Mercurial > repos > bgruening > sklearn_train_test_split

annotate search_model_validation.py @ 11:5da2217cd788 draft

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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
author bgruening
date Wed, 09 Aug 2023 13:33:25 +0000
parents 3312fb686ffb
children
Ignore whitespace changes - Everywhere: Within whitespace: At end of lines:
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0985b0dd6f1a "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
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1 import argparse
0985b0dd6f1a "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
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2 import json
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3 import os
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4 import sys
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5 import warnings
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6 from distutils.version import LooseVersion as Version
6
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7
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8 import imblearn
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9 import joblib
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10 import numpy as np
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11 import pandas as pd
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12 import skrebate
11
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13 from galaxy_ml import __version__ as galaxy_ml_version
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14 from galaxy_ml.binarize_target import IRAPSClassifier
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15 from galaxy_ml.model_persist import dump_model_to_h5, load_model_from_h5
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16 from galaxy_ml.utils import (
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17 clean_params,
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18 get_cv,
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19 get_main_estimator,
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20 get_module,
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21 get_scoring,
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22 read_columns,
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23 SafeEval,
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24 try_get_attr
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25 )
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26 from scipy.io import mmread
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27 from sklearn import (
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28 cluster,
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29 decomposition,
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30 feature_selection,
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31 kernel_approximation,
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32 model_selection,
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33 preprocessing,
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34 )
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35 from sklearn.exceptions import FitFailedWarning
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36 from sklearn.model_selection import _search, _validation
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37 from sklearn.model_selection._validation import _score, cross_validate
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38 from sklearn.preprocessing import LabelEncoder
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39 from skopt import BayesSearchCV
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40
6
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41 N_JOBS = int(os.environ.get("GALAXY_SLOTS", 1))
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42 # handle disk cache
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43 CACHE_DIR = os.path.join(os.getcwd(), "cached")
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44 NON_SEARCHABLE = (
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45 "n_jobs",
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46 "pre_dispatch",
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47 "memory",
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48 "_path",
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49 "_dir",
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50 "nthread",
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51 "callbacks",
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52 )
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54
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55 def _eval_search_params(params_builder):
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56 search_params = {}
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57
6
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58 for p in params_builder["param_set"]:
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59 search_list = p["sp_list"].strip()
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60 if search_list == "":
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61 continue
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62
6
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63 param_name = p["sp_name"]
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64 if param_name.lower().endswith(NON_SEARCHABLE):
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65 print(
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66 "Warning: `%s` is not eligible for search and was "
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67 "omitted!" % param_name
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68 )
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69 continue
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70
6
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71 if not search_list.startswith(":"):
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72 safe_eval = SafeEval(load_scipy=True, load_numpy=True)
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73 ev = safe_eval(search_list)
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74 search_params[param_name] = ev
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75 else:
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76 # Have `:` before search list, asks for estimator evaluatio
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77 safe_eval_es = SafeEval(load_estimators=True)
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78 search_list = search_list[1:].strip()
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79 # TODO maybe add regular express check
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80 ev = safe_eval_es(search_list)
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81 preprocessings = (
6
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82 preprocessing.StandardScaler(),
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83 preprocessing.Binarizer(),
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84 preprocessing.MaxAbsScaler(),
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85 preprocessing.Normalizer(),
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86 preprocessing.MinMaxScaler(),
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87 preprocessing.PolynomialFeatures(),
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88 preprocessing.RobustScaler(),
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89 feature_selection.SelectKBest(),
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90 feature_selection.GenericUnivariateSelect(),
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91 feature_selection.SelectPercentile(),
6
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bgruening
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diff changeset
92 feature_selection.SelectFpr(),
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bgruening
parents: 2
diff changeset
93 feature_selection.SelectFdr(),
0
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bgruening
parents:
diff changeset
94 feature_selection.SelectFwe(),
0985b0dd6f1a "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
bgruening
parents:
diff changeset
95 feature_selection.VarianceThreshold(),
0985b0dd6f1a "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
bgruening
parents:
diff changeset
96 decomposition.FactorAnalysis(random_state=0),
0985b0dd6f1a "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
bgruening
parents:
diff changeset
97 decomposition.FastICA(random_state=0),
0985b0dd6f1a "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
bgruening
parents:
diff changeset
98 decomposition.IncrementalPCA(),
0985b0dd6f1a "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
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diff changeset
99 decomposition.KernelPCA(random_state=0, n_jobs=N_JOBS),
6
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
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diff changeset
100 decomposition.LatentDirichletAllocation(random_state=0, n_jobs=N_JOBS),
7
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diff changeset
101 decomposition.MiniBatchDictionaryLearning(
3312fb686ffb "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ea12f973df4b97a2691d9e4ce6bf6fae59d57717"
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diff changeset
102 random_state=0, n_jobs=N_JOBS
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diff changeset
103 ),
6
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diff changeset
104 decomposition.MiniBatchSparsePCA(random_state=0, n_jobs=N_JOBS),
0
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diff changeset
105 decomposition.NMF(random_state=0),
0985b0dd6f1a "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
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diff changeset
106 decomposition.PCA(random_state=0),
0985b0dd6f1a "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
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diff changeset
107 decomposition.SparsePCA(random_state=0, n_jobs=N_JOBS),
0985b0dd6f1a "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
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diff changeset
108 decomposition.TruncatedSVD(random_state=0),
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diff changeset
109 kernel_approximation.Nystroem(random_state=0),
0985b0dd6f1a "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
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diff changeset
110 kernel_approximation.RBFSampler(random_state=0),
0985b0dd6f1a "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
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diff changeset
111 kernel_approximation.AdditiveChi2Sampler(),
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112 kernel_approximation.SkewedChi2Sampler(random_state=0),
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diff changeset
113 cluster.FeatureAgglomeration(),
0985b0dd6f1a "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
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diff changeset
114 skrebate.ReliefF(n_jobs=N_JOBS),
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diff changeset
115 skrebate.SURF(n_jobs=N_JOBS),
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diff changeset
116 skrebate.SURFstar(n_jobs=N_JOBS),
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diff changeset
117 skrebate.MultiSURF(n_jobs=N_JOBS),
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118 skrebate.MultiSURFstar(n_jobs=N_JOBS),
6
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diff changeset
119 imblearn.under_sampling.ClusterCentroids(random_state=0, n_jobs=N_JOBS),
7
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diff changeset
120 imblearn.under_sampling.CondensedNearestNeighbour(
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diff changeset
121 random_state=0, n_jobs=N_JOBS
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diff changeset
122 ),
11
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diff changeset
123 imblearn.under_sampling.EditedNearestNeighbours(n_jobs=N_JOBS),
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124 imblearn.under_sampling.RepeatedEditedNearestNeighbours(n_jobs=N_JOBS),
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125 imblearn.under_sampling.AllKNN(n_jobs=N_JOBS),
7
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diff changeset
126 imblearn.under_sampling.InstanceHardnessThreshold(
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127 random_state=0, n_jobs=N_JOBS
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diff changeset
128 ),
11
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diff changeset
129 imblearn.under_sampling.NearMiss(n_jobs=N_JOBS),
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130 imblearn.under_sampling.NeighbourhoodCleaningRule(n_jobs=N_JOBS),
7
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diff changeset
131 imblearn.under_sampling.OneSidedSelection(
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diff changeset
132 random_state=0, n_jobs=N_JOBS
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diff changeset
133 ),
6
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diff changeset
134 imblearn.under_sampling.RandomUnderSampler(random_state=0),
11
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diff changeset
135 imblearn.under_sampling.TomekLinks(n_jobs=N_JOBS),
0
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136 imblearn.over_sampling.ADASYN(random_state=0, n_jobs=N_JOBS),
11
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diff changeset
137 imblearn.over_sampling.BorderlineSMOTE(random_state=0, n_jobs=N_JOBS),
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diff changeset
138 imblearn.over_sampling.KMeansSMOTE(random_state=0, n_jobs=N_JOBS),
0
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139 imblearn.over_sampling.RandomOverSampler(random_state=0),
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diff changeset
140 imblearn.over_sampling.SMOTE(random_state=0, n_jobs=N_JOBS),
11
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diff changeset
141 imblearn.over_sampling.SMOTEN(random_state=0, n_jobs=N_JOBS),
7
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diff changeset
142 imblearn.over_sampling.SMOTENC(
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diff changeset
143 categorical_features=[], random_state=0, n_jobs=N_JOBS
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diff changeset
144 ),
11
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diff changeset
145 imblearn.over_sampling.SVMSMOTE(random_state=0, n_jobs=N_JOBS),
0
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146 imblearn.combine.SMOTEENN(random_state=0),
6
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diff changeset
147 imblearn.combine.SMOTETomek(random_state=0),
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bgruening
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diff changeset
148 )
0
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diff changeset
149 newlist = []
0985b0dd6f1a "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
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150 for obj in ev:
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151 if obj is None:
0985b0dd6f1a "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
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152 newlist.append(None)
6
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153 elif obj == "all_0":
0
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154 newlist.extend(preprocessings[0:35])
6
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155 elif obj == "sk_prep_all": # no KernalCenter()
0
0985b0dd6f1a "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
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156 newlist.extend(preprocessings[0:7])
6
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157 elif obj == "fs_all":
0
0985b0dd6f1a "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
bgruening
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158 newlist.extend(preprocessings[7:14])
6
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bgruening
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diff changeset
159 elif obj == "decomp_all":
0
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160 newlist.extend(preprocessings[14:25])
6
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bgruening
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diff changeset
161 elif obj == "k_appr_all":
0
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162 newlist.extend(preprocessings[25:29])
6
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163 elif obj == "reb_all":
0
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164 newlist.extend(preprocessings[30:35])
6
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165 elif obj == "imb_all":
0
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166 newlist.extend(preprocessings[35:54])
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167 elif type(obj) is int and -1 < obj < len(preprocessings):
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168 newlist.append(preprocessings[obj])
6
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169 elif hasattr(obj, "get_params"): # user uploaded object
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170 if "n_jobs" in obj.get_params():
0
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171 newlist.append(obj.set_params(n_jobs=N_JOBS))
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172 else:
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173 newlist.append(obj)
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174 else:
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diff changeset
175 sys.exit("Unsupported estimator type: %r" % (obj))
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176
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177 search_params[param_name] = newlist
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178
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179 return search_params
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180
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181
6
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182 def _handle_X_y(
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183 estimator,
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184 params,
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185 infile1,
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186 infile2,
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187 loaded_df={},
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188 ref_seq=None,
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189 intervals=None,
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190 targets=None,
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191 fasta_path=None,
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192 ):
2
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193 """read inputs
0
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194
2
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195 Params
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196 -------
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197 estimator : estimator object
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198 params : dict
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199 Galaxy tool parameter inputs
0
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200 infile1 : str
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201 File path to dataset containing features
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202 infile2 : str
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203 File path to dataset containing target values
2
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204 loaded_df : dict
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205 Contains loaded DataFrame objects with file path as keys
0
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206 ref_seq : str
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207 File path to dataset containing genome sequence file
2
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208 interval : str
0
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209 File path to dataset containing interval file
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210 targets : str
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211 File path to dataset compressed target bed file
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212 fasta_path : str
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213 File path to dataset containing fasta file
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214
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215
2
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216 Returns
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217 -------
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218 estimator : estimator object after setting new attributes
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219 X : numpy array
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220 y : numpy array
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221 """
0
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222 estimator_params = estimator.get_params()
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223
6
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224 input_type = params["input_options"]["selected_input"]
0
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225 # tabular input
6
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226 if input_type == "tabular":
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227 header = "infer" if params["input_options"]["header1"] else None
7
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228 column_option = params["input_options"]["column_selector_options_1"][
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229 "selected_column_selector_option"
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230 ]
6
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231 if column_option in [
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232 "by_index_number",
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233 "all_but_by_index_number",
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234 "by_header_name",
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235 "all_but_by_header_name",
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236 ]:
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237 c = params["input_options"]["column_selector_options_1"]["col1"]
0
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238 else:
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239 c = None
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240
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241 df_key = infile1 + repr(header)
2
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242
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243 if df_key in loaded_df:
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244 infile1 = loaded_df[df_key]
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245
6
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246 df = pd.read_csv(infile1, sep="\t", header=header, parse_dates=True)
0
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247 loaded_df[df_key] = df
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248
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249 X = read_columns(df, c=c, c_option=column_option).astype(float)
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250 # sparse input
6
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251 elif input_type == "sparse":
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252 X = mmread(open(infile1, "r"))
0
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253
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254 # fasta_file input
6
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255 elif input_type == "seq_fasta":
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256 pyfaidx = get_module("pyfaidx")
0
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257 sequences = pyfaidx.Fasta(fasta_path)
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258 n_seqs = len(sequences.keys())
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259 X = np.arange(n_seqs)[:, np.newaxis]
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260 for param in estimator_params.keys():
6
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261 if param.endswith("fasta_path"):
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262 estimator.set_params(**{param: fasta_path})
0
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263 break
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264 else:
0985b0dd6f1a "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
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265 raise ValueError(
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266 "The selected estimator doesn't support "
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267 "fasta file input! Please consider using "
0985b0dd6f1a "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
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268 "KerasGBatchClassifier with "
0985b0dd6f1a "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
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269 "FastaDNABatchGenerator/FastaProteinBatchGenerator "
0985b0dd6f1a "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
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270 "or having GenomeOneHotEncoder/ProteinOneHotEncoder "
6
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271 "in pipeline!"
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272 )
0
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273
6
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274 elif input_type == "refseq_and_interval":
0
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275 path_params = {
6
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276 "data_batch_generator__ref_genome_path": ref_seq,
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277 "data_batch_generator__intervals_path": intervals,
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278 "data_batch_generator__target_path": targets,
0
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279 }
0985b0dd6f1a "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
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280 estimator.set_params(**path_params)
0985b0dd6f1a "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
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281 n_intervals = sum(1 for line in open(intervals))
0985b0dd6f1a "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
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282 X = np.arange(n_intervals)[:, np.newaxis]
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283
0985b0dd6f1a "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
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284 # Get target y
6
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285 header = "infer" if params["input_options"]["header2"] else None
7
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286 column_option = params["input_options"]["column_selector_options_2"][
3312fb686ffb "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ea12f973df4b97a2691d9e4ce6bf6fae59d57717"
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287 "selected_column_selector_option2"
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288 ]
6
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289 if column_option in [
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
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290 "by_index_number",
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291 "all_but_by_index_number",
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
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292 "by_header_name",
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293 "all_but_by_header_name",
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294 ]:
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295 c = params["input_options"]["column_selector_options_2"]["col2"]
0
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296 else:
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297 c = None
0985b0dd6f1a "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
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298
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299 df_key = infile2 + repr(header)
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300 if df_key in loaded_df:
0985b0dd6f1a "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
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301 infile2 = loaded_df[df_key]
0985b0dd6f1a "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
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302 else:
6
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303 infile2 = pd.read_csv(infile2, sep="\t", header=header, parse_dates=True)
0
0985b0dd6f1a "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
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304 loaded_df[df_key] = infile2
0985b0dd6f1a "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
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305
7
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306 y = read_columns(
11
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307 infile2,
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308 c=c,
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309 c_option=column_option,
5da2217cd788 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
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diff changeset
310 sep="\t",
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311 header=header,
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312 parse_dates=True,
7
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diff changeset
313 )
0
0985b0dd6f1a "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
bgruening
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314 if len(y.shape) == 2 and y.shape[1] == 1:
0985b0dd6f1a "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
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315 y = y.ravel()
6
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316 if input_type == "refseq_and_interval":
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diff changeset
317 estimator.set_params(data_batch_generator__features=y.ravel().tolist())
0
0985b0dd6f1a "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
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318 y = None
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319 # end y
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320
2
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diff changeset
321 return estimator, X, y
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322
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323
6
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diff changeset
324 def _do_outer_cv(searcher, X, y, outer_cv, scoring, error_score="raise", outfile=None):
2
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325 """Do outer cross-validation for nested CV
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326
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
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327 Parameters
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diff changeset
328 ----------
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329 searcher : object
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bgruening
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diff changeset
330 SearchCV object
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parents: 0
diff changeset
331 X : numpy array
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diff changeset
332 Containing features
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333 y : numpy array
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334 Target values or labels
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diff changeset
335 outer_cv : int or CV splitter
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336 Control the cv splitting
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337 scoring : object
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diff changeset
338 Scorer
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diff changeset
339 error_score: str, float or numpy float
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340 Whether to raise fit error or return an value
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341 outfile : str
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bgruening
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342 File path to store the restuls
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diff changeset
343 """
6
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diff changeset
344 if error_score == "raise":
2
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diff changeset
345 rval = cross_validate(
6
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bgruening
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diff changeset
346 searcher,
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
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diff changeset
347 X,
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
348 y,
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
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diff changeset
349 scoring=scoring,
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
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diff changeset
350 cv=outer_cv,
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
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diff changeset
351 n_jobs=N_JOBS,
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
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diff changeset
352 verbose=0,
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
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353 error_score=error_score,
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
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354 )
2
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parents: 0
diff changeset
355 else:
6
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
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diff changeset
356 warnings.simplefilter("always", FitFailedWarning)
2
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357 with warnings.catch_warnings(record=True) as w:
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bgruening
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diff changeset
358 try:
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
359 rval = cross_validate(
6
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
360 searcher,
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
361 X,
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
362 y,
2
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
363 scoring=scoring,
6
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
364 cv=outer_cv,
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
365 n_jobs=N_JOBS,
2
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
366 verbose=0,
6
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
367 error_score=error_score,
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
368 )
2
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
369 except ValueError:
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
370 pass
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
371 for warning in w:
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
372 print(repr(warning.message))
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
373
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
374 keys = list(rval.keys())
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
375 for k in keys:
6
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
376 if k.startswith("test"):
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
377 rval["mean_" + k] = np.mean(rval[k])
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
378 rval["std_" + k] = np.std(rval[k])
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
379 if k.endswith("time"):
2
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
380 rval.pop(k)
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
381 rval = pd.DataFrame(rval)
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
382 rval = rval[sorted(rval.columns)]
6
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
383 rval.to_csv(path_or_buf=outfile, sep="\t", header=True, index=False)
2
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
384
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
385
6
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
386 def _do_train_test_split_val(
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
387 searcher,
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
388 X,
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
389 y,
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
390 params,
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
391 error_score="raise",
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
392 primary_scoring=None,
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
393 groups=None,
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
394 outfile=None,
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
395 ):
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
396 """do train test split, searchCV validates on the train and then use
2
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
397 the best_estimator_ to evaluate on the test
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
398
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
399 Returns
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
400 --------
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
401 Fitted SearchCV object
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
402 """
6
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
403 train_test_split = try_get_attr("galaxy_ml.model_validations", "train_test_split")
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
404 split_options = params["outer_split"]
2
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
405
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
406 # splits
6
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
407 if split_options["shuffle"] == "stratified":
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
408 split_options["labels"] = y
2
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
409 X, X_test, y, y_test = train_test_split(X, y, **split_options)
6
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
410 elif split_options["shuffle"] == "group":
2
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
411 if groups is None:
7
3312fb686ffb "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ea12f973df4b97a2691d9e4ce6bf6fae59d57717"
bgruening
parents: 6
diff changeset
412 raise ValueError(
3312fb686ffb "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ea12f973df4b97a2691d9e4ce6bf6fae59d57717"
bgruening
parents: 6
diff changeset
413 "No group based CV option was choosen for " "group shuffle!"
3312fb686ffb "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ea12f973df4b97a2691d9e4ce6bf6fae59d57717"
bgruening
parents: 6
diff changeset
414 )
6
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
415 split_options["labels"] = groups
2
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
416 if y is None:
6
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
417 X, X_test, groups, _ = train_test_split(X, groups, **split_options)
2
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
418 else:
7
3312fb686ffb "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ea12f973df4b97a2691d9e4ce6bf6fae59d57717"
bgruening
parents: 6
diff changeset
419 X, X_test, y, y_test, groups, _ = train_test_split(
3312fb686ffb "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ea12f973df4b97a2691d9e4ce6bf6fae59d57717"
bgruening
parents: 6
diff changeset
420 X, y, groups, **split_options
3312fb686ffb "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ea12f973df4b97a2691d9e4ce6bf6fae59d57717"
bgruening
parents: 6
diff changeset
421 )
2
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
422 else:
6
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
423 if split_options["shuffle"] == "None":
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
424 split_options["shuffle"] = None
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
425 X, X_test, y, y_test = train_test_split(X, y, **split_options)
2
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
426
6
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
427 if error_score == "raise":
2
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
428 searcher.fit(X, y, groups=groups)
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
429 else:
6
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
430 warnings.simplefilter("always", FitFailedWarning)
2
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
431 with warnings.catch_warnings(record=True) as w:
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
432 try:
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
433 searcher.fit(X, y, groups=groups)
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
434 except ValueError:
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
435 pass
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
436 for warning in w:
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
437 print(repr(warning.message))
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
438
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
439 scorer_ = searcher.scorer_
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
440
6
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
441 best_estimator_ = getattr(searcher, "best_estimator_")
2
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
442
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
443 # TODO Solve deep learning models in pipeline
6
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
444 if best_estimator_.__class__.__name__ == "KerasGBatchClassifier":
7
3312fb686ffb "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ea12f973df4b97a2691d9e4ce6bf6fae59d57717"
bgruening
parents: 6
diff changeset
445 test_score = best_estimator_.evaluate(
11
5da2217cd788 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents: 7
diff changeset
446 X_test,
5da2217cd788 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents: 7
diff changeset
447 scorer=scorer_,
7
3312fb686ffb "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ea12f973df4b97a2691d9e4ce6bf6fae59d57717"
bgruening
parents: 6
diff changeset
448 )
2
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
449 else:
11
5da2217cd788 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents: 7
diff changeset
450 test_score = _score(best_estimator_, X_test, y_test, scorer_)
2
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
451
11
5da2217cd788 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents: 7
diff changeset
452 if not isinstance(scorer_, dict):
2
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
453 test_score = {primary_scoring: test_score}
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
454 for key, value in test_score.items():
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
455 test_score[key] = [value]
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
456 result_df = pd.DataFrame(test_score)
6
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
457 result_df.to_csv(path_or_buf=outfile, sep="\t", header=True, index=False)
2
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
458
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
459 return searcher
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
460
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
461
11
5da2217cd788 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents: 7
diff changeset
462 def _set_memory(estimator, memory):
5da2217cd788 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents: 7
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463 """set memeory cache
5da2217cd788 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents: 7
diff changeset
464
5da2217cd788 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents: 7
diff changeset
465 Parameters
5da2217cd788 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents: 7
diff changeset
466 ----------
5da2217cd788 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents: 7
diff changeset
467 estimator : python object
5da2217cd788 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents: 7
diff changeset
468 memory : joblib.Memory object
5da2217cd788 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents: 7
diff changeset
469
5da2217cd788 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents: 7
diff changeset
470 Returns
5da2217cd788 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents: 7
diff changeset
471 -------
5da2217cd788 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
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diff changeset
472 estimator : estimator object after setting new attributes
5da2217cd788 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents: 7
diff changeset
473 """
5da2217cd788 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents: 7
diff changeset
474 if isinstance(estimator, IRAPSClassifier):
5da2217cd788 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents: 7
diff changeset
475 estimator.set_params(memory=memory)
5da2217cd788 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents: 7
diff changeset
476 return estimator
5da2217cd788 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents: 7
diff changeset
477
5da2217cd788 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents: 7
diff changeset
478 estimator_params = estimator.get_params()
5da2217cd788 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents: 7
diff changeset
479
5da2217cd788 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents: 7
diff changeset
480 new_params = {}
5da2217cd788 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents: 7
diff changeset
481 for k in estimator_params.keys():
5da2217cd788 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents: 7
diff changeset
482 if k.endswith("irapsclassifier__memory"):
5da2217cd788 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents: 7
diff changeset
483 new_params[k] = memory
5da2217cd788 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents: 7
diff changeset
484
5da2217cd788 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents: 7
diff changeset
485 estimator.set_params(**new_params)
5da2217cd788 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents: 7
diff changeset
486
5da2217cd788 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents: 7
diff changeset
487 return estimator
5da2217cd788 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents: 7
diff changeset
488
5da2217cd788 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents: 7
diff changeset
489
6
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
490 def main(
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
491 inputs,
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
492 infile_estimator,
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
493 infile1,
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
494 infile2,
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
495 outfile_result,
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
496 outfile_object=None,
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
497 groups=None,
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
498 ref_seq=None,
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
499 intervals=None,
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
500 targets=None,
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
501 fasta_path=None,
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
502 ):
2
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
503 """
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
504 Parameter
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
505 ---------
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
506 inputs : str
11
5da2217cd788 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents: 7
diff changeset
507 File path to galaxy tool parameter.
2
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
508
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
509 infile_estimator : str
11
5da2217cd788 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents: 7
diff changeset
510 File path to estimator.
2
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
511
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
512 infile1 : str
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
513 File path to dataset containing features
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
514
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
515 infile2 : str
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
516 File path to dataset containing target values
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
517
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
518 outfile_result : str
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
519 File path to save the results, either cv_results or test result
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
520
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
521 outfile_object : str, optional
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
522 File path to save searchCV object
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
523
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
524 groups : str
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
525 File path to dataset containing groups labels
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
526
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
527 ref_seq : str
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
528 File path to dataset containing genome sequence file
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
529
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
530 intervals : str
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
531 File path to dataset containing interval file
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
532
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
533 targets : str
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
534 File path to dataset compressed target bed file
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
535
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
536 fasta_path : str
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
537 File path to dataset containing fasta file
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
538 """
6
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
539 warnings.simplefilter("ignore")
2
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
540
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
541 # store read dataframe object
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
542 loaded_df = {}
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
543
6
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
544 with open(inputs, "r") as param_handler:
2
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
545 params = json.load(param_handler)
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
546
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
547 # Override the refit parameter
11
5da2217cd788 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents: 7
diff changeset
548 params["options"]["refit"] = (
5da2217cd788 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents: 7
diff changeset
549 True
5da2217cd788 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents: 7
diff changeset
550 if (
5da2217cd788 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents: 7
diff changeset
551 params["save"] != "nope"
5da2217cd788 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents: 7
diff changeset
552 or params["outer_split"]["split_mode"] == "nested_cv"
5da2217cd788 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents: 7
diff changeset
553 )
5da2217cd788 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents: 7
diff changeset
554 else False
7
3312fb686ffb "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ea12f973df4b97a2691d9e4ce6bf6fae59d57717"
bgruening
parents: 6
diff changeset
555 )
2
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
556
11
5da2217cd788 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents: 7
diff changeset
557 estimator = load_model_from_h5(infile_estimator)
5da2217cd788 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents: 7
diff changeset
558
5da2217cd788 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents: 7
diff changeset
559 estimator = clean_params(estimator)
5da2217cd788 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents: 7
diff changeset
560
5da2217cd788 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents: 7
diff changeset
561 if estimator.__class__.__name__ == "KerasGBatchClassifier":
5da2217cd788 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents: 7
diff changeset
562 _fit_and_score = try_get_attr(
5da2217cd788 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents: 7
diff changeset
563 "galaxy_ml.model_validations",
5da2217cd788 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents: 7
diff changeset
564 "_fit_and_score",
5da2217cd788 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents: 7
diff changeset
565 )
2
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
566
11
5da2217cd788 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents: 7
diff changeset
567 setattr(_search, "_fit_and_score", _fit_and_score)
5da2217cd788 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents: 7
diff changeset
568 setattr(_validation, "_fit_and_score", _fit_and_score)
5da2217cd788 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents: 7
diff changeset
569
5da2217cd788 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents: 7
diff changeset
570 search_algos_and_options = params["search_algos"]
5da2217cd788 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents: 7
diff changeset
571 optimizer = search_algos_and_options.pop("selected_search_algo")
5da2217cd788 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents: 7
diff changeset
572 if optimizer == "skopt.BayesSearchCV":
5da2217cd788 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents: 7
diff changeset
573 optimizer = BayesSearchCV
5da2217cd788 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents: 7
diff changeset
574 else:
5da2217cd788 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents: 7
diff changeset
575 optimizer = getattr(model_selection, optimizer)
0
0985b0dd6f1a "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
bgruening
parents:
diff changeset
576
0985b0dd6f1a "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
bgruening
parents:
diff changeset
577 # handle gridsearchcv options
11
5da2217cd788 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents: 7
diff changeset
578 options = params["options"]
5da2217cd788 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents: 7
diff changeset
579 options.update(search_algos_and_options)
0
0985b0dd6f1a "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
bgruening
parents:
diff changeset
580
0985b0dd6f1a "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
bgruening
parents:
diff changeset
581 if groups:
7
3312fb686ffb "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ea12f973df4b97a2691d9e4ce6bf6fae59d57717"
bgruening
parents: 6
diff changeset
582 header = (
3312fb686ffb "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ea12f973df4b97a2691d9e4ce6bf6fae59d57717"
bgruening
parents: 6
diff changeset
583 "infer" if (options["cv_selector"]["groups_selector"]["header_g"]) else None
3312fb686ffb "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ea12f973df4b97a2691d9e4ce6bf6fae59d57717"
bgruening
parents: 6
diff changeset
584 )
3312fb686ffb "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ea12f973df4b97a2691d9e4ce6bf6fae59d57717"
bgruening
parents: 6
diff changeset
585 column_option = options["cv_selector"]["groups_selector"][
3312fb686ffb "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ea12f973df4b97a2691d9e4ce6bf6fae59d57717"
bgruening
parents: 6
diff changeset
586 "column_selector_options_g"
3312fb686ffb "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ea12f973df4b97a2691d9e4ce6bf6fae59d57717"
bgruening
parents: 6
diff changeset
587 ]["selected_column_selector_option_g"]
6
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
588 if column_option in [
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
589 "by_index_number",
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
590 "all_but_by_index_number",
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
591 "by_header_name",
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
592 "all_but_by_header_name",
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
593 ]:
7
3312fb686ffb "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ea12f973df4b97a2691d9e4ce6bf6fae59d57717"
bgruening
parents: 6
diff changeset
594 c = options["cv_selector"]["groups_selector"]["column_selector_options_g"][
3312fb686ffb "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ea12f973df4b97a2691d9e4ce6bf6fae59d57717"
bgruening
parents: 6
diff changeset
595 "col_g"
3312fb686ffb "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ea12f973df4b97a2691d9e4ce6bf6fae59d57717"
bgruening
parents: 6
diff changeset
596 ]
0
0985b0dd6f1a "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
bgruening
parents:
diff changeset
597 else:
0985b0dd6f1a "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
bgruening
parents:
diff changeset
598 c = None
0985b0dd6f1a "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
bgruening
parents:
diff changeset
599
0985b0dd6f1a "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
bgruening
parents:
diff changeset
600 df_key = groups + repr(header)
2
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
601
6
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
602 groups = pd.read_csv(groups, sep="\t", header=header, parse_dates=True)
2
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
603 loaded_df[df_key] = groups
0
0985b0dd6f1a "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
bgruening
parents:
diff changeset
604
0985b0dd6f1a "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
bgruening
parents:
diff changeset
605 groups = read_columns(
6
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
606 groups,
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
607 c=c,
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
608 c_option=column_option,
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
609 sep="\t",
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
610 header=header,
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
611 parse_dates=True,
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
612 )
0
0985b0dd6f1a "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
bgruening
parents:
diff changeset
613 groups = groups.ravel()
6
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
614 options["cv_selector"]["groups_selector"] = groups
0
0985b0dd6f1a "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
bgruening
parents:
diff changeset
615
11
5da2217cd788 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents: 7
diff changeset
616 cv_selector = options.pop("cv_selector")
5da2217cd788 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents: 7
diff changeset
617 if Version(galaxy_ml_version) < Version("0.8.3"):
5da2217cd788 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents: 7
diff changeset
618 cv_selector.pop("n_stratification_bins", None)
5da2217cd788 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents: 7
diff changeset
619 splitter, groups = get_cv(cv_selector)
6
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
620 options["cv"] = splitter
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
621 primary_scoring = options["scoring"]["primary_scoring"]
11
5da2217cd788 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents: 7
diff changeset
622 options["scoring"] = get_scoring(options["scoring"])
5da2217cd788 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents: 7
diff changeset
623 # TODO make BayesSearchCV support multiple scoring
5da2217cd788 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents: 7
diff changeset
624 if optimizer == "skopt.BayesSearchCV" and isinstance(options["scoring"], dict):
5da2217cd788 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents: 7
diff changeset
625 options["scoring"] = options["scoring"][primary_scoring]
5da2217cd788 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents: 7
diff changeset
626 warnings.warn(
5da2217cd788 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents: 7
diff changeset
627 "BayesSearchCV doesn't support multiple "
5da2217cd788 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents: 7
diff changeset
628 "scorings! Primary scoring is used."
7
3312fb686ffb "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ea12f973df4b97a2691d9e4ce6bf6fae59d57717"
bgruening
parents: 6
diff changeset
629 )
6
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
630 if options["error_score"]:
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
631 options["error_score"] = "raise"
0
0985b0dd6f1a "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
bgruening
parents:
diff changeset
632 else:
11
5da2217cd788 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents: 7
diff changeset
633 options["error_score"] = np.NaN
6
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
634 if options["refit"] and isinstance(options["scoring"], dict):
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
635 options["refit"] = primary_scoring
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
636 if "pre_dispatch" in options and options["pre_dispatch"] == "":
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
637 options["pre_dispatch"] = None
0
0985b0dd6f1a "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
bgruening
parents:
diff changeset
638
11
5da2217cd788 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents: 7
diff changeset
639 params_builder = params["search_params_builder"]
2
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
640 param_grid = _eval_search_params(params_builder)
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
641
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
642 # save the SearchCV object without fit
6
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
643 if params["save"] == "save_no_fit":
2
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
644 searcher = optimizer(estimator, param_grid, **options)
11
5da2217cd788 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents: 7
diff changeset
645 dump_model_to_h5(searcher, outfile_object)
2
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
646 return 0
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
647
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
648 # read inputs and loads new attributes, like paths
6
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
649 estimator, X, y = _handle_X_y(
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
650 estimator,
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
651 params,
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
652 infile1,
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
653 infile2,
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
654 loaded_df=loaded_df,
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
655 ref_seq=ref_seq,
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
656 intervals=intervals,
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
657 targets=targets,
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
658 fasta_path=fasta_path,
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
659 )
2
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
660
11
5da2217cd788 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents: 7
diff changeset
661 label_encoder = LabelEncoder()
5da2217cd788 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents: 7
diff changeset
662 if get_main_estimator(estimator).__class__.__name__ == "XGBClassifier":
5da2217cd788 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents: 7
diff changeset
663 y = label_encoder.fit_transform(y)
5da2217cd788 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents: 7
diff changeset
664
0
0985b0dd6f1a "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
bgruening
parents:
diff changeset
665 # cache iraps_core fits could increase search speed significantly
2
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
666 memory = joblib.Memory(location=CACHE_DIR, verbose=0)
11
5da2217cd788 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents: 7
diff changeset
667 estimator = _set_memory(estimator, memory)
0
0985b0dd6f1a "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
bgruening
parents:
diff changeset
668
0985b0dd6f1a "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
bgruening
parents:
diff changeset
669 searcher = optimizer(estimator, param_grid, **options)
0985b0dd6f1a "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
bgruening
parents:
diff changeset
670
6
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
671 split_mode = params["outer_split"].pop("split_mode")
2
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
672
11
5da2217cd788 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents: 7
diff changeset
673 # Nested CV
6
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
674 if split_mode == "nested_cv":
11
5da2217cd788 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents: 7
diff changeset
675 cv_selector = params["outer_split"]["cv_selector"]
5da2217cd788 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents: 7
diff changeset
676 if Version(galaxy_ml_version) < Version("0.8.3"):
5da2217cd788 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents: 7
diff changeset
677 cv_selector.pop("n_stratification_bins", None)
5da2217cd788 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents: 7
diff changeset
678 outer_cv, _ = get_cv(cv_selector)
2
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
679 # nested CV, outer cv using cross_validate
6
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
680 if options["error_score"] == "raise":
0
0985b0dd6f1a "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
bgruening
parents:
diff changeset
681 rval = cross_validate(
6
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
682 searcher,
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
683 X,
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
684 y,
11
5da2217cd788 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents: 7
diff changeset
685 groups=groups,
6
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
686 scoring=options["scoring"],
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
687 cv=outer_cv,
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
688 n_jobs=N_JOBS,
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
689 verbose=options["verbose"],
11
5da2217cd788 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents: 7
diff changeset
690 fit_params={"groups": groups},
6
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
691 return_estimator=(params["save"] == "save_estimator"),
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
692 error_score=options["error_score"],
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
693 return_train_score=True,
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
694 )
0
0985b0dd6f1a "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
bgruening
parents:
diff changeset
695 else:
6
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
696 warnings.simplefilter("always", FitFailedWarning)
0
0985b0dd6f1a "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
bgruening
parents:
diff changeset
697 with warnings.catch_warnings(record=True) as w:
0985b0dd6f1a "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
bgruening
parents:
diff changeset
698 try:
0985b0dd6f1a "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
bgruening
parents:
diff changeset
699 rval = cross_validate(
6
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
700 searcher,
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
701 X,
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
702 y,
11
5da2217cd788 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents: 7
diff changeset
703 groups=groups,
6
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
704 scoring=options["scoring"],
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
705 cv=outer_cv,
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
706 n_jobs=N_JOBS,
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
707 verbose=options["verbose"],
11
5da2217cd788 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents: 7
diff changeset
708 fit_params={"groups": groups},
6
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
709 return_estimator=(params["save"] == "save_estimator"),
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
710 error_score=options["error_score"],
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
711 return_train_score=True,
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
712 )
0
0985b0dd6f1a "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
bgruening
parents:
diff changeset
713 except ValueError:
0985b0dd6f1a "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
bgruening
parents:
diff changeset
714 pass
0985b0dd6f1a "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
bgruening
parents:
diff changeset
715 for warning in w:
0985b0dd6f1a "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
bgruening
parents:
diff changeset
716 print(repr(warning.message))
0985b0dd6f1a "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
bgruening
parents:
diff changeset
717
6
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
718 fitted_searchers = rval.pop("estimator", [])
2
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
719 if fitted_searchers:
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
720 import os
6
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
721
2
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
722 pwd = os.getcwd()
6
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
723 save_dir = os.path.join(pwd, "cv_results_in_folds")
2
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
724 try:
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
725 os.mkdir(save_dir)
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
726 for idx, obj in enumerate(fitted_searchers):
6
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
727 target_name = "cv_results_" + "_" + "split%d" % idx
2
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
728 target_path = os.path.join(pwd, save_dir, target_name)
6
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
729 cv_results_ = getattr(obj, "cv_results_", None)
2
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
730 if not cv_results_:
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
731 print("%s is not available" % target_name)
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
732 continue
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
733 cv_results_ = pd.DataFrame(cv_results_)
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
734 cv_results_ = cv_results_[sorted(cv_results_.columns)]
6
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
735 cv_results_.to_csv(target_path, sep="\t", header=True, index=False)
2
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
736 except Exception as e:
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
737 print(e)
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
738
0
0985b0dd6f1a "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
bgruening
parents:
diff changeset
739 keys = list(rval.keys())
0985b0dd6f1a "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
bgruening
parents:
diff changeset
740 for k in keys:
6
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
741 if k.startswith("test"):
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
742 rval["mean_" + k] = np.mean(rval[k])
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
743 rval["std_" + k] = np.std(rval[k])
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
744 if k.endswith("time"):
0
0985b0dd6f1a "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
bgruening
parents:
diff changeset
745 rval.pop(k)
0985b0dd6f1a "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
bgruening
parents:
diff changeset
746 rval = pd.DataFrame(rval)
0985b0dd6f1a "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
bgruening
parents:
diff changeset
747 rval = rval[sorted(rval.columns)]
6
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
748 rval.to_csv(path_or_buf=outfile_result, sep="\t", header=True, index=False)
11
5da2217cd788 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents: 7
diff changeset
749
5da2217cd788 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents: 7
diff changeset
750 return 0
5da2217cd788 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents: 7
diff changeset
751
2
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
752 # deprecate train test split mode
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
753 """searcher = _do_train_test_split_val(
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
754 searcher, X, y, params,
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
755 primary_scoring=primary_scoring,
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
756 error_score=options['error_score'],
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
757 groups=groups,
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
758 outfile=outfile_result)"""
0
0985b0dd6f1a "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
bgruening
parents:
diff changeset
759
2
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
760 # no outer split
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
761 else:
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
762 searcher.set_params(n_jobs=N_JOBS)
6
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
763 if options["error_score"] == "raise":
0
0985b0dd6f1a "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
bgruening
parents:
diff changeset
764 searcher.fit(X, y, groups=groups)
0985b0dd6f1a "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
bgruening
parents:
diff changeset
765 else:
6
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
766 warnings.simplefilter("always", FitFailedWarning)
0
0985b0dd6f1a "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
bgruening
parents:
diff changeset
767 with warnings.catch_warnings(record=True) as w:
0985b0dd6f1a "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
bgruening
parents:
diff changeset
768 try:
0985b0dd6f1a "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
bgruening
parents:
diff changeset
769 searcher.fit(X, y, groups=groups)
0985b0dd6f1a "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
bgruening
parents:
diff changeset
770 except ValueError:
0985b0dd6f1a "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
bgruening
parents:
diff changeset
771 pass
0985b0dd6f1a "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
bgruening
parents:
diff changeset
772 for warning in w:
0985b0dd6f1a "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
bgruening
parents:
diff changeset
773 print(repr(warning.message))
0985b0dd6f1a "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
bgruening
parents:
diff changeset
774
2
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
775 cv_results = pd.DataFrame(searcher.cv_results_)
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
776 cv_results = cv_results[sorted(cv_results.columns)]
7
3312fb686ffb "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ea12f973df4b97a2691d9e4ce6bf6fae59d57717"
bgruening
parents: 6
diff changeset
777 cv_results.to_csv(
3312fb686ffb "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ea12f973df4b97a2691d9e4ce6bf6fae59d57717"
bgruening
parents: 6
diff changeset
778 path_or_buf=outfile_result, sep="\t", header=True, index=False
3312fb686ffb "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ea12f973df4b97a2691d9e4ce6bf6fae59d57717"
bgruening
parents: 6
diff changeset
779 )
0
0985b0dd6f1a "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
bgruening
parents:
diff changeset
780
0985b0dd6f1a "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
bgruening
parents:
diff changeset
781 memory.clear(warn=False)
0985b0dd6f1a "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
bgruening
parents:
diff changeset
782
2
5a092779412e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents: 0
diff changeset
783 # output best estimator, and weights if applicable
0
0985b0dd6f1a "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
bgruening
parents:
diff changeset
784 if outfile_object:
6
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
785 best_estimator_ = getattr(searcher, "best_estimator_", None)
0
0985b0dd6f1a "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
bgruening
parents:
diff changeset
786 if not best_estimator_:
6
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
787 warnings.warn(
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
788 "GridSearchCV object has no attribute "
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
789 "'best_estimator_', because either it's "
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
790 "nested gridsearch or `refit` is False!"
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
791 )
0
0985b0dd6f1a "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
bgruening
parents:
diff changeset
792 return
0985b0dd6f1a "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
bgruening
parents:
diff changeset
793
11
5da2217cd788 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents: 7
diff changeset
794 dump_model_to_h5(best_estimator_, outfile_object)
0
0985b0dd6f1a "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
bgruening
parents:
diff changeset
795
0985b0dd6f1a "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
bgruening
parents:
diff changeset
796
6
13b9ac5d277c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
bgruening
parents: 2
diff changeset
797 if __name__ == "__main__":
0
0985b0dd6f1a "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
bgruening
parents:
diff changeset
798 aparser = argparse.ArgumentParser()
0985b0dd6f1a "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
bgruening
parents:
diff changeset
799 aparser.add_argument("-i", "--inputs", dest="inputs", required=True)
0985b0dd6f1a "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
bgruening
parents:
diff changeset
800 aparser.add_argument("-e", "--estimator", dest="infile_estimator")
0985b0dd6f1a "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
bgruening
parents:
diff changeset
801 aparser.add_argument("-X", "--infile1", dest="infile1")
0985b0dd6f1a "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
bgruening
parents:
diff changeset
802 aparser.add_argument("-y", "--infile2", dest="infile2")
0985b0dd6f1a "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
bgruening
parents:
diff changeset
803 aparser.add_argument("-O", "--outfile_result", dest="outfile_result")
0985b0dd6f1a "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
bgruening
parents:
diff changeset
804 aparser.add_argument("-o", "--outfile_object", dest="outfile_object")
0985b0dd6f1a "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
bgruening
parents:
diff changeset
805 aparser.add_argument("-g", "--groups", dest="groups")
0985b0dd6f1a "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
bgruening
parents:
diff changeset
806 aparser.add_argument("-r", "--ref_seq", dest="ref_seq")
0985b0dd6f1a "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
bgruening
parents:
diff changeset
807 aparser.add_argument("-b", "--intervals", dest="intervals")
0985b0dd6f1a "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
bgruening
parents:
diff changeset
808 aparser.add_argument("-t", "--targets", dest="targets")
0985b0dd6f1a "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
bgruening
parents:
diff changeset
809 aparser.add_argument("-f", "--fasta_path", dest="fasta_path")
0985b0dd6f1a "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
bgruening
parents:
diff changeset
810 args = aparser.parse_args()
0985b0dd6f1a "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit eb703290e2589561ea215c84aa9f71bcfe1712c6"
bgruening
parents:
diff changeset
811
11
5da2217cd788 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents: 7
diff changeset
812 main(**vars(args))