xgboost/tests/python/test_with_sklearn.py

import collections
import importlib.util
import numpy as np
import xgboost as xgb
import testing as tm
import tempfile
import os
import shutil
import pytest
import json

rng = np.random.RandomState(1994)

pytestmark = pytest.mark.skipif(**tm.no_sklearn())


class TemporaryDirectory(object):
    """Context manager for tempfile.mkdtemp()"""
    def __enter__(self):
        self.name = tempfile.mkdtemp()
        return self.name

    def __exit__(self, exc_type, exc_value, traceback):
        shutil.rmtree(self.name)


def test_binary_classification():
    from sklearn.datasets import load_digits
    from sklearn.model_selection import KFold

    digits = load_digits(n_class=2)
    y = digits['target']
    X = digits['data']
    kf = KFold(n_splits=2, shuffle=True, random_state=rng)
    for cls in (xgb.XGBClassifier, xgb.XGBRFClassifier):
        for train_index, test_index in kf.split(X, y):
            clf = cls(random_state=42)
            xgb_model = clf.fit(X[train_index], y[train_index], eval_metric=['auc', 'logloss'])
            preds = xgb_model.predict(X[test_index])
            labels = y[test_index]
            err = sum(1 for i in range(len(preds))
                      if int(preds[i] > 0.5) != labels[i]) / float(len(preds))
            assert err < 0.1


def test_multiclass_classification():
    from sklearn.datasets import load_iris
    from sklearn.model_selection import KFold

    def check_pred(preds, labels, output_margin):
        if output_margin:
            err = sum(1 for i in range(len(preds))
                      if preds[i].argmax() != labels[i]) / float(len(preds))
        else:
            err = sum(1 for i in range(len(preds))
                      if preds[i] != labels[i]) / float(len(preds))
        assert err < 0.4

    iris = load_iris()
    y = iris['target']
    X = iris['data']
    kf = KFold(n_splits=2, shuffle=True, random_state=rng)
    for train_index, test_index in kf.split(X, y):
        xgb_model = xgb.XGBClassifier().fit(X[train_index], y[train_index])
        assert (xgb_model.get_booster().num_boosted_rounds() ==
                xgb_model.n_estimators)
        preds = xgb_model.predict(X[test_index])
        # test other params in XGBClassifier().fit
        preds2 = xgb_model.predict(X[test_index], output_margin=True,
                                   ntree_limit=3)
        preds3 = xgb_model.predict(X[test_index], output_margin=True,
                                   ntree_limit=0)
        preds4 = xgb_model.predict(X[test_index], output_margin=False,
                                   ntree_limit=3)
        labels = y[test_index]

        check_pred(preds, labels, output_margin=False)
        check_pred(preds2, labels, output_margin=True)
        check_pred(preds3, labels, output_margin=True)
        check_pred(preds4, labels, output_margin=False)


def test_ranking():
    # generate random data
    x_train = np.random.rand(1000, 10)
    y_train = np.random.randint(5, size=1000)
    train_group = np.repeat(50, 20)
    x_valid = np.random.rand(200, 10)
    y_valid = np.random.randint(5, size=200)
    valid_group = np.repeat(50, 4)
    x_test = np.random.rand(100, 10)

    params = {'tree_method': 'exact', 'objective': 'rank:pairwise',
              'learning_rate': 0.1, 'gamma': 1.0, 'min_child_weight': 0.1,
              'max_depth': 6, 'n_estimators': 4}
    model = xgb.sklearn.XGBRanker(**params)
    model.fit(x_train, y_train, group=train_group,
              eval_set=[(x_valid, y_valid)], eval_group=[valid_group])
    pred = model.predict(x_test)

    train_data = xgb.DMatrix(x_train, y_train)
    valid_data = xgb.DMatrix(x_valid, y_valid)
    test_data = xgb.DMatrix(x_test)
    train_data.set_group(train_group)
    assert train_data.get_label().shape[0] == x_train.shape[0]
    valid_data.set_group(valid_group)

    params_orig = {'tree_method': 'exact', 'objective': 'rank:pairwise',
                   'eta': 0.1, 'gamma': 1.0,
                   'min_child_weight': 0.1, 'max_depth': 6}
    xgb_model_orig = xgb.train(params_orig, train_data, num_boost_round=4,
                               evals=[(valid_data, 'validation')])
    pred_orig = xgb_model_orig.predict(test_data)

    np.testing.assert_almost_equal(pred, pred_orig)


def test_stacking_regression():
    from sklearn.model_selection import train_test_split
    from sklearn.datasets import load_diabetes
    from sklearn.linear_model import RidgeCV
    from sklearn.ensemble import RandomForestRegressor
    from sklearn.ensemble import StackingRegressor

    X, y = load_diabetes(return_X_y=True)
    estimators = [
        ('gbm', xgb.sklearn.XGBRegressor(objective='reg:squarederror')),
        ('lr', RidgeCV())
    ]
    reg = StackingRegressor(
        estimators=estimators,
        final_estimator=RandomForestRegressor(n_estimators=10,
                                              random_state=42)
    )

    X_train, X_test, y_train, y_test = train_test_split(X, y, random_state=42)
    reg.fit(X_train, y_train).score(X_test, y_test)


def test_stacking_classification():
    from sklearn.model_selection import train_test_split
    from sklearn.datasets import load_iris
    from sklearn.svm import LinearSVC
    from sklearn.linear_model import LogisticRegression
    from sklearn.preprocessing import StandardScaler
    from sklearn.pipeline import make_pipeline
    from sklearn.ensemble import StackingClassifier

    X, y = load_iris(return_X_y=True)
    estimators = [
        ('gbm', xgb.sklearn.XGBClassifier()),
        ('svr', make_pipeline(StandardScaler(),
                              LinearSVC(random_state=42)))
    ]
    clf = StackingClassifier(
        estimators=estimators, final_estimator=LogisticRegression()
    )

    X_train, X_test, y_train, y_test = train_test_split(X, y, random_state=42)
    clf.fit(X_train, y_train).score(X_test, y_test)


@pytest.mark.skipif(**tm.no_pandas())
def test_feature_importances_weight():
    from sklearn.datasets import load_digits

    digits = load_digits(n_class=2)
    y = digits['target']
    X = digits['data']
    xgb_model = xgb.XGBClassifier(random_state=0,
                                  tree_method="exact",
                                  learning_rate=0.1,
                                  importance_type="weight").fit(X, y)
    exp = np.array([0., 0., 0., 0., 0., 0., 0., 0., 0., 0., 0.00833333, 0.,
                    0., 0., 0., 0., 0., 0., 0., 0.025, 0.14166667, 0., 0., 0.,
                    0., 0., 0., 0.00833333, 0.25833333, 0., 0., 0., 0.,
                    0.03333334, 0.03333334, 0., 0.32499999, 0., 0., 0., 0.,
                    0.05, 0.06666667, 0., 0., 0., 0., 0., 0., 0., 0.04166667,
                    0., 0., 0., 0., 0., 0., 0., 0.00833333, 0., 0., 0., 0.,
                    0.], dtype=np.float32)

    np.testing.assert_almost_equal(xgb_model.feature_importances_, exp)

    # numeric columns
    import pandas as pd
    y = pd.Series(digits['target'])
    X = pd.DataFrame(digits['data'])
    xgb_model = xgb.XGBClassifier(random_state=0,
                                  tree_method="exact",
                                  learning_rate=0.1,
                                  importance_type="weight").fit(X, y)
    np.testing.assert_almost_equal(xgb_model.feature_importances_, exp)

    xgb_model = xgb.XGBClassifier(random_state=0,
                                  tree_method="exact",
                                  learning_rate=0.1,
                                  importance_type="weight").fit(X, y)
    np.testing.assert_almost_equal(xgb_model.feature_importances_, exp)


@pytest.mark.skipif(**tm.no_pandas())
def test_feature_importances_gain():
    from sklearn.datasets import load_digits

    digits = load_digits(n_class=2)
    y = digits['target']
    X = digits['data']
    xgb_model = xgb.XGBClassifier(
        random_state=0, tree_method="exact",
        learning_rate=0.1,
        importance_type="gain").fit(X, y)

    exp = np.array([0., 0., 0., 0., 0., 0., 0., 0., 0., 0.,
                    0.00326159, 0., 0., 0., 0., 0., 0., 0., 0.,
                    0.00297238, 0.00988034, 0., 0., 0., 0., 0., 0.,
                    0.03512521, 0.41123885, 0., 0., 0., 0.,
                    0.01326332, 0.00160674, 0., 0.4206952, 0., 0., 0.,
                    0., 0.00616747, 0.01237546, 0., 0., 0., 0., 0.,
                    0., 0., 0.08240705, 0., 0., 0., 0., 0., 0., 0.,
                    0.00100649, 0., 0., 0., 0., 0.], dtype=np.float32)

    np.testing.assert_almost_equal(xgb_model.feature_importances_, exp)

    # numeric columns
    import pandas as pd
    y = pd.Series(digits['target'])
    X = pd.DataFrame(digits['data'])
    xgb_model = xgb.XGBClassifier(
        random_state=0, tree_method="exact",
        learning_rate=0.1,
        importance_type="gain").fit(X, y)
    np.testing.assert_almost_equal(xgb_model.feature_importances_, exp)

    xgb_model = xgb.XGBClassifier(
        random_state=0, tree_method="exact",
        learning_rate=0.1,
        importance_type="gain").fit(X, y)
    np.testing.assert_almost_equal(xgb_model.feature_importances_, exp)


def test_select_feature():
    from sklearn.datasets import load_digits
    from sklearn.feature_selection import SelectFromModel
    digits = load_digits(n_class=2)
    y = digits['target']
    X = digits['data']
    cls = xgb.XGBClassifier()
    cls.fit(X, y)
    selector = SelectFromModel(cls, prefit=True, max_features=1)
    X_selected = selector.transform(X)
    assert X_selected.shape[1] == 1


def test_num_parallel_tree():
    from sklearn.datasets import load_boston
    reg = xgb.XGBRegressor(n_estimators=4, num_parallel_tree=4,
                           tree_method='hist')
    boston = load_boston()
    bst = reg.fit(X=boston['data'], y=boston['target'])
    dump = bst.get_booster().get_dump(dump_format='json')
    assert len(dump) == 16

    reg = xgb.XGBRFRegressor(n_estimators=4)
    bst = reg.fit(X=boston['data'], y=boston['target'])
    dump = bst.get_booster().get_dump(dump_format='json')
    assert len(dump) == 4

    config = json.loads(bst.get_booster().save_config())
    assert int(config['learner']['gradient_booster']['gbtree_train_param'][
        'num_parallel_tree']) == 4


def test_boston_housing_regression():
    from sklearn.metrics import mean_squared_error
    from sklearn.datasets import load_boston
    from sklearn.model_selection import KFold

    boston = load_boston()
    y = boston['target']
    X = boston['data']
    kf = KFold(n_splits=2, shuffle=True, random_state=rng)
    for train_index, test_index in kf.split(X, y):
        xgb_model = xgb.XGBRegressor().fit(X[train_index], y[train_index])

        preds = xgb_model.predict(X[test_index])
        # test other params in XGBRegressor().fit
        preds2 = xgb_model.predict(X[test_index], output_margin=True,
                                   ntree_limit=3)
        preds3 = xgb_model.predict(X[test_index], output_margin=True,
                                   ntree_limit=0)
        preds4 = xgb_model.predict(X[test_index], output_margin=False,
                                   ntree_limit=3)
        labels = y[test_index]

        assert mean_squared_error(preds, labels) < 25
        assert mean_squared_error(preds2, labels) < 350
        assert mean_squared_error(preds3, labels) < 25
        assert mean_squared_error(preds4, labels) < 350


def test_boston_housing_rf_regression():
    from sklearn.metrics import mean_squared_error
    from sklearn.datasets import load_boston
    from sklearn.model_selection import KFold

    boston = load_boston()
    y = boston['target']
    X = boston['data']
    kf = KFold(n_splits=2, shuffle=True, random_state=rng)
    for train_index, test_index in kf.split(X, y):
        xgb_model = xgb.XGBRFRegressor(random_state=42).fit(
            X[train_index], y[train_index])
        preds = xgb_model.predict(X[test_index])
        labels = y[test_index]
        assert mean_squared_error(preds, labels) < 35


def test_parameter_tuning():
    from sklearn.model_selection import GridSearchCV
    from sklearn.datasets import load_boston

    boston = load_boston()
    y = boston['target']
    X = boston['data']
    xgb_model = xgb.XGBRegressor(learning_rate=0.1)
    clf = GridSearchCV(xgb_model, {'max_depth': [2, 4, 6],
                                   'n_estimators': [50, 100, 200]},
                       cv=3, verbose=1)
    clf.fit(X, y)
    assert clf.best_score_ < 0.7
    assert clf.best_params_ == {'n_estimators': 100, 'max_depth': 4}


def test_regression_with_custom_objective():
    from sklearn.metrics import mean_squared_error
    from sklearn.datasets import load_boston
    from sklearn.model_selection import KFold

    def objective_ls(y_true, y_pred):
        grad = (y_pred - y_true)
        hess = np.ones(len(y_true))
        return grad, hess

    boston = load_boston()
    y = boston['target']
    X = boston['data']
    kf = KFold(n_splits=2, shuffle=True, random_state=rng)
    for train_index, test_index in kf.split(X, y):
        xgb_model = xgb.XGBRegressor(objective=objective_ls).fit(
            X[train_index], y[train_index]
        )
        preds = xgb_model.predict(X[test_index])
        labels = y[test_index]
    assert mean_squared_error(preds, labels) < 25

    # Test that the custom objective function is actually used
    class XGBCustomObjectiveException(Exception):
        pass

    def dummy_objective(y_true, y_pred):
        raise XGBCustomObjectiveException()

    xgb_model = xgb.XGBRegressor(objective=dummy_objective)
    np.testing.assert_raises(XGBCustomObjectiveException, xgb_model.fit, X, y)


def test_classification_with_custom_objective():
    from sklearn.datasets import load_digits
    from sklearn.model_selection import KFold

    def logregobj(y_true, y_pred):
        y_pred = 1.0 / (1.0 + np.exp(-y_pred))
        grad = y_pred - y_true
        hess = y_pred * (1.0 - y_pred)
        return grad, hess

    digits = load_digits(n_class=2)
    y = digits['target']
    X = digits['data']
    kf = KFold(n_splits=2, shuffle=True, random_state=rng)
    for train_index, test_index in kf.split(X, y):
        xgb_model = xgb.XGBClassifier(objective=logregobj)
        xgb_model.fit(X[train_index], y[train_index])
        preds = xgb_model.predict(X[test_index])
        labels = y[test_index]
        err = sum(1 for i in range(len(preds))
                  if int(preds[i] > 0.5) != labels[i]) / float(len(preds))
        assert err < 0.1

    # Test that the custom objective function is actually used
    class XGBCustomObjectiveException(Exception):
        pass

    def dummy_objective(y_true, y_preds):
        raise XGBCustomObjectiveException()

    xgb_model = xgb.XGBClassifier(objective=dummy_objective)
    np.testing.assert_raises(
        XGBCustomObjectiveException,
        xgb_model.fit,
        X, y
    )

    cls = xgb.XGBClassifier(use_label_encoder=False, n_estimators=1)
    cls.fit(X, y)

    is_called = [False]

    def wrapped(y, p):
        is_called[0] = True
        return logregobj(y, p)

    cls.set_params(objective=wrapped)
    cls.predict(X)              # no throw
    cls.fit(X, y)

    assert is_called[0]


def test_sklearn_api():
    from sklearn.datasets import load_iris
    from sklearn.model_selection import train_test_split

    iris = load_iris()
    tr_d, te_d, tr_l, te_l = train_test_split(iris.data, iris.target,
                                              train_size=120, test_size=0.2)

    classifier = xgb.XGBClassifier(booster='gbtree', n_estimators=10)
    classifier.fit(tr_d, tr_l)

    preds = classifier.predict(te_d)
    labels = te_l
    err = sum([1 for p, l in zip(preds, labels) if p != l]) * 1.0 / len(te_l)
    assert err < 0.2


def test_sklearn_api_gblinear():
    from sklearn.datasets import load_iris
    from sklearn.model_selection import train_test_split

    iris = load_iris()
    tr_d, te_d, tr_l, te_l = train_test_split(iris.data, iris.target,
                                              train_size=120)

    classifier = xgb.XGBClassifier(booster='gblinear', n_estimators=100)
    classifier.fit(tr_d, tr_l)

    preds = classifier.predict(te_d)
    labels = te_l
    err = sum([1 for p, l in zip(preds, labels) if p != l]) * 1.0 / len(te_l)
    assert err < 0.5


@pytest.mark.skipif(**tm.no_matplotlib())
@pytest.mark.skipif(**tm.no_graphviz())
def test_sklearn_plotting():
    from sklearn.datasets import load_iris

    iris = load_iris()

    classifier = xgb.XGBClassifier()
    classifier.fit(iris.data, iris.target)

    import matplotlib
    matplotlib.use('Agg')

    from matplotlib.axes import Axes
    from graphviz import Source

    ax = xgb.plot_importance(classifier)
    assert isinstance(ax, Axes)
    assert ax.get_title() == 'Feature importance'
    assert ax.get_xlabel() == 'F score'
    assert ax.get_ylabel() == 'Features'
    assert len(ax.patches) == 4

    g = xgb.to_graphviz(classifier, num_trees=0)
    assert isinstance(g, Source)

    ax = xgb.plot_tree(classifier, num_trees=0)
    assert isinstance(ax, Axes)


@pytest.mark.skipif(**tm.no_pandas())
def test_sklearn_nfolds_cv():
    from sklearn.datasets import load_digits
    from sklearn.model_selection import StratifiedKFold

    digits = load_digits(n_class=3)
    X = digits['data']
    y = digits['target']
    dm = xgb.DMatrix(X, label=y)

    params = {
        'max_depth': 2,
        'eta': 1,
        'verbosity': 0,
        'objective':
        'multi:softprob',
        'num_class': 3
    }

    seed = 2016
    nfolds = 5
    skf = StratifiedKFold(n_splits=nfolds, shuffle=True, random_state=seed)

    cv1 = xgb.cv(params, dm, num_boost_round=10, nfold=nfolds,
                 seed=seed, as_pandas=True)
    cv2 = xgb.cv(params, dm, num_boost_round=10, nfold=nfolds,
                 folds=skf, seed=seed, as_pandas=True)
    cv3 = xgb.cv(params, dm, num_boost_round=10, nfold=nfolds,
                 stratified=True, seed=seed, as_pandas=True)
    assert cv1.shape[0] == cv2.shape[0] and cv2.shape[0] == cv3.shape[0]
    assert cv2.iloc[-1, 0] == cv3.iloc[-1, 0]


@pytest.mark.skipif(**tm.no_pandas())
def test_split_value_histograms():
    from sklearn.datasets import load_digits

    digits_2class = load_digits(n_class=2)

    X = digits_2class['data']
    y = digits_2class['target']

    dm = xgb.DMatrix(X, label=y)
    params = {'max_depth': 6, 'eta': 0.01, 'verbosity': 0,
              'objective': 'binary:logistic'}

    gbdt = xgb.train(params, dm, num_boost_round=10)
    assert gbdt.get_split_value_histogram("not_there",
                                          as_pandas=True).shape[0] == 0
    assert gbdt.get_split_value_histogram("not_there",
                                          as_pandas=False).shape[0] == 0
    assert gbdt.get_split_value_histogram("f28", bins=0).shape[0] == 1
    assert gbdt.get_split_value_histogram("f28", bins=1).shape[0] == 1
    assert gbdt.get_split_value_histogram("f28", bins=2).shape[0] == 2
    assert gbdt.get_split_value_histogram("f28", bins=5).shape[0] == 2
    assert gbdt.get_split_value_histogram("f28", bins=None).shape[0] == 2


def test_sklearn_random_state():
    clf = xgb.XGBClassifier(random_state=402)
    assert clf.get_xgb_params()['random_state'] == 402

    clf = xgb.XGBClassifier(random_state=401)
    assert clf.get_xgb_params()['random_state'] == 401

    random_state = np.random.RandomState(seed=403)
    clf = xgb.XGBClassifier(random_state=random_state)
    assert isinstance(clf.get_xgb_params()['random_state'], int)


def test_sklearn_n_jobs():
    clf = xgb.XGBClassifier(n_jobs=1)
    assert clf.get_xgb_params()['n_jobs'] == 1

    clf = xgb.XGBClassifier(n_jobs=2)
    assert clf.get_xgb_params()['n_jobs'] == 2


def test_parameters_access():
    from sklearn import datasets
    params = {'updater': 'grow_gpu_hist', 'subsample': .5, 'n_jobs': -1}
    clf = xgb.XGBClassifier(n_estimators=1000, **params)
    assert clf.get_params()['updater'] == 'grow_gpu_hist'
    assert clf.get_params()['subsample'] == .5
    assert clf.get_params()['n_estimators'] == 1000

    clf = xgb.XGBClassifier(n_estimators=1, nthread=4)
    X, y = datasets.load_iris(return_X_y=True)
    clf.fit(X, y)

    config = json.loads(clf.get_booster().save_config())
    assert int(config['learner']['generic_param']['nthread']) == 4

    clf.set_params(nthread=16)
    config = json.loads(clf.get_booster().save_config())
    assert int(config['learner']['generic_param']['nthread']) == 16

    clf.predict(X)
    config = json.loads(clf.get_booster().save_config())
    assert int(config['learner']['generic_param']['nthread']) == 16


def test_kwargs_error():
    params = {'updater': 'grow_gpu_hist', 'subsample': .5, 'n_jobs': -1}
    with pytest.raises(TypeError):
        clf = xgb.XGBClassifier(n_jobs=1000, **params)
        assert isinstance(clf, xgb.XGBClassifier)


def test_kwargs_grid_search():
    from sklearn.model_selection import GridSearchCV
    from sklearn import datasets

    params = {'tree_method': 'hist'}
    clf = xgb.XGBClassifier(n_estimators=1, learning_rate=1.0, **params)
    assert clf.get_params()['tree_method'] == 'hist'
    # 'max_leaves' is not a default argument of XGBClassifier
    # Check we can still do grid search over this parameter
    search_params = {'max_leaves': range(2, 5)}
    grid_cv = GridSearchCV(clf, search_params, cv=5)
    iris = datasets.load_iris()
    grid_cv.fit(iris.data, iris.target)

    # Expect unique results for each parameter value
    # This confirms sklearn is able to successfully update the parameter
    means = grid_cv.cv_results_['mean_test_score']
    assert len(means) == len(set(means))


def test_sklearn_clone():
    from sklearn.base import clone

    clf = xgb.XGBClassifier(n_jobs=2)
    clf.n_jobs = -1
    clone(clf)


def test_sklearn_get_default_params():
    from sklearn.datasets import load_digits
    digits_2class = load_digits(n_class=2)
    X = digits_2class['data']
    y = digits_2class['target']
    cls = xgb.XGBClassifier()
    assert cls.get_params()['base_score'] is None
    cls.fit(X[:4, ...], y[:4, ...])
    assert cls.get_params()['base_score'] is not None


def test_validation_weights_xgbmodel():
    from sklearn.datasets import make_hastie_10_2

    # prepare training and test data
    X, y = make_hastie_10_2(n_samples=2000, random_state=42)
    labels, y = np.unique(y, return_inverse=True)
    X_train, X_test = X[:1600], X[1600:]
    y_train, y_test = y[:1600], y[1600:]

    # instantiate model
    param_dist = {'objective': 'binary:logistic', 'n_estimators': 2,
                  'random_state': 123}
    clf = xgb.sklearn.XGBModel(**param_dist)

    # train it using instance weights only in the training set
    weights_train = np.random.choice([1, 2], len(X_train))
    clf.fit(X_train, y_train,
            sample_weight=weights_train,
            eval_set=[(X_test, y_test)],
            eval_metric='logloss',
            verbose=False)

    # evaluate logloss metric on test set *without* using weights
    evals_result_without_weights = clf.evals_result()
    logloss_without_weights = evals_result_without_weights[
        "validation_0"]["logloss"]

    # now use weights for the test set
    np.random.seed(0)
    weights_test = np.random.choice([1, 2], len(X_test))
    clf.fit(X_train, y_train,
            sample_weight=weights_train,
            eval_set=[(X_test, y_test)],
            sample_weight_eval_set=[weights_test],
            eval_metric='logloss',
            verbose=False)
    evals_result_with_weights = clf.evals_result()
    logloss_with_weights = evals_result_with_weights["validation_0"]["logloss"]

    # check that the logloss in the test set is actually different when using
    # weights than when not using them
    assert all((logloss_with_weights[i] != logloss_without_weights[i]
                for i in [0, 1]))

    with pytest.raises(AssertionError):
        # length of eval set and sample weight doesn't match.
        clf.fit(X_train, y_train, sample_weight=weights_train,
                eval_set=[(X_train, y_train), (X_test, y_test)],
                sample_weight_eval_set=[weights_train])

    with pytest.raises(AssertionError):
        cls = xgb.XGBClassifier()
        cls.fit(X_train, y_train, sample_weight=weights_train,
                eval_set=[(X_train, y_train), (X_test, y_test)],
                sample_weight_eval_set=[weights_train])


def test_validation_weights_xgbclassifier():
    from sklearn.datasets import make_hastie_10_2

    # prepare training and test data
    X, y = make_hastie_10_2(n_samples=2000, random_state=42)
    labels, y = np.unique(y, return_inverse=True)
    X_train, X_test = X[:1600], X[1600:]
    y_train, y_test = y[:1600], y[1600:]

    # instantiate model
    param_dist = {'objective': 'binary:logistic', 'n_estimators': 2,
                  'random_state': 123}
    clf = xgb.sklearn.XGBClassifier(**param_dist)

    # train it using instance weights only in the training set
    weights_train = np.random.choice([1, 2], len(X_train))
    clf.fit(X_train, y_train,
            sample_weight=weights_train,
            eval_set=[(X_test, y_test)],
            eval_metric='logloss',
            verbose=False)

    # evaluate logloss metric on test set *without* using weights
    evals_result_without_weights = clf.evals_result()
    logloss_without_weights = evals_result_without_weights[
        "validation_0"]["logloss"]

    # now use weights for the test set
    np.random.seed(0)
    weights_test = np.random.choice([1, 2], len(X_test))
    clf.fit(X_train, y_train,
            sample_weight=weights_train,
            eval_set=[(X_test, y_test)],
            sample_weight_eval_set=[weights_test],
            eval_metric='logloss',
            verbose=False)
    evals_result_with_weights = clf.evals_result()
    logloss_with_weights = evals_result_with_weights["validation_0"]["logloss"]

    # check that the logloss in the test set is actually different
    # when using weights than when not using them
    assert all((logloss_with_weights[i] != logloss_without_weights[i]
                for i in [0, 1]))


def save_load_model(model_path):
    from sklearn.datasets import load_digits
    from sklearn.model_selection import KFold

    digits = load_digits(n_class=2)
    y = digits['target']
    X = digits['data']
    kf = KFold(n_splits=2, shuffle=True, random_state=rng)
    for train_index, test_index in kf.split(X, y):
        xgb_model = xgb.XGBClassifier(use_label_encoder=False).fit(X[train_index], y[train_index])
        xgb_model.save_model(model_path)
        xgb_model = xgb.XGBClassifier(use_label_encoder=False)
        xgb_model.load_model(model_path)
        assert isinstance(xgb_model.classes_, np.ndarray)
        assert isinstance(xgb_model._Booster, xgb.Booster)
        preds = xgb_model.predict(X[test_index])
        labels = y[test_index]
        err = sum(1 for i in range(len(preds))
                  if int(preds[i] > 0.5) != labels[i]) / float(len(preds))
        assert err < 0.1
        assert xgb_model.get_booster().attr('scikit_learn') is None

        # test native booster
        preds = xgb_model.predict(X[test_index], output_margin=True)
        booster = xgb.Booster(model_file=model_path)
        predt_1 = booster.predict(xgb.DMatrix(X[test_index]),
                                  output_margin=True)
        assert np.allclose(preds, predt_1)

        with pytest.raises(TypeError):
            xgb_model = xgb.XGBModel()
            xgb_model.load_model(model_path)


def test_save_load_model():
    with TemporaryDirectory() as tempdir:
        model_path = os.path.join(tempdir, 'digits.model')
        save_load_model(model_path)

    with TemporaryDirectory() as tempdir:
        model_path = os.path.join(tempdir, 'digits.model.json')
        save_load_model(model_path)

    from sklearn.datasets import load_digits
    with TemporaryDirectory() as tempdir:
        model_path = os.path.join(tempdir, 'digits.model.json')
        digits = load_digits(n_class=2)
        y = digits['target']
        X = digits['data']
        booster = xgb.train({'tree_method': 'hist',
                             'objective': 'binary:logistic'},
                            dtrain=xgb.DMatrix(X, y),
                            num_boost_round=4)
        predt_0 = booster.predict(xgb.DMatrix(X))
        booster.save_model(model_path)
        cls = xgb.XGBClassifier()
        cls.load_model(model_path)
        predt_1 = cls.predict_proba(X)[:, 1]
        assert np.allclose(predt_0, predt_1)

        cls = xgb.XGBModel()
        cls.load_model(model_path)
        predt_1 = cls.predict(X)
        assert np.allclose(predt_0, predt_1)


def test_RFECV():
    from sklearn.datasets import load_boston
    from sklearn.datasets import load_breast_cancer
    from sklearn.datasets import load_iris
    from sklearn.feature_selection import RFECV

    # Regression
    X, y = load_boston(return_X_y=True)
    bst = xgb.XGBRegressor(booster='gblinear', learning_rate=0.1,
                           n_estimators=10,
                           objective='reg:squarederror',
                           random_state=0, verbosity=0)
    rfecv = RFECV(
        estimator=bst, step=1, cv=3, scoring='neg_mean_squared_error')
    rfecv.fit(X, y)

    # Binary classification
    X, y = load_breast_cancer(return_X_y=True)
    bst = xgb.XGBClassifier(booster='gblinear', learning_rate=0.1,
                            n_estimators=10,
                            objective='binary:logistic',
                            random_state=0, verbosity=0, use_label_encoder=False)
    rfecv = RFECV(estimator=bst, step=1, cv=3, scoring='roc_auc')
    rfecv.fit(X, y)

    # Multi-class classification
    X, y = load_iris(return_X_y=True)
    bst = xgb.XGBClassifier(base_score=0.4, booster='gblinear',
                            learning_rate=0.1,
                            n_estimators=10,
                            objective='multi:softprob',
                            random_state=0, reg_alpha=0.001, reg_lambda=0.01,
                            scale_pos_weight=0.5, verbosity=0, use_label_encoder=False)
    rfecv = RFECV(estimator=bst, step=1, cv=3, scoring='neg_log_loss')
    rfecv.fit(X, y)

    X[0:4, :] = np.nan          # verify scikit_learn doesn't throw with nan
    reg = xgb.XGBRegressor()
    rfecv = RFECV(estimator=reg)
    rfecv.fit(X, y)

    cls = xgb.XGBClassifier(use_label_encoder=False)
    rfecv = RFECV(estimator=cls, step=1, cv=3,
                  scoring='neg_mean_squared_error')
    rfecv.fit(X, y)


def test_XGBClassifier_resume():
    from sklearn.datasets import load_breast_cancer
    from sklearn.metrics import log_loss

    with TemporaryDirectory() as tempdir:
        model1_path = os.path.join(tempdir, 'test_XGBClassifier.model')
        model1_booster_path = os.path.join(tempdir, 'test_XGBClassifier.booster')

        X, Y = load_breast_cancer(return_X_y=True)

        model1 = xgb.XGBClassifier(
            learning_rate=0.3, random_state=0, n_estimators=8)
        model1.fit(X, Y)

        pred1 = model1.predict(X)
        log_loss1 = log_loss(pred1, Y)

        # file name of stored xgb model
        model1.save_model(model1_path)
        model2 = xgb.XGBClassifier(
            learning_rate=0.3, random_state=0, n_estimators=8)
        model2.fit(X, Y, xgb_model=model1_path)

        pred2 = model2.predict(X)
        log_loss2 = log_loss(pred2, Y)

        assert np.any(pred1 != pred2)
        assert log_loss1 > log_loss2

        # file name of 'Booster' instance Xgb model
        model1.get_booster().save_model(model1_booster_path)
        model2 = xgb.XGBClassifier(
            learning_rate=0.3, random_state=0, n_estimators=8)
        model2.fit(X, Y, xgb_model=model1_booster_path)

        pred2 = model2.predict(X)
        log_loss2 = log_loss(pred2, Y)

        assert np.any(pred1 != pred2)
        assert log_loss1 > log_loss2


def test_constraint_parameters():
    reg = xgb.XGBRegressor(interaction_constraints='[[0, 1], [2, 3, 4]]')
    X = np.random.randn(10, 10)
    y = np.random.randn(10)
    reg.fit(X, y)

    config = json.loads(reg.get_booster().save_config())
    assert config['learner']['gradient_booster']['updater']['grow_colmaker'][
        'train_param']['interaction_constraints'] == '[[0, 1], [2, 3, 4]]'


def test_parameter_validation():
    reg = xgb.XGBRegressor(foo='bar', verbosity=1)
    X = np.random.randn(10, 10)
    y = np.random.randn(10)
    with tm.captured_output() as (out, err):
        reg.fit(X, y)
        output = out.getvalue().strip()

    assert output.find('foo') != -1

    reg = xgb.XGBRegressor(n_estimators=2, missing=3,
                           importance_type='gain', verbosity=1)
    X = np.random.randn(10, 10)
    y = np.random.randn(10)
    with tm.captured_output() as (out, err):
        reg.fit(X, y)
        output = out.getvalue().strip()

    assert len(output) == 0


def test_deprecate_position_arg():
    from sklearn.datasets import load_digits
    X, y = load_digits(return_X_y=True, n_class=2)
    w = y
    with pytest.warns(FutureWarning):
        xgb.XGBRegressor(3, learning_rate=0.1)
    model = xgb.XGBRegressor(n_estimators=1)
    with pytest.warns(FutureWarning):
        model.fit(X, y, w)

    with pytest.warns(FutureWarning):
        xgb.XGBClassifier(1, use_label_encoder=False)
    model = xgb.XGBClassifier(n_estimators=1, use_label_encoder=False)
    with pytest.warns(FutureWarning):
        model.fit(X, y, w)

    with pytest.warns(FutureWarning):
        xgb.XGBRanker('rank:ndcg', learning_rate=0.1)
    model = xgb.XGBRanker(n_estimators=1)
    group = np.repeat(1, X.shape[0])
    with pytest.warns(FutureWarning):
        model.fit(X, y, group)

    with pytest.warns(FutureWarning):
        xgb.XGBRFRegressor(1, learning_rate=0.1)
    model = xgb.XGBRFRegressor(n_estimators=1)
    with pytest.warns(FutureWarning):
        model.fit(X, y, w)

    with pytest.warns(FutureWarning):
        xgb.XGBRFClassifier(1, use_label_encoder=True)
    model = xgb.XGBRFClassifier(n_estimators=1)
    with pytest.warns(FutureWarning):
        model.fit(X, y, w)


@pytest.mark.skipif(**tm.no_pandas())
def test_pandas_input():
    import pandas as pd
    from sklearn.calibration import CalibratedClassifierCV
    rng = np.random.RandomState(1994)

    kRows = 100
    kCols = 6

    X = rng.randint(low=0, high=2, size=kRows*kCols)
    X = X.reshape(kRows, kCols)

    df = pd.DataFrame(X)
    feature_names = []
    for i in range(1, kCols):
        feature_names += ['k'+str(i)]

    df.columns = ['status'] + feature_names

    target = df['status']
    train = df.drop(columns=['status'])
    model = xgb.XGBClassifier()
    model.fit(train, target)
    clf_isotonic = CalibratedClassifierCV(model,
                                          cv='prefit', method='isotonic')
    clf_isotonic.fit(train, target)
    assert isinstance(clf_isotonic.calibrated_classifiers_[0].base_estimator,
                      xgb.XGBClassifier)
    np.testing.assert_allclose(np.array(clf_isotonic.classes_),
                               np.array([0, 1]))


def run_feature_weights(X, y, fw, model=xgb.XGBRegressor):
    with TemporaryDirectory() as tmpdir:
        colsample_bynode = 0.5
        reg = model(tree_method='hist', colsample_bynode=colsample_bynode)

        reg.fit(X, y, feature_weights=fw)
        model_path = os.path.join(tmpdir, 'model.json')
        reg.save_model(model_path)
        with open(model_path) as fd:
            model = json.load(fd)

        parser_path = os.path.join(tm.PROJECT_ROOT, 'demo', 'json-model',
                                   'json_parser.py')
        spec = importlib.util.spec_from_file_location("JsonParser",
                                                      parser_path)
        foo = importlib.util.module_from_spec(spec)
        spec.loader.exec_module(foo)
        model = foo.Model(model)
        splits = {}
        total_nodes = 0
        for tree in model.trees:
            n_nodes = len(tree.nodes)
            total_nodes += n_nodes
            for n in range(n_nodes):
                if tree.is_leaf(n):
                    continue
                if splits.get(tree.split_index(n), None) is None:
                    splits[tree.split_index(n)] = 1
                else:
                    splits[tree.split_index(n)] += 1

        od = collections.OrderedDict(sorted(splits.items()))
        tuples = [(k, v) for k, v in od.items()]
        k, v = list(zip(*tuples))
        w = np.polyfit(k, v, deg=1)
        return w


def test_feature_weights():
    kRows = 512
    kCols = 64
    X = rng.randn(kRows, kCols)
    y = rng.randn(kRows)

    fw = np.ones(shape=(kCols,))
    for i in range(kCols):
        fw[i] *= float(i)
    poly_increasing = run_feature_weights(X, y, fw, xgb.XGBRegressor)

    fw = np.ones(shape=(kCols,))
    for i in range(kCols):
        fw[i] *= float(kCols - i)
    poly_decreasing = run_feature_weights(X, y, fw, xgb.XGBRegressor)

    # Approxmated test, this is dependent on the implementation of random
    # number generator in std library.
    assert poly_increasing[0] > 0.08
    assert poly_decreasing[0] < -0.08


def run_boost_from_prediction(tree_method):
    from sklearn.datasets import load_breast_cancer
    X, y = load_breast_cancer(return_X_y=True)
    model_0 = xgb.XGBClassifier(
        learning_rate=0.3, random_state=0, n_estimators=4,
        tree_method=tree_method)
    model_0.fit(X=X, y=y)
    margin = model_0.predict(X, output_margin=True)

    model_1 = xgb.XGBClassifier(
        learning_rate=0.3, random_state=0, n_estimators=4,
        tree_method=tree_method)
    model_1.fit(X=X, y=y, base_margin=margin)
    predictions_1 = model_1.predict(X, base_margin=margin)

    cls_2 = xgb.XGBClassifier(
        learning_rate=0.3, random_state=0, n_estimators=8,
        tree_method=tree_method)
    cls_2.fit(X=X, y=y)
    predictions_2 = cls_2.predict(X)
    assert np.all(predictions_1 == predictions_2)


@pytest.mark.skipif(**tm.no_sklearn())
def test_boost_from_prediction_hist():
    run_boost_from_prediction('hist')


@pytest.mark.skipif(**tm.no_sklearn())
def test_boost_from_prediction_approx():
    run_boost_from_prediction('approx')


@pytest.mark.skipif(**tm.no_sklearn())
def test_boost_from_prediction_exact():
    run_boost_from_prediction('exact')