440 lines
28 KiB
Plaintext
440 lines
28 KiB
Plaintext
nohup: ignoring input
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/root/micromamba/envs/rapids-25.02/lib/python3.12/site-packages/numpy/_core/fromnumeric.py:86: RuntimeWarning: overflow encountered in reduce
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return ufunc.reduce(obj, axis, dtype, out, **passkwargs)
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Number of training samples: 81, Number of features: 1584
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/root/micromamba/envs/rapids-25.02/lib/python3.12/site-packages/cuml/internals/api_decorators.py:363: UserWarning: For reproducible results in Random Forest Classifier or for almost reproducible results in Random Forest Regressor, n_streams=1 is recommended. If n_streams is > 1, results may vary due to stream/thread timing differences, even when random_state is set
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return init_func(self, *args, **kwargs)
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/root/micromamba/envs/rapids-25.02/lib/python3.12/site-packages/cuml/internals/api_decorators.py:188: UserWarning: The number of bins, `n_bins` is greater than the number of samples used for training. Changing `n_bins` to number of training samples.
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ret = func(*args, **kwargs)
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/root/micromamba/envs/rapids-25.02/lib/python3.12/site-packages/cuml/internals/api_decorators.py:188: UserWarning: To use pickling first train using float32 data to fit the estimator
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ret = func(*args, **kwargs)
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n_estimators: 50, CV MSE: 5.0093
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n_estimators: 100, CV MSE: 4.9995
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n_estimators: 150, CV MSE: 4.8997
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n_estimators: 200, CV MSE: 4.8784
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n_estimators: 250, CV MSE: 4.8236
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n_estimators: 300, CV MSE: 4.8723
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n_estimators: 350, CV MSE: 4.8596
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n_estimators: 400, CV MSE: 4.8351
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n_estimators: 450, CV MSE: 4.7580
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n_estimators: 500, CV MSE: 4.7537
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n_estimators: 550, CV MSE: 4.7942
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n_estimators: 600, CV MSE: 4.7599
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n_estimators: 650, CV MSE: 4.7505
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n_estimators: 700, CV MSE: 4.7408
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n_estimators: 750, CV MSE: 4.7413
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Optimal number of trees determined: 700
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Current number of features: 1584, CV MSE: 4.7408
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Removed feature index: 838, feature name: Xpc-4d, permutation importance: -0.0004
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Current number of features: 1583, CV MSE: 4.6966
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Removed feature index: 480, feature name: MATS6Z, permutation importance: -0.0006
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Current number of features: 1582, CV MSE: 4.7043
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Removed feature index: 143, feature name: AATS6d, permutation importance: -0.0006
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Current number of features: 1581, CV MSE: 4.6785
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Removed feature index: 1548, feature name: JGI10, permutation importance: -0.0011
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Current number of features: 1580, CV MSE: 4.7631
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Removed feature index: 502, feature name: MATS4se, permutation importance: -0.0004
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Current number of features: 1579, CV MSE: 4.7362
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Removed feature index: 1485, feature name: piPC8, permutation importance: -0.0007
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Current number of features: 1578, CV MSE: 4.6719
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Removed feature index: 1552, feature name: TopoShapeIndex, permutation importance: -0.0013
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Current number of features: 1577, CV MSE: 4.7239
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Removed feature index: 587, feature name: GATS1v, permutation importance: -0.0011
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Current number of features: 1576, CV MSE: 4.7571
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Removed feature index: 411, feature name: AATSC4pe, permutation importance: -0.0008
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Current number of features: 1575, CV MSE: 4.7356
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Removed feature index: 514, feature name: MATS8pe, permutation importance: -0.0006
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Current number of features: 1574, CV MSE: 4.7726
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Removed feature index: 615, feature name: GATS5are, permutation importance: -0.0012
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Current number of features: 1573, CV MSE: 4.7926
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Removed feature index: 381, feature name: AATSC1m, permutation importance: -0.0007
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Current number of features: 1572, CV MSE: 4.7121
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Removed feature index: 743, feature name: LogEE_Dzp, permutation importance: -0.0005
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Current number of features: 1571, CV MSE: 4.7646
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Removed feature index: 264, feature name: ATSC1Z, permutation importance: -0.0006
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Current number of features: 1570, CV MSE: 4.7046
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Removed feature index: 405, feature name: AATSC7se, permutation importance: -0.0004
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Current number of features: 1569, CV MSE: 4.7808
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Removed feature index: 1459, feature name: AMID_N, permutation importance: -0.0007
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Current number of features: 1568, CV MSE: 4.7405
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Removed feature index: 443, feature name: MATS1c, permutation importance: -0.0006
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Current number of features: 1567, CV MSE: 4.7050
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Removed feature index: 127, feature name: ATS8i, permutation importance: -0.0004
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Current number of features: 1566, CV MSE: 4.7673
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Removed feature index: 859, feature name: AXp-7d, permutation importance: -0.0004
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Current number of features: 1565, CV MSE: 4.7651
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Removed feature index: 1439, feature name: MDEC-24, permutation importance: -0.0007
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Current number of features: 1564, CV MSE: 4.7482
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Removed feature index: 52, feature name: ATS5s, permutation importance: -0.0005
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Current number of features: 1563, CV MSE: 4.7837
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Removed feature index: 38, feature name: ATS0d, permutation importance: -0.0005
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Current number of features: 1562, CV MSE: 4.7034
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Removed feature index: 265, feature name: ATSC2Z, permutation importance: -0.0008
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Current number of features: 1561, CV MSE: 4.7295
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Removed feature index: 599, feature name: GATS5se, permutation importance: -0.0006
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Current number of features: 1560, CV MSE: 4.6719
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Removed feature index: 1469, feature name: MPC3, permutation importance: -0.0005
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Current number of features: 1559, CV MSE: 4.6791
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Removed feature index: 54, feature name: ATS7s, permutation importance: -0.0003
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Current number of features: 1558, CV MSE: 4.7538
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Removed feature index: 1482, feature name: piPC5, permutation importance: -0.0004
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Current number of features: 1557, CV MSE: 4.7190
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Removed feature index: 1573, feature name: SRW09, permutation importance: -0.0011
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Current number of features: 1556, CV MSE: 4.7419
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Removed feature index: 1443, feature name: MDEO-11, permutation importance: -0.0013
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Current number of features: 1555, CV MSE: 4.6916
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Removed feature index: 640, feature name: BCUTd-1l, permutation importance: -0.0005
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Current number of features: 1554, CV MSE: 4.7348
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Removed feature index: 84, feature name: ATS1se, permutation importance: -0.0009
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Current number of features: 1553, CV MSE: 4.7559
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Removed feature index: 1159, feature name: ETA_dEpsilon_C, permutation importance: -0.0007
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Current number of features: 1552, CV MSE: 4.6940
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Removed feature index: 312, feature name: ATSC4are, permutation importance: -0.0004
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Current number of features: 1551, CV MSE: 4.7394
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Removed feature index: 711, feature name: VR3_Dzse, permutation importance: -0.0003
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Current number of features: 1550, CV MSE: 4.7018
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Removed feature index: 1569, feature name: SRW05, permutation importance: -0.0006
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Current number of features: 1549, CV MSE: 4.7631
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Removed feature index: 195, feature name: AATS4pe, permutation importance: -0.0007
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Current number of features: 1548, CV MSE: 4.6922
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Removed feature index: 912, feature name: VE1_D, permutation importance: -0.0003
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Current number of features: 1547, CV MSE: 4.7595
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Removed feature index: 489, feature name: MATS7m, permutation importance: -0.0005
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Current number of features: 1546, CV MSE: 4.7736
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Removed feature index: 277, feature name: ATSC5m, permutation importance: -0.0004
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Current number of features: 1545, CV MSE: 4.7581
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Removed feature index: 462, feature name: MATS4d, permutation importance: -0.0005
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Current number of features: 1544, CV MSE: 4.7859
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Removed feature index: 1491, feature name: nRing, permutation importance: -0.0006
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Current number of features: 1543, CV MSE: 4.7428
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Removed feature index: 1496, feature name: nHRing, permutation importance: -0.0004
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Current number of features: 1542, CV MSE: 4.7104
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Removed feature index: 273, feature name: ATSC1m, permutation importance: -0.0005
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Current number of features: 1541, CV MSE: 4.7248
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Removed feature index: 1130, feature name: ETA_beta_ns, permutation importance: -0.0002
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Current number of features: 1540, CV MSE: 4.6885
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Removed feature index: 178, feature name: AATS5v, permutation importance: -0.0004
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Current number of features: 1539, CV MSE: 4.8158
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Removed feature index: 564, feature name: GATS2s, permutation importance: -0.0006
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Current number of features: 1538, CV MSE: 4.7011
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Removed feature index: 39, feature name: ATS1d, permutation importance: -0.0002
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Current number of features: 1537, CV MSE: 4.6854
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Removed feature index: 1553, feature name: PetitjeanIndex, permutation importance: -0.0008
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Current number of features: 1536, CV MSE: 4.7146
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Removed feature index: 475, feature name: MATS1Z, permutation importance: -0.0007
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Current number of features: 1535, CV MSE: 4.7505
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Removed feature index: 257, feature name: ATSC3s, permutation importance: -0.0007
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Current number of features: 1534, CV MSE: 4.7280
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Removed feature index: 1451, feature name: MDEN-33, permutation importance: -0.0007
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Current number of features: 1533, CV MSE: 4.7057
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Removed feature index: 140, feature name: AATS3d, permutation importance: -0.0006
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Current number of features: 1532, CV MSE: 4.7394
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Removed feature index: 541, feature name: GATS3c, permutation importance: -0.0004
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Current number of features: 1531, CV MSE: 4.7413
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Removed feature index: 274, feature name: ATSC2m, permutation importance: -0.0005
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Current number of features: 1530, CV MSE: 4.7741
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Removed feature index: 428, feature name: AATSC3p, permutation importance: -0.0012
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Current number of features: 1529, CV MSE: 4.7614
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Removed feature index: 725, feature name: SpAbs_Dzare, permutation importance: -0.0005
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Current number of features: 1528, CV MSE: 4.7016
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Removed feature index: 1492, feature name: n5Ring, permutation importance: -0.0013
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Current number of features: 1527, CV MSE: 4.6610
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Removed feature index: 606, feature name: GATS4pe, permutation importance: -0.0003
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Current number of features: 1526, CV MSE: 4.6935
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Removed feature index: 1409, feature name: SlogP_VSA5, permutation importance: -0.0003
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Current number of features: 1525, CV MSE: 4.6822
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Removed feature index: 45, feature name: ATS7d, permutation importance: -0.0003
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Current number of features: 1524, CV MSE: 4.7425
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Removed feature index: 366, feature name: AATSC4s, permutation importance: -0.0005
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Current number of features: 1523, CV MSE: 4.7362
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Removed feature index: 913, feature name: VE2_D, permutation importance: -0.0008
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Current number of features: 1522, CV MSE: 4.7451
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Removed feature index: 1125, feature name: ETA_shape_x, permutation importance: -0.0004
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Current number of features: 1521, CV MSE: 4.7343
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Removed feature index: 125, feature name: ATS6i, permutation importance: -0.0003
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Current number of features: 1520, CV MSE: 4.7197
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Removed feature index: 666, feature name: SM1_DzZ, permutation importance: -0.0004
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Current number of features: 1519, CV MSE: 4.7424
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Removed feature index: 362, feature name: AATSC0s, permutation importance: -0.0011
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Current number of features: 1518, CV MSE: 4.7019
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Removed feature index: 327, feature name: ATSC1i, permutation importance: -0.0002
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Current number of features: 1517, CV MSE: 4.6816
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Removed feature index: 1520, feature name: n10FaRing, permutation importance: -0.0005
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Current number of features: 1516, CV MSE: 4.6621
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Removed feature index: 668, feature name: VE2_DzZ, permutation importance: -0.0007
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Current number of features: 1515, CV MSE: 4.6665
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Removed feature index: 738, feature name: SpAbs_Dzp, permutation importance: -0.0004
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Current number of features: 1514, CV MSE: 4.7090
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Removed feature index: 1219, feature name: Kier1, permutation importance: -0.0011
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Current number of features: 1513, CV MSE: 4.6307
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Removed feature index: 620, feature name: GATS2p, permutation importance: -0.0006
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Current number of features: 1512, CV MSE: 4.6479
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Removed feature index: 1401, feature name: SMR_VSA5, permutation importance: -0.0011
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Current number of features: 1511, CV MSE: 4.6492
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Removed feature index: 1481, feature name: piPC4, permutation importance: -0.0006
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Current number of features: 1510, CV MSE: 4.6239
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Removed feature index: 652, feature name: BCUTpe-1l, permutation importance: -0.0003
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Current number of features: 1509, CV MSE: 4.6049
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Removed feature index: 940, feature name: SsCH3, permutation importance: -0.0004
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Current number of features: 1508, CV MSE: 4.5819
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Removed feature index: 1400, feature name: SMR_VSA4, permutation importance: -0.0002
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Current number of features: 1507, CV MSE: 4.5943
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Removed feature index: 402, feature name: AATSC4se, permutation importance: -0.0005
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Current number of features: 1506, CV MSE: 4.6624
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Removed feature index: 1391, feature name: PEOE_VSA7, permutation importance: -0.0008
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Current number of features: 1505, CV MSE: 4.6406
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Removed feature index: 851, feature name: Xp-7d, permutation importance: -0.0005
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Current number of features: 1504, CV MSE: 4.6292
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Removed feature index: 454, feature name: MATS4dv, permutation importance: -0.0006
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Current number of features: 1503, CV MSE: 4.6360
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Removed feature index: 1151, feature name: ETA_dAlpha_B, permutation importance: -0.0004
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Current number of features: 1502, CV MSE: 4.6520
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Removed feature index: 331, feature name: ATSC5i, permutation importance: -0.0006
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Current number of features: 1501, CV MSE: 4.7139
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Removed feature index: 117, feature name: ATS7p, permutation importance: -0.0006
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Current number of features: 1500, CV MSE: 4.6561
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Removed feature index: 372, feature name: AATSC1Z, permutation importance: -0.0003
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Current number of features: 1499, CV MSE: 4.6721
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Removed feature index: 1149, feature name: AETA_eta_BR, permutation importance: -0.0003
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Current number of features: 1498, CV MSE: 4.6795
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Removed feature index: 1142, feature name: ETA_eta_F, permutation importance: -0.0005
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Current number of features: 1497, CV MSE: 4.7844
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Removed feature index: 582, feature name: GATS4m, permutation importance: -0.0011
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Current number of features: 1496, CV MSE: 4.7075
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Removed feature index: 1436, feature name: MDEC-14, permutation importance: -0.0003
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Current number of features: 1495, CV MSE: 4.6947
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Removed feature index: 1422, feature name: EState_VSA9, permutation importance: -0.0004
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Current number of features: 1494, CV MSE: 4.7023
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Removed feature index: 118, feature name: ATS8p, permutation importance: -0.0007
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Current number of features: 1493, CV MSE: 4.7223
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Removed feature index: 598, feature name: GATS4se, permutation importance: -0.0003
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Current number of features: 1492, CV MSE: 4.6745
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Removed feature index: 648, feature name: BCUTv-1l, permutation importance: -0.0005
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Current number of features: 1491, CV MSE: 4.6116
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Removed feature index: 1131, feature name: AETA_beta_ns, permutation importance: -0.0004
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Current number of features: 1490, CV MSE: 4.6133
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Removed feature index: 1386, feature name: PEOE_VSA2, permutation importance: -0.0005
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Current number of features: 1489, CV MSE: 4.6540
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Removed feature index: 483, feature name: MATS1m, permutation importance: -0.0006
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Current number of features: 1488, CV MSE: 4.6624
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Removed feature index: 404, feature name: AATSC6se, permutation importance: -0.0003
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Current number of features: 1487, CV MSE: 4.6889
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Removed feature index: 850, feature name: Xp-6d, permutation importance: -0.0002
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Current number of features: 1486, CV MSE: 4.7536
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Removed feature index: 918, feature name: NsCH3, permutation importance: -0.0002
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Current number of features: 1485, CV MSE: 4.7067
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Removed feature index: 354, feature name: AATSC1d, permutation importance: -0.0004
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Current number of features: 1484, CV MSE: 4.7071
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Removed feature index: 545, feature name: GATS7c, permutation importance: -0.0003
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Current number of features: 1483, CV MSE: 4.6293
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Removed feature index: 739, feature name: SpMax_Dzp, permutation importance: -0.0005
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Current number of features: 1482, CV MSE: 4.6397
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Removed feature index: 1418, feature name: EState_VSA5, permutation importance: -0.0012
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Current number of features: 1481, CV MSE: 4.6266
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Removed feature index: 80, feature name: ATS6v, permutation importance: -0.0006
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Current number of features: 1480, CV MSE: 4.6790
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Removed feature index: 365, feature name: AATSC3s, permutation importance: -0.0006
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Current number of features: 1479, CV MSE: 4.7413
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Removed feature index: 1458, feature name: MID_N, permutation importance: -0.0009
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Current number of features: 1478, CV MSE: 4.7158
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Removed feature index: 53, feature name: ATS6s, permutation importance: -0.0004
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Current number of features: 1477, CV MSE: 4.6457
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Removed feature index: 970, feature name: MAXssCH2, permutation importance: -0.0006
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Current number of features: 1476, CV MSE: 4.7165
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Removed feature index: 1554, feature name: Vabc, permutation importance: -0.0014
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Current number of features: 1475, CV MSE: 4.6917
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Removed feature index: 142, feature name: AATS5d, permutation importance: -0.0009
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Current number of features: 1474, CV MSE: 4.7456
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Removed feature index: 557, feature name: GATS3d, permutation importance: -0.0008
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Current number of features: 1473, CV MSE: 4.7615
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Removed feature index: 55, feature name: ATS8s, permutation importance: -0.0006
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Current number of features: 1472, CV MSE: 4.6528
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Removed feature index: 747, feature name: VE3_Dzp, permutation importance: -0.0006
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Current number of features: 1471, CV MSE: 4.6895
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Removed feature index: 1488, feature name: TpiPC10, permutation importance: -0.0018
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Current number of features: 1470, CV MSE: 4.6958
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Removed feature index: 369, feature name: AATSC7s, permutation importance: -0.0004
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Current number of features: 1469, CV MSE: 4.6495
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Removed feature index: 1423, feature name: EState_VSA10, permutation importance: -0.0008
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Current number of features: 1468, CV MSE: 4.6500
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Removed feature index: 705, feature name: SM1_Dzse, permutation importance: -0.0003
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Current number of features: 1467, CV MSE: 4.7322
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Removed feature index: 440, feature name: AATSC6i, permutation importance: -0.0009
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Current number of features: 1466, CV MSE: 4.7124
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Removed feature index: 758, feature name: VE1_Dzi, permutation importance: -0.0004
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Current number of features: 1465, CV MSE: 4.6730
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Removed feature index: 1516, feature name: n10FRing, permutation importance: -0.0004
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Current number of features: 1464, CV MSE: 4.6217
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Removed feature index: 629, feature name: GATS3i, permutation importance: -0.0005
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Current number of features: 1463, CV MSE: 4.6421
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Removed feature index: 202, feature name: AATS2are, permutation importance: -0.0006
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Current number of features: 1462, CV MSE: 4.6546
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Removed feature index: 112, feature name: ATS2p, permutation importance: -0.0002
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Current number of features: 1461, CV MSE: 4.6592
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Removed feature index: 991, feature name: MAXsssN, permutation importance: -0.0003
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Current number of features: 1460, CV MSE: 4.6333
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Removed feature index: 667, feature name: VE1_DzZ, permutation importance: -0.0004
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Current number of features: 1459, CV MSE: 4.6854
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Removed feature index: 693, feature name: VE1_Dzv, permutation importance: -0.0004
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Current number of features: 1458, CV MSE: 4.7177
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Removed feature index: 1427, feature name: VSA_EState4, permutation importance: -0.0009
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Current number of features: 1457, CV MSE: 4.6270
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Removed feature index: 760, feature name: VE3_Dzi, permutation importance: -0.0005
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Current number of features: 1456, CV MSE: 4.6105
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Removed feature index: 1502, feature name: n5aRing, permutation importance: -0.0005
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Current number of features: 1455, CV MSE: 4.6937
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Removed feature index: 133, feature name: AATS5dv, permutation importance: -0.0007
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Current number of features: 1454, CV MSE: 4.6819
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Removed feature index: 413, feature name: AATSC6pe, permutation importance: -0.0008
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Current number of features: 1453, CV MSE: 4.7072
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Removed feature index: 1431, feature name: VSA_EState8, permutation importance: -0.0005
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Current number of features: 1452, CV MSE: 4.6580
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Removed feature index: 689, feature name: SpAD_Dzv, permutation importance: -0.0005
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Current number of features: 1451, CV MSE: 4.6055
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Removed feature index: 761, feature name: VR1_Dzi, permutation importance: -0.0005
|
|
Current number of features: 1450, CV MSE: 4.6514
|
|
Removed feature index: 1139, feature name: AETA_eta_R, permutation importance: -0.0004
|
|
Current number of features: 1449, CV MSE: 4.6433
|
|
Removed feature index: 79, feature name: ATS5v, permutation importance: -0.0007
|
|
Current number of features: 1448, CV MSE: 4.7335
|
|
Removed feature index: 879, feature name: Sse, permutation importance: -0.0004
|
|
Current number of features: 1447, CV MSE: 4.6651
|
|
Removed feature index: 536, feature name: MATS6i, permutation importance: -0.0006
|
|
Current number of features: 1446, CV MSE: 4.6874
|
|
Removed feature index: 1144, feature name: ETA_eta_FL, permutation importance: -0.0007
|
|
Current number of features: 1445, CV MSE: 4.5945
|
|
Removed feature index: 537, feature name: MATS7i, permutation importance: -0.0007
|
|
Current number of features: 1444, CV MSE: 4.6317
|
|
Removed feature index: 608, feature name: GATS6pe, permutation importance: -0.0003
|
|
Current number of features: 1443, CV MSE: 4.6586
|
|
Removed feature index: 1571, feature name: SRW07, permutation importance: -0.0004
|
|
Current number of features: 1442, CV MSE: 4.6345
|
|
Removed feature index: 1183, feature name: TIC0, permutation importance: -0.0006
|
|
Current number of features: 1441, CV MSE: 4.6148
|
|
Removed feature index: 867, feature name: Xp-7dv, permutation importance: -0.0005
|
|
Current number of features: 1440, CV MSE: 4.5690
|
|
Removed feature index: 831, feature name: Xc-4d, permutation importance: -0.0005
|
|
Current number of features: 1439, CV MSE: 4.5304
|
|
Removed feature index: 1515, feature name: nFRing, permutation importance: -0.0004
|
|
Current number of features: 1438, CV MSE: 4.5318
|
|
Removed feature index: 1398, feature name: SMR_VSA1, permutation importance: -0.0003
|
|
Current number of features: 1437, CV MSE: 4.5718
|
|
Removed feature index: 612, feature name: GATS2are, permutation importance: -0.0007
|
|
Current number of features: 1436, CV MSE: 4.6386
|
|
Removed feature index: 880, feature name: Spe, permutation importance: -0.0012
|
|
Current number of features: 1435, CV MSE: 4.6319
|
|
Removed feature index: 1128, feature name: ETA_beta_s, permutation importance: -0.0004
|
|
Current number of features: 1434, CV MSE: 4.6775
|
|
Removed feature index: 1452, feature name: MID, permutation importance: -0.0018
|
|
Current number of features: 1433, CV MSE: 4.5917
|
|
Removed feature index: 229, feature name: ATSC2c, permutation importance: -0.0013
|
|
Current number of features: 1432, CV MSE: 4.5472
|
|
Removed feature index: 1140, feature name: ETA_eta_RL, permutation importance: -0.0016
|
|
Current number of features: 1431, CV MSE: 4.6167
|
|
Removed feature index: 96, feature name: ATS4pe, permutation importance: -0.0003
|
|
Current number of features: 1430, CV MSE: 4.5679
|
|
Removed feature index: 332, feature name: ATSC6i, permutation importance: -0.0002
|
|
Current number of features: 1429, CV MSE: 4.6749
|
|
Removed feature index: 1438, feature name: MDEC-23, permutation importance: -0.0007
|
|
Current number of features: 1428, CV MSE: 4.6044
|
|
Removed feature index: 1511, feature name: nAHRing, permutation importance: -0.0003
|
|
Current number of features: 1427, CV MSE: 4.6656
|
|
Removed feature index: 488, feature name: MATS6m, permutation importance: -0.0004
|
|
Current number of features: 1426, CV MSE: 4.5585
|
|
Removed feature index: 632, feature name: GATS6i, permutation importance: -0.0003
|
|
Current number of features: 1425, CV MSE: 4.5894
|
|
Removed feature index: 1453, feature name: AMID, permutation importance: -0.0004
|
|
Current number of features: 1424, CV MSE: 4.6253
|
|
Removed feature index: 695, feature name: VE3_Dzv, permutation importance: -0.0003
|
|
Current number of features: 1423, CV MSE: 4.6098
|
|
Removed feature index: 258, feature name: ATSC4s, permutation importance: -0.0007
|
|
Current number of features: 1422, CV MSE: 4.5865
|
|
Removed feature index: 740, feature name: SpDiam_Dzp, permutation importance: -0.0004
|
|
Current number of features: 1421, CV MSE: 4.5996
|
|
Removed feature index: 881, feature name: Sare, permutation importance: -0.0011
|
|
Current number of features: 1420, CV MSE: 4.6106
|
|
Removed feature index: 882, feature name: Sp, permutation importance: -0.0006
|
|
Current number of features: 1419, CV MSE: 4.6540
|
|
Removed feature index: 757, feature name: SM1_Dzi, permutation importance: -0.0005
|
|
Current number of features: 1418, CV MSE: 4.5761
|
|
Removed feature index: 622, feature name: GATS4p, permutation importance: -0.0006
|
|
Current number of features: 1417, CV MSE: 4.5569
|
|
Removed feature index: 1551, feature name: Radius, permutation importance: -0.0007
|
|
Current number of features: 1416, CV MSE: 4.6690
|
|
Removed feature index: 518, feature name: MATS4are, permutation importance: -0.0006
|
|
Current number of features: 1415, CV MSE: 4.6091
|
|
Removed feature index: 1556, feature name: MWC01, permutation importance: -0.0003
|
|
Current number of features: 1414, CV MSE: 4.6313
|
|
Removed feature index: 455, feature name: MATS5dv, permutation importance: -0.0004
|
|
Current number of features: 1413, CV MSE: 4.5825
|
|
Removed feature index: 1429, feature name: VSA_EState6, permutation importance: -0.0004
|
|
Current number of features: 1412, CV MSE: 4.5629
|
|
Removed feature index: 706, feature name: VE1_Dzse, permutation importance: -0.0002
|
|
Current number of features: 1411, CV MSE: 4.5472
|
|
Removed feature index: 837, feature name: Xc-6dv, permutation importance: -0.0003
|
|
Current number of features: 1410, CV MSE: 4.5862
|
|
Removed feature index: 236, feature name: ATSC0dv, permutation importance: -0.0004
|
|
Current number of features: 1409, CV MSE: 4.5659
|
|
Removed feature index: 1126, feature name: ETA_beta, permutation importance: -0.0009
|
|
Current number of features: 1408, CV MSE: 4.5708
|
|
Removed feature index: 1213, feature name: ZMIC0, permutation importance: -0.0010
|
|
Current number of features: 1407, CV MSE: 4.5203
|
|
Removed feature index: 482, feature name: MATS8Z, permutation importance: -0.0006
|
|
Current number of features: 1406, CV MSE: 4.6020
|
|
Removed feature index: 1498, feature name: n6HRing, permutation importance: -0.0004
|
|
Current number of features: 1405, CV MSE: 4.5667
|
|
Removed feature index: 1480, feature name: piPC3, permutation importance: -0.0007
|
|
Current number of features: 1404, CV MSE: 4.6956
|
|
Removed feature index: 703, feature name: SpMAD_Dzse, permutation importance: -0.0006
|
|
Current number of features: 1403, CV MSE: 4.6069
|
|
Removed feature index: 510, feature name: MATS4pe, permutation importance: -0.0004
|
|
Current number of features: 1402, CV MSE: 4.6253
|
|
Removed feature index: 597, feature name: GATS3se, permutation importance: -0.0007
|
|
Current number of features: 1401, CV MSE: 4.5574
|
|
Removed feature index: 149, feature name: AATS3s, permutation importance: -0.0005
|
|
Current number of features: 1400, CV MSE: 4.5471
|
|
Removed feature index: 77, feature name: ATS3v, permutation importance: -0.0003
|
|
Current number of features: 1399, CV MSE: 4.5425
|
|
Traceback (most recent call last):
|
|
File "/root/project/qsar/1d-qsar/cuda/mordred/RFE_cuml_permutation_mordred.py", line 193, in <module>
|
|
best_features_rfecv, best_mse_rfecv, history, perm_imp_history, removed_feature_names = manual_rfecv(
|
|
^^^^^^^^^^^^^
|
|
File "/root/project/qsar/1d-qsar/cuda/mordred/RFE_cuml_permutation_mordred.py", line 180, in manual_rfecv
|
|
imp = permutation_importance_gpu(model, X_data[:, features], y_data, n_repeats=3, random_state=0)
|
|
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
|
|
File "/root/project/qsar/1d-qsar/cuda/mordred/RFE_cuml_permutation_mordred.py", line 100, in permutation_importance_gpu
|
|
score = model_mse(model, X_permuted_gpu, y_data)
|
|
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
|
|
File "/root/project/qsar/1d-qsar/cuda/mordred/RFE_cuml_permutation_mordred.py", line 82, in model_mse
|
|
y_pred = model.predict(X_data)
|
|
^^^^^^^^^^^^^^^^^^^^^
|
|
File "/root/micromamba/envs/rapids-25.02/lib/python3.12/site-packages/cuml/internals/api_decorators.py", line 188, in wrapper
|
|
ret = func(*args, **kwargs)
|
|
^^^^^^^^^^^^^^^^^^^^^
|
|
File "/root/micromamba/envs/rapids-25.02/lib/python3.12/site-packages/nvtx/nvtx.py", line 122, in inner
|
|
result = func(*args, **kwargs)
|
|
^^^^^^^^^^^^^^^^^^^^^
|
|
File "/root/micromamba/envs/rapids-25.02/lib/python3.12/site-packages/cuml/internals/api_decorators.py", line 411, in dispatch
|
|
return self.dispatch_func(func_name, gpu_func, *args, **kwargs)
|
|
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
|
|
File "/root/micromamba/envs/rapids-25.02/lib/python3.12/site-packages/cuml/internals/api_decorators.py", line 190, in wrapper
|
|
return func(*args, **kwargs)
|
|
^^^^^^^^^^^^^^^^^^^^^
|
|
File "base.pyx", line 789, in cuml.internals.base.UniversalBase.dispatch_func
|
|
File "randomforestregressor.pyx", line 617, in cuml.ensemble.randomforestregressor.RandomForestRegressor.predict
|
|
File "/root/micromamba/envs/rapids-25.02/lib/python3.12/site-packages/cuml/internals/api_decorators.py", line 188, in wrapper
|
|
ret = func(*args, **kwargs)
|
|
^^^^^^^^^^^^^^^^^^^^^
|
|
File "randomforest_common.pyx", line 398, in cuml.ensemble.randomforest_common.BaseRandomForestModel._predict_model_on_gpu
|
|
File "/root/micromamba/envs/rapids-25.02/lib/python3.12/site-packages/cuml/internals/api_decorators.py", line 190, in wrapper
|
|
return func(*args, **kwargs)
|
|
^^^^^^^^^^^^^^^^^^^^^
|
|
File "fil.pyx", line 1105, in cuml.fil.fil.ForestInference.load_using_treelite_handle
|
|
File "fil.pyx", line 572, in cuml.fil.fil.ForestInference_impl.load_using_treelite_handle
|
|
MemoryError: std::bad_alloc: out_of_memory: CUDA error at: /root/micromamba/envs/rapids-25.02/include/rmm/mr/device/cuda_memory_resource.hpp
|
|
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|
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