"""Partial dependence plots for tree ensembles. """ # Authors: Peter Prettenhofer # License: BSD 3 clause from itertools import count import numbers import numpy as np from scipy.stats.mstats import mquantiles from ..utils.extmath import cartesian from ..externals.joblib import Parallel, delayed from ..externals import six from ..externals.six.moves import map, range, zip from ..utils import check_array from ..utils.validation import check_is_fitted from ..tree._tree import DTYPE from ._gradient_boosting import _partial_dependence_tree from .gradient_boosting import BaseGradientBoosting def _grid_from_X(X, percentiles=(0.05, 0.95), grid_resolution=100): """Generate a grid of points based on the ``percentiles of ``X``. The grid is generated by placing ``grid_resolution`` equally spaced points between the ``percentiles`` of each column of ``X``. Parameters ---------- X : ndarray The data percentiles : tuple of floats The percentiles which are used to construct the extreme values of the grid axes. grid_resolution : int The number of equally spaced points that are placed on the grid. Returns ------- grid : ndarray All data points on the grid; ``grid.shape[1] == X.shape[1]`` and ``grid.shape[0] == grid_resolution * X.shape[1]``. axes : seq of ndarray The axes with which the grid has been created. """ if len(percentiles) != 2: raise ValueError('percentile must be tuple of len 2') if not all(0. <= x <= 1. for x in percentiles): raise ValueError('percentile values must be in [0, 1]') axes = [] emp_percentiles = mquantiles(X, prob=percentiles, axis=0) for col in range(X.shape[1]): uniques = np.unique(X[:, col]) if uniques.shape[0] < grid_resolution: # feature has low resolution use unique vals axis = uniques else: # create axis based on percentiles and grid resolution axis = np.linspace(emp_percentiles[0, col], emp_percentiles[1, col], num=grid_resolution, endpoint=True) axes.append(axis) return cartesian(axes), axes def partial_dependence(gbrt, target_variables, grid=None, X=None, percentiles=(0.05, 0.95), grid_resolution=100): """Partial dependence of ``target_variables``. Partial dependence plots show the dependence between the joint values of the ``target_variables`` and the function represented by the ``gbrt``. Read more in the :ref:`User Guide `. Parameters ---------- gbrt : BaseGradientBoosting A fitted gradient boosting model. target_variables : array-like, dtype=int The target features for which the partial dependecy should be computed (size should be smaller than 3 for visual renderings). grid : array-like, shape=(n_points, len(target_variables)) The grid of ``target_variables`` values for which the partial dependecy should be evaluated (either ``grid`` or ``X`` must be specified). X : array-like, shape=(n_samples, n_features) The data on which ``gbrt`` was trained. It is used to generate a ``grid`` for the ``target_variables``. The ``grid`` comprises ``grid_resolution`` equally spaced points between the two ``percentiles``. percentiles : (low, high), default=(0.05, 0.95) The lower and upper percentile used create the extreme values for the ``grid``. Only if ``X`` is not None. grid_resolution : int, default=100 The number of equally spaced points on the ``grid``. Returns ------- pdp : array, shape=(n_classes, n_points) The partial dependence function evaluated on the ``grid``. For regression and binary classification ``n_classes==1``. axes : seq of ndarray or None The axes with which the grid has been created or None if the grid has been given. Examples -------- >>> samples = [[0, 0, 2], [1, 0, 0]] >>> labels = [0, 1] >>> from sklearn.ensemble import GradientBoostingClassifier >>> gb = GradientBoostingClassifier(random_state=0).fit(samples, labels) >>> kwargs = dict(X=samples, percentiles=(0, 1), grid_resolution=2) >>> partial_dependence(gb, [0], **kwargs) # doctest: +SKIP (array([[-4.52..., 4.52...]]), [array([ 0., 1.])]) """ if not isinstance(gbrt, BaseGradientBoosting): raise ValueError('gbrt has to be an instance of BaseGradientBoosting') check_is_fitted(gbrt, 'estimators_') if (grid is None and X is None) or (grid is not None and X is not None): raise ValueError('Either grid or X must be specified') target_variables = np.asarray(target_variables, dtype=np.int32, order='C').ravel() if any([not (0 <= fx < gbrt.n_features_) for fx in target_variables]): raise ValueError('target_variables must be in [0, %d]' % (gbrt.n_features_ - 1)) if X is not None: X = check_array(X, dtype=DTYPE, order='C') grid, axes = _grid_from_X(X[:, target_variables], percentiles, grid_resolution) else: assert grid is not None # dont return axes if grid is given axes = None # grid must be 2d if grid.ndim == 1: grid = grid[:, np.newaxis] if grid.ndim != 2: raise ValueError('grid must be 2d but is %dd' % grid.ndim) grid = np.asarray(grid, dtype=DTYPE, order='C') assert grid.shape[1] == target_variables.shape[0] n_trees_per_stage = gbrt.estimators_.shape[1] n_estimators = gbrt.estimators_.shape[0] pdp = np.zeros((n_trees_per_stage, grid.shape[0],), dtype=np.float64, order='C') for stage in range(n_estimators): for k in range(n_trees_per_stage): tree = gbrt.estimators_[stage, k].tree_ _partial_dependence_tree(tree, grid, target_variables, gbrt.learning_rate, pdp[k]) return pdp, axes def plot_partial_dependence(gbrt, X, features, feature_names=None, label=None, n_cols=3, grid_resolution=100, percentiles=(0.05, 0.95), n_jobs=1, verbose=0, ax=None, line_kw=None, contour_kw=None, **fig_kw): """Partial dependence plots for ``features``. The ``len(features)`` plots are arranged in a grid with ``n_cols`` columns. Two-way partial dependence plots are plotted as contour plots. Read more in the :ref:`User Guide `. Parameters ---------- gbrt : BaseGradientBoosting A fitted gradient boosting model. X : array-like, shape=(n_samples, n_features) The data on which ``gbrt`` was trained. features : seq of ints, strings, or tuples of ints or strings If seq[i] is an int or a tuple with one int value, a one-way PDP is created; if seq[i] is a tuple of two ints, a two-way PDP is created. If feature_names is specified and seq[i] is an int, seq[i] must be < len(feature_names). If seq[i] is a string, feature_names must be specified, and seq[i] must be in feature_names. feature_names : seq of str Name of each feature; feature_names[i] holds the name of the feature with index i. label : object The class label for which the PDPs should be computed. Only if gbrt is a multi-class model. Must be in ``gbrt.classes_``. n_cols : int The number of columns in the grid plot (default: 3). percentiles : (low, high), default=(0.05, 0.95) The lower and upper percentile used to create the extreme values for the PDP axes. grid_resolution : int, default=100 The number of equally spaced points on the axes. n_jobs : int The number of CPUs to use to compute the PDs. -1 means 'all CPUs'. Defaults to 1. verbose : int Verbose output during PD computations. Defaults to 0. ax : Matplotlib axis object, default None An axis object onto which the plots will be drawn. line_kw : dict Dict with keywords passed to the ``matplotlib.pyplot.plot`` call. For one-way partial dependence plots. contour_kw : dict Dict with keywords passed to the ``matplotlib.pyplot.plot`` call. For two-way partial dependence plots. fig_kw : dict Dict with keywords passed to the figure() call. Note that all keywords not recognized above will be automatically included here. Returns ------- fig : figure The Matplotlib Figure object. axs : seq of Axis objects A seq of Axis objects, one for each subplot. Examples -------- >>> from sklearn.datasets import make_friedman1 >>> from sklearn.ensemble import GradientBoostingRegressor >>> X, y = make_friedman1() >>> clf = GradientBoostingRegressor(n_estimators=10).fit(X, y) >>> fig, axs = plot_partial_dependence(clf, X, [0, (0, 1)]) #doctest: +SKIP ... """ import matplotlib.pyplot as plt from matplotlib import transforms from matplotlib.ticker import MaxNLocator from matplotlib.ticker import ScalarFormatter if not isinstance(gbrt, BaseGradientBoosting): raise ValueError('gbrt has to be an instance of BaseGradientBoosting') check_is_fitted(gbrt, 'estimators_') # set label_idx for multi-class GBRT if hasattr(gbrt, 'classes_') and np.size(gbrt.classes_) > 2: if label is None: raise ValueError('label is not given for multi-class PDP') label_idx = np.searchsorted(gbrt.classes_, label) if gbrt.classes_[label_idx] != label: raise ValueError('label %s not in ``gbrt.classes_``' % str(label)) else: # regression and binary classification label_idx = 0 X = check_array(X, dtype=DTYPE, order='C') if gbrt.n_features_ != X.shape[1]: raise ValueError('X.shape[1] does not match gbrt.n_features_') if line_kw is None: line_kw = {'color': 'green'} if contour_kw is None: contour_kw = {} # convert feature_names to list if feature_names is None: # if not feature_names use fx indices as name feature_names = [str(i) for i in range(gbrt.n_features_)] elif isinstance(feature_names, np.ndarray): feature_names = feature_names.tolist() def convert_feature(fx): if isinstance(fx, six.string_types): try: fx = feature_names.index(fx) except ValueError: raise ValueError('Feature %s not in feature_names' % fx) return fx # convert features into a seq of int tuples tmp_features = [] for fxs in features: if isinstance(fxs, (numbers.Integral,) + six.string_types): fxs = (fxs,) try: fxs = np.array([convert_feature(fx) for fx in fxs], dtype=np.int32) except TypeError: raise ValueError('features must be either int, str, or tuple ' 'of int/str') if not (1 <= np.size(fxs) <= 2): raise ValueError('target features must be either one or two') tmp_features.append(fxs) features = tmp_features names = [] try: for fxs in features: l = [] # explicit loop so "i" is bound for exception below for i in fxs: l.append(feature_names[i]) names.append(l) except IndexError: raise ValueError('All entries of features must be less than ' 'len(feature_names) = {0}, got {1}.' .format(len(feature_names), i)) # compute PD functions pd_result = Parallel(n_jobs=n_jobs, verbose=verbose)( delayed(partial_dependence)(gbrt, fxs, X=X, grid_resolution=grid_resolution, percentiles=percentiles) for fxs in features) # get global min and max values of PD grouped by plot type pdp_lim = {} for pdp, axes in pd_result: min_pd, max_pd = pdp[label_idx].min(), pdp[label_idx].max() n_fx = len(axes) old_min_pd, old_max_pd = pdp_lim.get(n_fx, (min_pd, max_pd)) min_pd = min(min_pd, old_min_pd) max_pd = max(max_pd, old_max_pd) pdp_lim[n_fx] = (min_pd, max_pd) # create contour levels for two-way plots if 2 in pdp_lim: Z_level = np.linspace(*pdp_lim[2], num=8) if ax is None: fig = plt.figure(**fig_kw) else: fig = ax.get_figure() fig.clear() n_cols = min(n_cols, len(features)) n_rows = int(np.ceil(len(features) / float(n_cols))) axs = [] for i, fx, name, (pdp, axes) in zip(count(), features, names, pd_result): ax = fig.add_subplot(n_rows, n_cols, i + 1) if len(axes) == 1: ax.plot(axes[0], pdp[label_idx].ravel(), **line_kw) else: # make contour plot assert len(axes) == 2 XX, YY = np.meshgrid(axes[0], axes[1]) Z = pdp[label_idx].reshape(list(map(np.size, axes))).T CS = ax.contour(XX, YY, Z, levels=Z_level, linewidths=0.5, colors='k') ax.contourf(XX, YY, Z, levels=Z_level, vmax=Z_level[-1], vmin=Z_level[0], alpha=0.75, **contour_kw) ax.clabel(CS, fmt='%2.2f', colors='k', fontsize=10, inline=True) # plot data deciles + axes labels deciles = mquantiles(X[:, fx[0]], prob=np.arange(0.1, 1.0, 0.1)) trans = transforms.blended_transform_factory(ax.transData, ax.transAxes) ylim = ax.get_ylim() ax.vlines(deciles, [0], 0.05, transform=trans, color='k') ax.set_xlabel(name[0]) ax.set_ylim(ylim) # prevent x-axis ticks from overlapping ax.xaxis.set_major_locator(MaxNLocator(nbins=6, prune='lower')) tick_formatter = ScalarFormatter() tick_formatter.set_powerlimits((-3, 4)) ax.xaxis.set_major_formatter(tick_formatter) if len(axes) > 1: # two-way PDP - y-axis deciles + labels deciles = mquantiles(X[:, fx[1]], prob=np.arange(0.1, 1.0, 0.1)) trans = transforms.blended_transform_factory(ax.transAxes, ax.transData) xlim = ax.get_xlim() ax.hlines(deciles, [0], 0.05, transform=trans, color='k') ax.set_ylabel(name[1]) # hline erases xlim ax.set_xlim(xlim) else: ax.set_ylabel('Partial dependence') if len(axes) == 1: ax.set_ylim(pdp_lim[1]) axs.append(ax) fig.subplots_adjust(bottom=0.15, top=0.7, left=0.1, right=0.95, wspace=0.4, hspace=0.3) return fig, axs