.7% | 1.8% | 2.1% |
| f006:dist_from_origin_0 | 2.2% | 2.3% | 2.0% | 2.2% | 2.2% | 1.9% | 1.8% | 2.0% | 2.1% |
| molecule_dist_mean | 1.9% | 2.7% | 1.3% | 2.1% | 1.9% | 1.5% | 1.9% | 1.9% | 1.9% |
| molecule_dist_max | 1.9% | 2.8% | 1.4% | 2.1% | 2.1% | 1.1% | 1.8% | 1.9% | 1.9% |
| molecule_atom_1_dist_mean | 2.0% | 2.3% | 1.4% | 2.0% | 1.7% | 1.5% | 2.0% | 1.6% | 1.8% |
| f006:dist_from_origin_1 | 1.7% | 1.9% | 1.5% | 2.4% | 1.6% | 1.5% | 2.2% | 1.5% | 1.8% |
| molecule_atom_1_dist_std_diff | 2.4% | 3.0% | 1.4% | 2.4% | 1.6% | 0.7% | 1.1% | 1.3% | 1.7% |
| molecule_atom_index_0_x_1_std | 1.9% | 2.0% | 1.6% | 1.7% | 1.7% | 1.5% | 1.5% | 1.6% | 1.7% |
| molecule_atom_index_0_z_1_std | 1.9% | 1.9% | 1.5% | 1.8% | 1.6% | 1.5% | 1.5% | 1.5% | 1.7% |
| f004:angle_abs | 1.7% | 2.0% | 1.4% | 1.5% | 2.0% | 1.3% | 1.6% | 1.8% | 1.7% |
| dist_xy | 1.8% | 1.8% | 1.5% | 1.8% | 1.9% | 1.3% | 1.5% | 1.5% | 1.6% |
| dist_xz | 2.0% | 2.2% | 1.5% | 1.5% | 1.7% | 1.3% | 1.4% | 1.3% | 1.6% |
| molecule_atom_index_0_y_1_std | 1.8% | 1.8% | 1.4% | 1.6% | 1.6% | 1.4% | 1.4% | 1.6% | 1.6% |
| molecule_atom_index_0_y_1_mean_div | 1.7% | 1.7% | 1.5% | 1.6% | 1.6% | 1.4% | 1.4% | 1.3% | 1.5% |
| dist_yz | 1.7% | 1.8% | 1.4% | 1.6% | 1.6% | 1.3% | 1.4% | 1.4% | 1.5% |
| f004:angle | 1.6% | 1.8% | 1.3% | 1.4% | 1.5% | 1.2% | 1.3% | 1.4% | 1.4% |
| gasteiger_1 | 1.7% | 1.5% | 1.7% | 0.0% | 1.6% | 1.7% | 1.7% | 1.6% | 1.4% |
| z_1 | 1.5% | 1.7% | 1.2% | 1.6% | 1.4% | 1.3% | 1.3% | 1.4% | 1.4% |
| z_0 | 1.5% | 1.4% | 1.3% | 1.4% | 1.6% | 1.2% | 1.3% | 1.5% | 1.4% |
| gasteiger_0 | 1.4% | 1.0% | 1.7% | 1.5% | 1.0% | 1.8% | 1.4% | 1.0% | 1.4% |
| molecule_atom_index_0_y_1_mean_diff | 1.5% | 1.4% | 1.3% | 1.4% | 1.3% | 1.1% | 1.2% | 1.1% | 1.3% |
| x_0 | 1.3% | 1.3% | 1.1% | 1.4% | 1.3% | 1.1% | 1.2% | 1.4% | 1.3% |
| molecule_couples | 1.4% | 1.6% | 1.0% | 1.3% | 1.3% | 1.0% | 1.2% | 1.3% | 1.3% |
| molecule_type_dist_mean_diff | 1.8% | 1.5% | 1.1% | 1.6% | 1.5% | 0.7% | 0.9% | 0.9% | 1.2% |
| molecule_atom_index_0_dist_max | 1.1% | 0.9% | 1.4% | 0.9% | 1.2% | 1.5% | 1.3% | 1.4% | 1.2% |
| x_1 | 1.3% | 1.5% | 1.1% | 1.5% | 1.1% | 1.1% | 1.1% | 1.1% | 1.2% |
| molecule_type_0_dist_std_diff | 0.9% | 1.8% | 1.1% | 1.9% | 1.4% | 0.8% | 1.1% | 0.8% | 1.2% |
| y_0 | 1.2% | 1.1% | 1.1% | 1.4% | 1.2% | 1.1% | 1.1% | 1.2% | 1.2% |
| qtpie_0 | 1.0% | 1.3% | 1.1% | 1.1% | 1.2% | 1.2% | 1.1% | 1.2% | 1.2% |
| qeq_0 | 1.1% | 1.3% | 1.1% | 1.1% | 1.2% | 1.1% | 1.1% | 1.2% | 1.1% |
| eem2015ha_0 | 1.3% | 1.2% | 1.0% | 1.1% | 1.3% | 0.9% | 1.1% | 1.1% | 1.1% |
| molecule_type_dist_min | 0.6% | 0.0% | 1.5% | 1.1% | 0.8% | 1.9% | 1.9% | 1.4% | 1.1% |
| eem2015bm_0 | 1.3% | 1.3% | 0.9% | 1.2% | 1.1% | 0.9% | 1.1% | 1.3% | 1.1% |
| eem2015ha_1 | 1.2% | 1.3% | 1.0% | 1.2% | 1.0% | 1.0% | 1.1% | 1.1% | 1.1% |
| molecule_atom_index_0_dist_mean | 1.0% | 0.6% | 1.2% | 0.8% | 1.1% | 1.4% | 1.2% | 1.4% | 1.1% |
| molecule_type_dist_std_diff | 0.6% | 0.8% | 1.1% | 1.4% | 1.3% | 0.8% | 1.2% | 1.5% | 1.1% |
| z_a1_nb | 1.2% | 1.1% | 1.3% | 0.0% | 1.3% | 1.3% | 1.3% | 1.3% | 1.1% |
| molecule_atom_index_0_dist_std | 1.0% | 0.8% | 1.0% | 0.9% | 1.1% | 1.2% | 1.1% | 1.4% | 1.1% |
| molecule_atom_index_0_y_1_max_diff | 1.3% | 1.3% | 1.1% | 1.0% | 1.1% | 0.9% | 1.1% | 0.8% | 1.1% |
| eem2015ba_0 | 1.2% | 1.1% | 0.9% | 1.1% | 1.2% | 0.9% | 1.1% | 1.1% | 1.1% |
| molecule_type_dist_max | 1.1% | 0.6% | 1.4% | 1.4% | 0.8% | 0.6% | 1.3% | 1.1% | 1.0% |
| z_a0_nb | 0.0% | 0.0% | 1.1% | 1.5% | 1.4% | 1.3% | 1.3% | 1.5% | 1.0% |
| y_1 | 1.1% | 1.1% | 0.9% | 1.3% | 0.8% | 1.0% | 0.9% | 0.9% | 1.0% |
| x_a1_nb | 1.1% | 1.1% | 1.2% | 0.0% | 1.1% | 1.2% | 1.0% | 1.2% | 1.0% |
| eem2015ba_1 | 1.1% | 1.0% | 1.0% | 1.1% | 0.8% | 1.0% | 1.1% | 0.8% | 1.0% |
| eem_0 | 1.2% | 1.3% | 0.8% | 1.0% | 0.9% | 0.8% | 0.9% | 1.0% | 1.0% |
| eem2015hm_0 | 1.2% | 1.2% | 0.8% | 1.0% | 0.9% | 0.8% | 0.9% | 1.0% | 1.0% |
| qtpie_1 | 0.9% | 0.9% | 0.9% | 1.2% | 0.8% | 0.9% | 1.3% | 0.8% | 1.0% |
| qeq_1 | 0.9% | 0.9% | 0.9% | 1.2% | 0.8% | 0.9% | 1.2% | 0.9% | 1.0% |
| molecule_dist_min | 0.9% | 0.4% | 1.0% | 1.4% | 0.7% | 1.0% | 1.2% | 0.7% | 0.9% |
| molecule_atom_index_1_dist_std | 0.9% | 1.1% | 0.8% | 1.1% | 0.7% | 1.0% | 0.9% | 0.9% | 0.9% |
| y_a1_nb | 1.0% | 0.9% | 1.0% | 0.0% | 1.0% | 1.2% | 0.9% | 1.1% | 0.9% |
| molecule_atom_index_1_dist_std_diff | 0.8% | 0.9% | 1.0% | 0.9% | 0.8% | 1.0% | 1.0% | 0.9% | 0.9% |
| eem2015bn_0 | 1.0% | 1.0% | 0.7% | 0.8% | 1.0% | 0.7% | 0.8% | 0.9% | 0.9% |
| x_a0_nb | 0.0% | 0.0% | 1.0% | 1.4% | 1.0% | 1.1% | 1.1% | 1.3% | 0.9% |
| eem2015bm_1 | 0.9% | 0.9% | 0.7% | 1.2% | 0.6% | 0.8% | 1.1% | 0.6% | 0.9% |
| molecule_atom_index_0_dist_std_div | 0.6% | 0.5% | 0.9% | 0.7% | 0.8% | 1.2% | 0.9% | 1.2% | 0.8% |
| eem2015hn_0 | 1.0% | 1.0% | 0.7% | 0.8% | 0.9% | 0.6% | 0.8% | 0.8% | 0.8% |
| molecule_atom_index_0_dist_std_diff | 0.9% | 0.7% | 1.0% | 1.0% | 0.8% | 0.9% | 0.7% | 0.7% | 0.8% |
| molecule_atom_index_1_dist_max | 0.8% | 0.6% | 1.0% | 0.6% | 0.8% | 1.3% | 0.8% | 0.7% | 0.8% |
| molecule_atom_index_0_dist_max_div | 1.1% | 1.1% | 1.1% | 0.9% | 0.9% | 0.5% | 0.6% | 0.3% | 0.8% |
| eem2015hm_1 | 0.8% | 0.9% | 0.7% | 1.0% | 0.6% | 0.7% | 0.9% | 0.6% | 0.8% |
| molecule_atom_index_0_dist_mean_div | 1.0% | 0.7% | 0.9% | 0.7% | 0.8% | 0.8% | 0.6% | 0.7% | 0.8% |
| molecule_atom_index_0_dist_max_diff | 0.8% | 0.8% | 1.0% | 0.8% | 0.9% | 0.7% | 0.7% | 0.4% | 0.8% |
| molecule_atom_index_1_dist_mean | 0.7% | 0.5% | 0.9% | 0.5% | 0.7% | 1.2% | 0.8% | 0.8% | 0.8% |
| molecule_atom_1_dist_min_diff | 1.6% | 0.7% | 0.5% | 1.4% | 0.6% | 0.3% | 0.5% | 0.4% | 0.7% |
| eem_1 | 0.7% | 0.8% | 0.6% | 1.0% | 0.5% | 0.5% | 1.0% | 0.6% | 0.7% |
| eem2015bn_1 | 0.7% | 0.9% | 0.5% | 0.9% | 0.7% | 0.6% | 0.8% | 0.6% | 0.7% |
| y_a0_nb | 0.0% | 0.0% | 0.8% | 1.2% | 0.8% | 1.0% | 0.9% | 0.9% | 0.7% |
| molecule_atom_index_1_dist_std_div | 0.5% | 0.5% | 0.7% | 0.5% | 0.7% | 0.9% | 0.8% | 0.9% | 0.7% |
| molecule_atom_index_0_dist_mean_diff | 0.7% | 0.5% | 0.9% | 0.6% | 0.8% | 0.7% | 0.6% | 0.7% | 0.7% |
| eem2015hn_1 | 0.6% | 0.7% | 0.5% | 0.9% | 0.6% | 0.5% | 0.8% | 0.5% | 0.6% |
| molecule_atom_index_1_dist_min | 0.3% | 0.2% | 0.8% | 0.5% | 0.5% | 0.9% | 1.0% | 0.6% | 0.6% |
| molecule_atom_index_0_dist_min | 0.3% | 0.2% | 0.8% | 0.5% | 0.6% | 1.0% | 0.7% | 0.6% | 0.6% |
| cos2T | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 1.8% | 1.4% | 1.4% | 0.6% |
| molecule_atom_index_1_dist_max_diff | 0.6% | 0.5% | 0.8% | 0.3% | 0.8% | 0.7% | 0.3% | 0.5% | 0.6% |
| molecule_atom_index_1_dist_min_diff | 1.2% | 0.5% | 0.7% | 0.4% | 0.4% | 0.5% | 0.3% | 0.3% | 0.5% |
| molecule_atom_index_1_dist_mean_diff | 0.5% | 0.4% | 0.7% | 0.4% | 0.5% | 0.8% | 0.4% | 0.6% | 0.5% |
| Torsion | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 1.5% | 1.3% | 1.4% | 0.5% |
| molecule_atom_index_1_dist_max_div | 0.9% | 0.6% | 0.8% | 0.1% | 0.7% | 0.5% | 0.2% | 0.3% | 0.5% |
| molecule_atom_index_1_dist_mean_div | 0.6% | 0.4% | 0.6% | 0.1% | 0.5% | 0.7% | 0.3% | 0.6% | 0.5% |
| atom_index_0 | 0.5% | 0.8% | 0.5% | 0.2% | 0.5% | 0.5% | 0.3% | 0.5% | 0.5% |
| Angle | 0.0% | 0.0% | 1.6% | 0.9% | 1.2% | 0.0% | 0.0% | 0.0% | 0.5% |
| mmff94_1 | 0.5% | 0.2% | 0.9% | 0.0% | 0.5% | 1.0% | 0.1% | 0.6% | 0.5% |
| molecule_type_dist_mean_div | 0.1% | 0.0% | 0.6% | 0.2% | 0.5% | 0.6% | 0.7% | 0.8% | 0.4% |
| molecule_atom_1_dist_min_div | 0.2% | 0.0% | 0.7% | 0.2% | 0.5% | 0.5% | 0.7% | 0.5% | 0.4% |
| molecule_atom_index_0_dist_min_div | 0.0% | 0.0% | 0.7% | 0.4% | 0.5% | 0.6% | 0.5% | 0.5% | 0.4% |
| molecule_atom_index_0_dist_min_diff | 0.0% | 0.0% | 0.5% | 0.7% | 0.5% | 0.3% | 0.3% | 0.3% | 0.3% |
| atom_index_1 | 0.4% | 0.2% | 0.4% | 0.3% | 0.2% | 0.5% | 0.3% | 0.2% | 0.3% |
| dist_to_type_mean | 0.5% | 0.5% | 0.3% | 0.3% | 0.3% | 0.2% | 0.2% | 0.2% | 0.3% |
| cosT | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 1.1% | 0.8% | 0.5% | 0.3% |
| H | 0.4% | 0.3% | 0.3% | 0.3% | 0.3% | 0.2% | 0.3% | 0.2% | 0.3% |
| molecule_atom_index_1_dist_min_div | 0.0% | 0.0% | 0.6% | 0.0% | 0.2% | 0.6% | 0.2% | 0.3% | 0.3% |
| atom_1_couples_count | 0.3% | 0.1% | 0.4% | 0.0% | 0.2% | 0.4% | 0.0% | 0.2% | 0.2% |
| N | 0.2% | 0.2% | 0.2% | 0.2% | 0.1% | 0.2% | 0.2% | 0.1% | 0.2% |
| O | 0.2% | 0.2% | 0.2% | 0.2% | 0.1% | 0.2% | 0.2% | 0.1% | 0.2% |
| dist | 0.0% | 0.0% | 0.3% | 0.2% | 0.2% | 0.2% | 0.2% | 0.2% | 0.2% |
| atom_0_couples_count | 0.2% | 0.1% | 0.3% | 0.1% | 0.1% | 0.3% | 0.2% | 0.1% | 0.2% |
| C | 0.2% | 0.2% | 0.1% | 0.1% | 0.1% | 0.1% | 0.1% | 0.1% | 0.1% |
| a0_nb_nb_c | 0.0% | 0.0% | 0.1% | 0.0% | 0.0% | 0.1% | 0.1% | 0.0% | 0.0% |
| mmff94_0 | 0.0% | 0.0% | 0.1% | 0.0% | 0.0% | 0.1% | 0.0% | 0.0% | 0.0% |
| a0_nb_inring5 | 0.0% | 0.0% | 0.1% | 0.0% | 0.0% | 0.1% | 0.0% | 0.0% | 0.0% |
| a1_inring4 | 0.1% | 0.0% | 0.1% | 0.0% | 0.0% | 0.1% | 0.0% | 0.0% | 0.0% |
| a1_inring5 | 0.1% | 0.0% | 0.1% | 0.0% | 0.0% | 0.1% | 0.0% | 0.0% | 0.0% |
| a0_nb_nb_n | 0.0% | 0.0% | 0.1% | 0.0% | 0.0% | 0.1% | 0.0% | 0.0% | 0.0% |
| a0_nb_inring4 | 0.0% | 0.0% | 0.1% | 0.0% | 0.0% | 0.1% | 0.0% | 0.0% | 0.0% |
| a1_nb_nb_c | 0.0% | 0.0% | 0.1% | 0.0% | 0.0% | 0.0% | 0.1% | 0.0% | 0.0% |
| a1_inring3 | 0.0% | 0.0% | 0.1% | 0.0% | 0.0% | 0.1% | 0.0% | 0.0% | 0.0% |
| a1_nb_nb_h | 0.0% | 0.0% | 0.1% | 0.0% | 0.0% | 0.0% | 0.1% | 0.0% | 0.0% |
| a1_nb_c | 0.0% | 0.0% | 0.1% | 0.0% | 0.0% | 0.1% | 0.0% | 0.0% | 0.0% |
| a0_nb_nb_h | 0.0% | 0.0% | 0.1% | 0.0% | 0.0% | 0.1% | 0.0% | 0.0% | 0.0% |
| a1_nb_n | 0.0% | 0.0% | 0.1% | 0.0% | 0.0% | 0.1% | 0.0% | 0.0% | 0.0% |
| a0_nb_inring6 | 0.0% | 0.0% | 0.1% | 0.0% | 0.0% | 0.1% | 0.0% | 0.0% | 0.0% |
| a1_inring6 | 0.0% | 0.0% | 0.1% | 0.0% | 0.0% | 0.1% | 0.0% | 0.0% | 0.0% |
| a0_nb_nb_o | 0.0% | 0.0% | 0.1% | 0.0% | 0.0% | 0.1% | 0.0% | 0.0% | 0.0% |
| a1_nb_nb_n | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.1% | 0.0% | 0.0% |
| a1_nb_nb_o | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% |
| a1_nb_o | 0.0% | 0.0% | 0.1% | 0.0% | 0.0% | 0.1% | 0.0% | 0.0% | 0.0% |
| a1_nb_inring5 | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.1% | 0.0% | 0.0% |
| a0_nb_inring | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% |
| a1_nb_inring4 | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.1% | 0.0% | 0.0% |
| a1_nb_degree | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% |
| a1_inring7 | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% |
| a0_nb_inring3 | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.1% | 0.0% | 0.0% | 0.0% |
| a1_degree | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% |
| a1_inring | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% |
| a0_nb_inring7 | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% |
| a1_nb_inring3 | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% |
| a1_nb_inring6 | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% |
| a1_nb_h | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% |
| F | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% |
| a1_nb_hybridization | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% |
| a1_hybridization | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% |
| a0_nb_hybridization | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% |
| a1_inring8 | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% |
| a1_nb_inring | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% |
| a0_nb_inring8 | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% |
| a1_nb_inring7 | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% |
| a0_nb_degree | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% |
| a1_nb_inring8 | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% |
| a1_nb_na | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% |
| sp | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% |
| a1_nb_nb_na | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% |
| type | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% |
| a0_nb_nb_na | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% |
matsuken92
commented
5 years ago [500] training's l1: 0.566029 valid_1's l1: 0.589641 [1000] training's l1: 0.478477 valid_1's l1: 0.517248 [1500] training's l1: 0.429449 valid_1's l1: 0.480525 [2000] training's l1: 0.394687 valid_1's l1: 0.456913 [2500] training's l1: 0.368058 valid_1's l1: 0.440431 [3000] training's l1: 0.345617 valid_1's l1: 0.427161 [3500] training's l1: 0.32731 valid_1's l1: 0.417293 [4000] training's l1: 0.311112 valid_1's l1: 0.408887 [4500] training's l1: 0.296723 valid_1's l1: 0.401715 [5000] training's l1: 0.283922 valid_1's l1: 0.395972 [5500] training's l1: 0.272583 valid_1's l1: 0.391227 [6000] training's l1: 0.262024 valid_1's l1: 0.386568 [6500] training's l1: 0.252317 valid_1's l1: 0.382687 [7000] training's l1: 0.243352 valid_1's l1: 0.379186 [7500] training's l1: 0.235024 valid_1's l1: 0.376095 [8000] training's l1: 0.227153 valid_1's l1: 0.373319 Did not meet early stopping. Best iteration is: [8000] training's l1: 0.227153 valid_1's l1: 0.373319
v003_025 HOLD_OUT score: -1.0758
add "sum_radius", "tda_cocycles_shape", "tda_max_radius", "tda_mean_radius", "tda_min_radius", "tda_num_circle"
[500] training's l1: 0.563407 valid_1's l1: 0.587388 [1000] training's l1: 0.477219 valid_1's l1: 0.516854 [1500] training's l1: 0.427973 valid_1's l1: 0.480503 [2000] training's l1: 0.393202 valid_1's l1: 0.456683 [2500] training's l1: 0.366525 valid_1's l1: 0.440105 [3000] training's l1: 0.344808 valid_1's l1: 0.427501 [3500] training's l1: 0.326128 valid_1's l1: 0.417173 [4000] training's l1: 0.309906 valid_1's l1: 0.408808 [4500] training's l1: 0.295743 valid_1's l1: 0.402032 [5000] training's l1: 0.282954 valid_1's l1: 0.396243 [5500] training's l1: 0.271474 valid_1's l1: 0.391291 [6000] training's l1: 0.260916 valid_1's l1: 0.386974 [6500] training's l1: 0.251339 valid_1's l1: 0.383271 [7000] training's l1: 0.242284 valid_1's l1: 0.379728 [7500] training's l1: 0.233908 valid_1's l1: 0.376693 [8000] training's l1: 0.225893 valid_1's l1: 0.373774 Did not meet early stopping. Best iteration is: [8000] training's l1: 0.225893 valid_1's l1: 0.373774 v003_026HOLD_OUT score: -1.0781 .
[500] training's l1: 0.564218 valid_1's l1: 0.587363 [1000] training's l1: 0.476771 valid_1's l1: 0.515268 [1500] training's l1: 0.427689 valid_1's l1: 0.479324 [2000] training's l1: 0.393346 valid_1's l1: 0.456341 [2500] training's l1: 0.366496 valid_1's l1: 0.439514 [3000] training's l1: 0.344709 valid_1's l1: 0.426899 [3500] training's l1: 0.325971 valid_1's l1: 0.41646 [4000] training's l1: 0.309585 valid_1's l1: 0.40771 [4500] training's l1: 0.295316 valid_1's l1: 0.400746 [5000] training's l1: 0.28251 valid_1's l1: 0.394671 [5500] training's l1: 0.271071 valid_1's l1: 0.389632 [6000] training's l1: 0.260586 valid_1's l1: 0.385247 [6500] training's l1: 0.250897 valid_1's l1: 0.381341 [7000] training's l1: 0.241896 valid_1's l1: 0.37798 [7500] training's l1: 0.233551 valid_1's l1: 0.37485 [8000] training's l1: 0.225663 valid_1's l1: 0.371988 Did not meet early stopping. Best iteration is: [8000] training's l1: 0.225663 valid_1's l1: 0.371988 v003_028HOLD_OUT score: -1.0816 .
[500] training's l1: 0.544537 valid_1's l1: 0.567271 [1000] training's l1: 0.460407 valid_1's l1: 0.49808 [1500] training's l1: 0.411908 valid_1's l1: 0.461823 [2000] training's l1: 0.37895 valid_1's l1: 0.440118 [2500] training's l1: 0.353092 valid_1's l1: 0.424013 [3000] training's l1: 0.331885 valid_1's l1: 0.411772 [3500] training's l1: 0.31368 valid_1's l1: 0.401764 [4000] training's l1: 0.298216 valid_1's l1: 0.3939 [4500] training's l1: 0.284504 valid_1's l1: 0.387557 [5000] training's l1: 0.272024 valid_1's l1: 0.381773 [5500] training's l1: 0.260994 valid_1's l1: 0.37712 [6000] training's l1: 0.250798 valid_1's l1: 0.372839 [6500] training's l1: 0.241187 valid_1's l1: 0.369066 [7000] training's l1: 0.232459 valid_1's l1: 0.365779 [7500] training's l1: 0.224269 valid_1's l1: 0.362654 [8000] training's l1: 0.216631 valid_1's l1: 0.359984 Did not meet early stopping. Best iteration is: [8000] training's l1: 0.216631 valid_1's l1: 0.359984 v003_029HOLD_OUT score: -1.1120 .
[LightGBM] [Warning] num_threads is set=-1, n_jobs=-1 will be ignored. Current value: num_threads=-1 Training until validation scores don't improve for 200 rounds. [500] training's l1: 0.565497 valid_1's l1: 0.590105 [1000] training's l1: 0.479003 valid_1's l1: 0.518853 [1500] training's l1: 0.429585 valid_1's l1: 0.482372 [2000] training's l1: 0.394412 valid_1's l1: 0.458456 [2500] training's l1: 0.367211 valid_1's l1: 0.44135 [3000] training's l1: 0.345316 valid_1's l1: 0.429041 [3500] training's l1: 0.326603 valid_1's l1: 0.418916 [4000] training's l1: 0.310245 valid_1's l1: 0.410607 [4500] training's l1: 0.295665 valid_1's l1: 0.403374 [5000] training's l1: 0.282766 valid_1's l1: 0.397506 [5500] training's l1: 0.271163 valid_1's l1: 0.392556 [6000] training's l1: 0.26057 valid_1's l1: 0.388205 [6500] training's l1: 0.250659 valid_1's l1: 0.384267 [7000] training's l1: 0.241611 valid_1's l1: 0.380885 [7500] training's l1: 0.233248 valid_1's l1: 0.377946 [8000] training's l1: 0.225284 valid_1's l1: 0.375133 Did not meet early stopping. Best iteration is: [8000] training's l1: 0.225284 valid_1's l1: 0.375133 v003_030HOLD_OUT score: -1.0682 .
matsuken92
commented
5 years ago train_v003_003.py : LB -1.056
train_v003_004.py ⇒ n_fold = 5 → n_fold = 3 ⇒ 1st layer: n_estimators=8000 → n_estimators=3000 ⇒ 2nd layer: n_estimators=15000 → n_estimators=5000
train_v004_001.py ⇒ train data augmentation with train2 : processed/v004
train_v004_002.py : LB 0.6 惨敗・・・ train data augmentation with train2 ⇒ n_fold = 3 → n_fold = 5 ⇒ 1st layer: n_estimators=3000 → n_estimators=10000 ⇒ 2nd layer: n_estimators=5000 → n_estimators=20000
train_v003_005.py ⇒ train_v003_004.py に babel_train、babel_testと諸々特徴量追加
train_v003_006.py ⇒ train_v003_005.pyにob_charges.csvの追加
train_v003_007.py ⇒ train_v003_006.py にたいして2ndモデルをxgboost化
train_v003_008.py ⇒ train_v003_006.py に rdkit_train、rdkit_test 追加
train_v003_009.py ⇒ train_v003_008.py はrdkit_colsをgood_colsに入れ忘れるというミスをしたのでやりなおし
train_v003_010.py ⇒ train_v003_009.pyにtrain augmentation(augmented_train_v001.py)を適用 ⇒ GroupKFoldしないとLeakしていた・・・
train_v003_011.py ⇒ train_v003_010.pyのGroupKFold版
train_v003_017.py ⇒ train_v003_009.py にcoulomb_featを追加 CV : -1.5089, LB -1.757
train_v003_018.py ⇒ bond_calc_featの採用
train_v003_019.py ⇒ train_v003_018.py を GroupKFoldに CV: -1.468 LB: -1.728
train_v003_021.py ⇒ all data LB: -1.659
train_v003_022.py ⇒ all data seed ave 7 LB : -1.864
train_v003_023.py ⇒ tda_feat ⇒ CV -1.5139, LB: -1.766
train_v003_024 ⇒ train_v003_022.py all data に対して tda_feat を適用して seed ave
train_valid_v003_025.py CV: 1.0758 ⇒ train_v003_024を特徴量選択用にhold outでscore計算できるようにしたもの
train_valid_v003_026.py CV:1.0781 ⇒ tda featを追加 "sum_radius", "tda_cocycles_shape", "tda_max_radius", "tda_mean_radius", "tda_min_radius", "tda_num_circle"
train_valid_v003_027.py ⇒ adversarial validation
train_valid_v003_028.py CV:1.0816 ⇒ train_valid_v003_026.pyのtda featをmin, maxだけにしたもの
holdout v003_029 CV: 1.1120 ⇒ reduce mem usageを修正
holdout v003_030 CV: 1.0682(もうちょっと良いはず) ⇒ pca_feat導入
train_v003_031 ⇒ pca導入、reduce mem usage修正を入れて ALL TRAIN & seed ave
train_valid_v003_032.py CV: -1.1074 ⇒ permutation importanceで効果のないcolumnを除外してみる
train_valid_v003_033.py CV: -1.1183 ⇒ permutation importanceで効果のないcolumnを除外してみる その２
train_valid_v003_034.py CV: -1.1426 ⇒ permutation importanceで効果のないcolumnを除外してみる その3
train_valid_v003_035.py CV: -1.1628 . ⇒ permutation importanceで効果のないcolumnを除外してみる その4
train_v003_036 ⇒ permutation importanceで効果のないcolumnを除外 ALL TRAIN & seed ave
train_valid_v003_037 ⇒ validをtype別に分けるbase line確認
train_valid_v003_038 ⇒ validをtype別depth, num_leavesを変えることのsearch
train_valid_v003_039.py ⇒ MLPお試し ⇒ CV全然ダメ・・・。途中でやめた。
holdout v003_029 CV: 1.1120 ⇒ reduce mem usageを修正
holdout v003_030 CV: 1.0682(もうちょっと良いはず) ⇒ pca_feat導入
train_v003_031 ⇒ pca導入、reduce mem usage修正を入れて ALL TRAIN & seed ave
train_valid_v003_032.py CV: -1.1074 ⇒ permutation importanceで効果のないcolumnを除外してみる
train_valid_v003_033.py CV: -1.1183 ⇒ permutation importanceで効果のないcolumnを除外してみる その２
train_valid_v003_034.py CV: -1.1426 ⇒ permutation importanceで効果のないcolumnを除外してみる その3
train_valid_v003_035.py CV: -1.1628 . ⇒ permutation importanceで効果のないcolumnを除外してみる その4
train_v003_036 ⇒ permutation importanceで効果のないcolumnを除外 ALL TRAIN & seed ave
train_valid_v003_037 ⇒ validをtype別に分けるbase line確認
train_valid_v003_038 ⇒ validをtype別depth, num_leavesを変えることのsearch
train_valid_v003_039.py ⇒ MLPお試し ⇒ CV全然ダメ・・・。途中でやめた。
train_valid_v003_041.py CV: -1.2896 ⇒ lgb type別num_leaves効果チェック ⇒ いい感じにnum_leavesをtype別にすると-1.5149 https://github.com/matsuken92/molecular/issues/6#issuecomment-507782170
train_valid_v003_042.py Holdout: -1.1342 ⇒ type splitなしの実験
train_valid_v003_043.py CV: -1.5149 ⇒ typeごとにnum_leavesを指定 importance_all_V003_043.xlsx nohup_v003_043.out.txt
train_v003_044 ⇒ oof_fcの算出(type別) ⇒ all data(type別) ⇒ めっちゃ時間かかる・・・
train_valid_v003_045.py CV: -1.3925719 ⇒ typeごとにnum_leavesを指定 w/yiemon feat importance_all_v003_045.xlsx nohup_v003_045.out.txt
train_valid_v003_046.py CV: 測定中 ⇒ yemon faet imporatnce上位のみ利用 atm_dist_min_all_of_nn 2J2nd_AverageBondAngle 2J2nd_SmallestBondAngle d_ratio_0_all_comb_min inM_atm0_atm_d_var d_diff_0_all_comb_min gasteiger_max_min_ratio
train_valid_v003_048.py ⇒ 2段階 base line
train_valid_v003_049.py ⇒ 2段階 mullkan1, mullkan2, fc → holdout ⇒ type:0 以外は精度向上
| type | v003_049 | type0 no mullken |
|---|---|---|
| 0 | -0.4923 | -0.6281023 |
| 1 | -1.2356 | -1.2356 |
| 2 | -1.5185 | -1.5185 |
| 3 | -2.1063 | -2.1063 |
| 4 | -1.9051 | -1.9051 |
| 5 | -1.4799 | -1.4799 |
| 6 | -2.0131 | -2.0131 |
| 7 | -2.1672 | -2.1672 |
| ave | -1.61475 | -1.6317253 |
train_v003_050.py ⇒ 2段階 mullkan1, mullkan2, fc → all data (type 0 : no mullken)
train_v003_052.py ⇒ yiemon feat 1j2j3j hold out
train_v003_053.py ⇒ no yiemon feat hold out for compare
train_v003_054.py ⇒ yiemon feat 1j2j3j hold out ⇒ num_leaves 256, max_depth=-1
train_v003_055.py LB: -1.874 ⇒ yiemon feat 1j2j3j CV : cv score: -1.5841730 ⇒ num_leaves 256, max_depth=-1
train_v003_056.py LB: -1.813 ⇒ without yiemon feat 1j2j3j CV : cv score: -1.5310483 ⇒ num_leaves 256, max_depth=-1
train_v003_057.py LB: xxxx ⇒ yiemon feat 1j2j3j CV : cv score: -1.58087 ⇒ add mullken oof from train_v003_055.py
train_v004_001.py ⇒ basic feature for baseline of augment CV: -0.523706 ⇒ num_leaves 256, max_depth=-1
train_v004_002.py
⇒ z axis augment CV: -0.5349
⇒ num_leaves 256, max_depth=-1
train_v004_003.py ⇒ y axis augment CV: xxx ⇒ num_leaves 256, max_depth=-1
matsuken92
commented
5 years ago 
| type | num_leaves | score |
|---|---|---|
| 0 | 8 | -0.6261 |
| 1 | 8 | -1.1679 |
| 2 | 16 | -1.3788 |
| 3 | 8 | -1.9578 |
| 4 | 8 | -1.6824 |
| 5 | 16 | -1.3118 |
| 6 | 8 | -1.9195 |
| 7 | 16 | -2.0746 |
| -1.5149 |
v003_042 without type split : Holdout: -1.1342
STARTING : 2019-07-02 18:00:54
X.shape: (4658147, 95), X_test.shape: (2505542, 95)
LGBMRegressor(bagging_seed=72, boosting_type='gbdt', class_weight=None,
colsample_bytree=1.0, feature_fraction_seed=73,
importance_type='gain', learning_rate=0.2, max_depth=9,
metric='mae', min_child_samples=79, min_child_weight=0.001,
min_split_gain=0.0, n_estimators=128000, n_jobs=-1, num_leaves=8,
num_threads=-1, objective='regression', random_state=None,
reg_alpha=0.1, reg_lambda=0.3, seed=71, silent=True, subsample=0.9,
subsample_for_bin=200000, subsample_freq=1, verbosity=-1)
[LightGBM] [Warning] num_threads is set=-1, n_jobs=-1 will be ignored. Current value: num_threads=-1
Did not meet early stopping. Best iteration is:
[128000] training's l1: 0.255779 valid_1's l1: 0.34963
v003_042HOLD_OUT score: -1.1342 .
train_v003_057.py LB: - ⇒ yiemon feat 1j2j3j + pca_v002 CV : cv score: - ⇒ num_leaves 256, max_depth=-1
train_v003_059.py LB: -1.856 ⇒ yiemon feat 1j2j3j HnJ CV : cv score: -1.5654 ⇒ num_leaves 256, max_depth=-1
train_v003_064.py LB: -1.889 ⇒ yiemon feat 1j2j3j HnJ train_v003_059のimportanceの高いものだけ CV : cv score: -1.59941 ⇒ num_leaves 256, max_depth=-1 nohup_v003_064.out.txt
train_v003_067.py LB: -1.897 ⇒ train_v003_064にcircle featureを追加 CV : cv score: -1.6077
train_v003_072.py LB: -1.897 ⇒ Objectiveをhuberに CV : cv score: -1.63236
train_all_v003_074.py LB: -2.073 (25 seeds) ⇒ train_v003_072をベースに全データ学習
train_v003_075.py LB: xxx ⇒ train_v003_067をベースに下記を追加 seg_H2J_stats_feat2_train.pkl seg_H3J_stats_feat2_train.pkl seg_H2J_stats_feat2_test.pkl seg_H3J_stats_feat2_test.pkl fc CV mean score: -1.3420, std: 0.0048. CV : cv score: -1.62411
train_v003_076.py LB: xxx ⇒ train_v003_075.py から追加特徴を上位importanceに絞る fc CV mean score: -1.3426, std: 0.0046., CV : cv score: -1.62323
train_v003_077.py LB: xxx ⇒ train_v003_076.py からfcもtype別に
train_v003_078.py LB: -1.964 ⇒ train_v003_076.py からseg_H1J_bond_extension1を追加 ⇒ CV: -1.6617
train_v003_079.py LB: xxx ⇒ train_v003_078.py からseg_H1J_bond_extension1を重要度高いものに絞る ⇒ CV: -1.67293
train_v003_080.py LB: -1.977 ⇒ train_v003_079.py からさらに全体の特徴からも重要度高いものに絞る ⇒ CV: -1.68498
train_v003_082.py LB: xxx さらに特徴量を重要度で削減
train_v003_083.py LB: xxx n_estimatorを増やす
train_v003_083.py LB: xxx 'max_bin': 64,
train_v003_085.py LB: xxx y_fcをtarget(scalar_coupling_constant)にしてみる
train_v003_096.py LB: ⇒ train_v003_080.py をベースにfc無くしたらどうなるか確認
古い履歴