projektAI/venv/Lib/site-packages/sklearn/inspection/_plot/partial_dependence.py
2021-06-06 22:13:05 +02:00

993 lines
38 KiB
Python

import numbers
from itertools import chain
from math import ceil
import numpy as np
from scipy import sparse
from scipy.stats.mstats import mquantiles
from joblib import Parallel
from .. import partial_dependence
from ...base import is_regressor
from ...utils import check_array
from ...utils import check_matplotlib_support # noqa
from ...utils import check_random_state
from ...utils import _safe_indexing
from ...utils.validation import _deprecate_positional_args
from ...utils.fixes import delayed
@_deprecate_positional_args
def plot_partial_dependence(
estimator,
X,
features,
*,
feature_names=None,
target=None,
response_method="auto",
n_cols=3,
grid_resolution=100,
percentiles=(0.05, 0.95),
method="auto",
n_jobs=None,
verbose=0,
line_kw=None,
contour_kw=None,
ax=None,
kind="average",
subsample=1000,
random_state=None,
):
"""Partial dependence (PD) and individual conditional expectation (ICE)
plots.
Partial dependence plots, individual conditional expectation plots or an
overlay of both of them can be plotted by setting the ``kind``
parameter.
The ``len(features)`` plots are arranged in a grid with ``n_cols``
columns. Two-way partial dependence plots are plotted as contour plots. The
deciles of the feature values will be shown with tick marks on the x-axes
for one-way plots, and on both axes for two-way plots.
Read more in the :ref:`User Guide <partial_dependence>`.
.. note::
:func:`plot_partial_dependence` does not support using the same axes
with multiple calls. To plot the the partial dependence for multiple
estimators, please pass the axes created by the first call to the
second call::
>>> from sklearn.inspection import plot_partial_dependence
>>> from sklearn.datasets import make_friedman1
>>> from sklearn.linear_model import LinearRegression
>>> from sklearn.ensemble import RandomForestRegressor
>>> X, y = make_friedman1()
>>> est1 = LinearRegression().fit(X, y)
>>> est2 = RandomForestRegressor().fit(X, y)
>>> disp1 = plot_partial_dependence(est1, X,
... [1, 2]) # doctest: +SKIP
>>> disp2 = plot_partial_dependence(est2, X, [1, 2],
... ax=disp1.axes_) # doctest: +SKIP
.. warning::
For :class:`~sklearn.ensemble.GradientBoostingClassifier` and
:class:`~sklearn.ensemble.GradientBoostingRegressor`, the
`'recursion'` method (used by default) will not account for the `init`
predictor of the boosting process. In practice, this will produce
the same values as `'brute'` up to a constant offset in the target
response, provided that `init` is a constant estimator (which is the
default). However, if `init` is not a constant estimator, the
partial dependence values are incorrect for `'recursion'` because the
offset will be sample-dependent. It is preferable to use the `'brute'`
method. Note that this only applies to
:class:`~sklearn.ensemble.GradientBoostingClassifier` and
:class:`~sklearn.ensemble.GradientBoostingRegressor`, not to
:class:`~sklearn.ensemble.HistGradientBoostingClassifier` and
:class:`~sklearn.ensemble.HistGradientBoostingRegressor`.
Parameters
----------
estimator : BaseEstimator
A fitted estimator object implementing :term:`predict`,
:term:`predict_proba`, or :term:`decision_function`.
Multioutput-multiclass classifiers are not supported.
X : {array-like or dataframe} of shape (n_samples, n_features)
``X`` is used to generate a grid of values for the target
``features`` (where the partial dependence will be evaluated), and
also to generate values for the complement features when the
`method` is `'brute'`.
features : list of {int, str, pair of int, pair of str}
The target features for which to create the PDPs.
If `features[i]` is an integer or a string, a one-way PDP is created;
if `features[i]` is a tuple, a two-way PDP is created (only supported
with `kind='average'`). Each tuple must be of size 2.
if any entry is a string, then it must be in ``feature_names``.
feature_names : array-like of shape (n_features,), dtype=str, default=None
Name of each feature; `feature_names[i]` holds the name of the feature
with index `i`.
By default, the name of the feature corresponds to their numerical
index for NumPy array and their column name for pandas dataframe.
target : int, default=None
- In a multiclass setting, specifies the class for which the PDPs
should be computed. Note that for binary classification, the
positive class (index 1) is always used.
- In a multioutput setting, specifies the task for which the PDPs
should be computed.
Ignored in binary classification or classical regression settings.
response_method : {'auto', 'predict_proba', 'decision_function'}, \
default='auto'
Specifies whether to use :term:`predict_proba` or
:term:`decision_function` as the target response. For regressors
this parameter is ignored and the response is always the output of
:term:`predict`. By default, :term:`predict_proba` is tried first
and we revert to :term:`decision_function` if it doesn't exist. If
``method`` is `'recursion'`, the response is always the output of
:term:`decision_function`.
n_cols : int, default=3
The maximum number of columns in the grid plot. Only active when `ax`
is a single axis or `None`.
grid_resolution : int, default=100
The number of equally spaced points on the axes of the plots, for each
target feature.
percentiles : tuple of float, default=(0.05, 0.95)
The lower and upper percentile used to create the extreme values
for the PDP axes. Must be in [0, 1].
method : str, default='auto'
The method used to calculate the averaged predictions:
- `'recursion'` is only supported for some tree-based estimators
(namely
:class:`~sklearn.ensemble.GradientBoostingClassifier`,
:class:`~sklearn.ensemble.GradientBoostingRegressor`,
:class:`~sklearn.ensemble.HistGradientBoostingClassifier`,
:class:`~sklearn.ensemble.HistGradientBoostingRegressor`,
:class:`~sklearn.tree.DecisionTreeRegressor`,
:class:`~sklearn.ensemble.RandomForestRegressor`
but is more efficient in terms of speed.
With this method, the target response of a
classifier is always the decision function, not the predicted
probabilities. Since the `'recursion'` method implicitely computes
the average of the ICEs by design, it is not compatible with ICE and
thus `kind` must be `'average'`.
- `'brute'` is supported for any estimator, but is more
computationally intensive.
- `'auto'`: the `'recursion'` is used for estimators that support it,
and `'brute'` is used otherwise.
Please see :ref:`this note <pdp_method_differences>` for
differences between the `'brute'` and `'recursion'` method.
n_jobs : int, default=None
The number of CPUs to use to compute the partial dependences.
Computation is parallelized over features specified by the `features`
parameter.
``None`` means 1 unless in a :obj:`joblib.parallel_backend` context.
``-1`` means using all processors. See :term:`Glossary <n_jobs>`
for more details.
verbose : int, default=0
Verbose output during PD computations.
line_kw : dict, default=None
Dict with keywords passed to the ``matplotlib.pyplot.plot`` call.
For one-way partial dependence plots.
contour_kw : dict, default=None
Dict with keywords passed to the ``matplotlib.pyplot.contourf`` call.
For two-way partial dependence plots.
ax : Matplotlib axes or array-like of Matplotlib axes, default=None
- If a single axis is passed in, it is treated as a bounding axes
and a grid of partial dependence plots will be drawn within
these bounds. The `n_cols` parameter controls the number of
columns in the grid.
- If an array-like of axes are passed in, the partial dependence
plots will be drawn directly into these axes.
- If `None`, a figure and a bounding axes is created and treated
as the single axes case.
.. versionadded:: 0.22
kind : {'average', 'individual', 'both'}, default='average'
Whether to plot the partial dependence averaged across all the samples
in the dataset or one line per sample or both.
- ``kind='average'`` results in the traditional PD plot;
- ``kind='individual'`` results in the ICE plot.
Note that the fast ``method='recursion'`` option is only available for
``kind='average'``. Plotting individual dependencies requires using the
slower ``method='brute'`` option.
.. versionadded:: 0.24
subsample : float, int or None, default=1000
Sampling for ICE curves when `kind` is 'individual' or 'both'.
If `float`, should be between 0.0 and 1.0 and represent the proportion
of the dataset to be used to plot ICE curves. If `int`, represents the
absolute number samples to use.
Note that the full dataset is still used to calculate averaged partial
dependence when `kind='both'`.
.. versionadded:: 0.24
random_state : int, RandomState instance or None, default=None
Controls the randomness of the selected samples when subsamples is not
`None` and `kind` is either `'both'` or `'individual'`.
See :term:`Glossary <random_state>` for details.
.. versionadded:: 0.24
Returns
-------
display : :class:`~sklearn.inspection.PartialDependenceDisplay`
See Also
--------
partial_dependence : Compute Partial Dependence values.
PartialDependenceDisplay : Partial Dependence visualization.
Examples
--------
>>> from sklearn.datasets import make_friedman1
>>> from sklearn.ensemble import GradientBoostingRegressor
>>> X, y = make_friedman1()
>>> clf = GradientBoostingRegressor(n_estimators=10).fit(X, y)
>>> plot_partial_dependence(clf, X, [0, (0, 1)]) #doctest: +SKIP
"""
check_matplotlib_support('plot_partial_dependence') # noqa
import matplotlib.pyplot as plt # noqa
# set target_idx for multi-class estimators
if hasattr(estimator, 'classes_') and np.size(estimator.classes_) > 2:
if target is None:
raise ValueError('target must be specified for multi-class')
target_idx = np.searchsorted(estimator.classes_, target)
if (not (0 <= target_idx < len(estimator.classes_)) or
estimator.classes_[target_idx] != target):
raise ValueError('target not in est.classes_, got {}'.format(
target))
else:
# regression and binary classification
target_idx = 0
# Use check_array only on lists and other non-array-likes / sparse. Do not
# convert DataFrame into a NumPy array.
if not(hasattr(X, '__array__') or sparse.issparse(X)):
X = check_array(X, force_all_finite='allow-nan', dtype=object)
n_features = X.shape[1]
# convert feature_names to list
if feature_names is None:
if hasattr(X, "loc"):
# get the column names for a pandas dataframe
feature_names = X.columns.tolist()
else:
# define a list of numbered indices for a numpy array
feature_names = [str(i) for i in range(n_features)]
elif hasattr(feature_names, "tolist"):
# convert numpy array or pandas index to a list
feature_names = feature_names.tolist()
if len(set(feature_names)) != len(feature_names):
raise ValueError('feature_names should not contain duplicates.')
def convert_feature(fx):
if isinstance(fx, str):
try:
fx = feature_names.index(fx)
except ValueError as e:
raise ValueError('Feature %s not in feature_names' % fx) from e
return int(fx)
# convert features into a seq of int tuples
tmp_features = []
for fxs in features:
if isinstance(fxs, (numbers.Integral, str)):
fxs = (fxs,)
try:
fxs = tuple(convert_feature(fx) for fx in fxs)
except TypeError as e:
raise ValueError(
'Each entry in features must be either an int, '
'a string, or an iterable of size at most 2.'
) from e
if not 1 <= np.size(fxs) <= 2:
raise ValueError('Each entry in features must be either an int, '
'a string, or an iterable of size at most 2.')
if kind != 'average' and np.size(fxs) > 1:
raise ValueError(
f"It is not possible to display individual effects for more "
f"than one feature at a time. Got: features={features}.")
tmp_features.append(fxs)
features = tmp_features
# Early exit if the axes does not have the correct number of axes
if ax is not None and not isinstance(ax, plt.Axes):
axes = np.asarray(ax, dtype=object)
if axes.size != len(features):
raise ValueError("Expected ax to have {} axes, got {}".format(
len(features), axes.size))
for i in chain.from_iterable(features):
if i >= len(feature_names):
raise ValueError('All entries of features must be less than '
'len(feature_names) = {0}, got {1}.'
.format(len(feature_names), i))
if isinstance(subsample, numbers.Integral):
if subsample <= 0:
raise ValueError(
f"When an integer, subsample={subsample} should be positive."
)
elif isinstance(subsample, numbers.Real):
if subsample <= 0 or subsample >= 1:
raise ValueError(
f"When a floating-point, subsample={subsample} should be in "
f"the (0, 1) range."
)
# compute predictions and/or averaged predictions
pd_results = Parallel(n_jobs=n_jobs, verbose=verbose)(
delayed(partial_dependence)(estimator, X, fxs,
response_method=response_method,
method=method,
grid_resolution=grid_resolution,
percentiles=percentiles,
kind=kind)
for fxs in features)
# For multioutput regression, we can only check the validity of target
# now that we have the predictions.
# Also note: as multiclass-multioutput classifiers are not supported,
# multiclass and multioutput scenario are mutually exclusive. So there is
# no risk of overwriting target_idx here.
pd_result = pd_results[0] # checking the first result is enough
n_tasks = (pd_result.average.shape[0] if kind == 'average'
else pd_result.individual.shape[0])
if is_regressor(estimator) and n_tasks > 1:
if target is None:
raise ValueError(
'target must be specified for multi-output regressors')
if not 0 <= target <= n_tasks:
raise ValueError(
'target must be in [0, n_tasks], got {}.'.format(target))
target_idx = target
# get global min and max average predictions of PD grouped by plot type
pdp_lim = {}
for pdp in pd_results:
values = pdp["values"]
preds = (pdp.average if kind == 'average' else pdp.individual)
min_pd = preds[target_idx].min()
max_pd = preds[target_idx].max()
n_fx = len(values)
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)
deciles = {}
for fx in chain.from_iterable(features):
if fx not in deciles:
X_col = _safe_indexing(X, fx, axis=1)
deciles[fx] = mquantiles(X_col, prob=np.arange(0.1, 1.0, 0.1))
display = PartialDependenceDisplay(
pd_results=pd_results,
features=features,
feature_names=feature_names,
target_idx=target_idx,
pdp_lim=pdp_lim,
deciles=deciles,
kind=kind,
subsample=subsample,
random_state=random_state,
)
return display.plot(
ax=ax, n_cols=n_cols, line_kw=line_kw, contour_kw=contour_kw
)
class PartialDependenceDisplay:
"""Partial Dependence Plot (PDP).
This can also display individual partial dependencies which are often
referred to as: Individual Condition Expectation (ICE).
It is recommended to use
:func:`~sklearn.inspection.plot_partial_dependence` to create a
:class:`~sklearn.inspection.PartialDependenceDisplay`. All parameters are
stored as attributes.
Read more in
:ref:`sphx_glr_auto_examples_miscellaneous_plot_partial_dependence_visualization_api.py`
and the :ref:`User Guide <visualizations>`.
.. versionadded:: 0.22
Parameters
----------
pd_results : list of Bunch
Results of :func:`~sklearn.inspection.partial_dependence` for
``features``.
features : list of (int,) or list of (int, int)
Indices of features for a given plot. A tuple of one integer will plot
a partial dependence curve of one feature. A tuple of two integers will
plot a two-way partial dependence curve as a contour plot.
feature_names : list of str
Feature names corresponding to the indices in ``features``.
target_idx : int
- In a multiclass setting, specifies the class for which the PDPs
should be computed. Note that for binary classification, the
positive class (index 1) is always used.
- In a multioutput setting, specifies the task for which the PDPs
should be computed.
Ignored in binary classification or classical regression settings.
pdp_lim : dict
Global min and max average predictions, such that all plots will have
the same scale and y limits. `pdp_lim[1]` is the global min and max for
single partial dependence curves. `pdp_lim[2]` is the global min and
max for two-way partial dependence curves.
deciles : dict
Deciles for feature indices in ``features``.
kind : {'average', 'individual', 'both'}, default='average'
Whether to plot the partial dependence averaged across all the samples
in the dataset or one line per sample or both.
- ``kind='average'`` results in the traditional PD plot;
- ``kind='individual'`` results in the ICE plot.
Note that the fast ``method='recursion'`` option is only available for
``kind='average'``. Plotting individual dependencies requires using the
slower ``method='brute'`` option.
.. versionadded:: 0.24
subsample : float, int or None, default=1000
Sampling for ICE curves when `kind` is 'individual' or 'both'.
If float, should be between 0.0 and 1.0 and represent the proportion
of the dataset to be used to plot ICE curves. If int, represents the
maximum absolute number of samples to use.
Note that the full dataset is still used to calculate partial
dependence when `kind='both'`.
.. versionadded:: 0.24
random_state : int, RandomState instance or None, default=None
Controls the randomness of the selected samples when subsamples is not
`None`. See :term:`Glossary <random_state>` for details.
.. versionadded:: 0.24
Attributes
----------
bounding_ax_ : matplotlib Axes or None
If `ax` is an axes or None, the `bounding_ax_` is the axes where the
grid of partial dependence plots are drawn. If `ax` is a list of axes
or a numpy array of axes, `bounding_ax_` is None.
axes_ : ndarray of matplotlib Axes
If `ax` is an axes or None, `axes_[i, j]` is the axes on the i-th row
and j-th column. If `ax` is a list of axes, `axes_[i]` is the i-th item
in `ax`. Elements that are None correspond to a nonexisting axes in
that position.
lines_ : ndarray of matplotlib Artists
If `ax` is an axes or None, `lines_[i, j]` is the partial dependence
curve on the i-th row and j-th column. If `ax` is a list of axes,
`lines_[i]` is the partial dependence curve corresponding to the i-th
item in `ax`. Elements that are None correspond to a nonexisting axes
or an axes that does not include a line plot.
deciles_vlines_ : ndarray of matplotlib LineCollection
If `ax` is an axes or None, `vlines_[i, j]` is the line collection
representing the x axis deciles of the i-th row and j-th column. If
`ax` is a list of axes, `vlines_[i]` corresponds to the i-th item in
`ax`. Elements that are None correspond to a nonexisting axes or an
axes that does not include a PDP plot.
.. versionadded:: 0.23
deciles_hlines_ : ndarray of matplotlib LineCollection
If `ax` is an axes or None, `vlines_[i, j]` is the line collection
representing the y axis deciles of the i-th row and j-th column. If
`ax` is a list of axes, `vlines_[i]` corresponds to the i-th item in
`ax`. Elements that are None correspond to a nonexisting axes or an
axes that does not include a 2-way plot.
.. versionadded:: 0.23
contours_ : ndarray of matplotlib Artists
If `ax` is an axes or None, `contours_[i, j]` is the partial dependence
plot on the i-th row and j-th column. If `ax` is a list of axes,
`contours_[i]` is the partial dependence plot corresponding to the i-th
item in `ax`. Elements that are None correspond to a nonexisting axes
or an axes that does not include a contour plot.
figure_ : matplotlib Figure
Figure containing partial dependence plots.
See Also
--------
partial_dependence : Compute Partial Dependence values.
plot_partial_dependence : Plot Partial Dependence.
"""
@_deprecate_positional_args
def __init__(
self,
pd_results,
*,
features,
feature_names,
target_idx,
pdp_lim,
deciles,
kind="average",
subsample=1000,
random_state=None,
):
self.pd_results = pd_results
self.features = features
self.feature_names = feature_names
self.target_idx = target_idx
self.pdp_lim = pdp_lim
self.deciles = deciles
self.kind = kind
self.subsample = subsample
self.random_state = random_state
def _get_sample_count(self, n_samples):
"""Compute the number of samples as an integer."""
if isinstance(self.subsample, numbers.Integral):
if self.subsample < n_samples:
return self.subsample
return n_samples
elif isinstance(self.subsample, numbers.Real):
return ceil(n_samples * self.subsample)
return n_samples
def _plot_ice_lines(
self, preds, feature_values, n_ice_to_plot,
ax, pd_plot_idx, n_total_lines_by_plot, individual_line_kw
):
"""Plot the ICE lines.
Parameters
----------
preds : ndarray of shape \
(n_instances, n_grid_points)
The predictions computed for all points of `feature_values` for a
given feature for all samples in `X`.
feature_values : ndarray of shape (n_grid_points,)
The feature values for which the predictions have been computed.
n_ice_to_plot : int
The number of ICE lines to plot.
ax : Matplotlib axes
The axis on which to plot the ICE lines.
pd_plot_idx : int
The sequential index of the plot. It will be unraveled to find the
matching 2D position in the grid layout.
n_total_lines_by_plot : int
The total number of lines expected to be plot on the axis.
individual_line_kw : dict
Dict with keywords passed when plotting the ICE lines.
"""
rng = check_random_state(self.random_state)
# subsample ice
ice_lines_idx = rng.choice(
preds.shape[0], n_ice_to_plot, replace=False,
)
ice_lines_subsampled = preds[ice_lines_idx, :]
# plot the subsampled ice
for ice_idx, ice in enumerate(ice_lines_subsampled):
line_idx = np.unravel_index(
pd_plot_idx * n_total_lines_by_plot + ice_idx,
self.lines_.shape
)
self.lines_[line_idx] = ax.plot(
feature_values, ice.ravel(), **individual_line_kw
)[0]
def _plot_average_dependence(
self,
avg_preds,
feature_values,
ax,
pd_line_idx,
line_kw,
):
"""Plot the average partial dependence.
Parameters
----------
avg_preds : ndarray of shape (n_grid_points,)
The average predictions for all points of `feature_values` for a
given feature for all samples in `X`.
feature_values : ndarray of shape (n_grid_points,)
The feature values for which the predictions have been computed.
ax : Matplotlib axes
The axis on which to plot the ICE lines.
pd_line_idx : int
The sequential index of the plot. It will be unraveled to find the
matching 2D position in the grid layout.
line_kw : dict
Dict with keywords passed when plotting the PD plot.
"""
line_idx = np.unravel_index(pd_line_idx, self.lines_.shape)
self.lines_[line_idx] = ax.plot(
feature_values,
avg_preds,
**line_kw,
)[0]
def _plot_one_way_partial_dependence(
self,
preds,
avg_preds,
feature_values,
feature_idx,
n_ice_lines,
ax,
n_cols,
pd_plot_idx,
n_lines,
individual_line_kw,
line_kw,
):
"""Plot 1-way partial dependence: ICE and PDP.
Parameters
----------
preds : ndarray of shape \
(n_instances, n_grid_points) or None
The predictions computed for all points of `feature_values` for a
given feature for all samples in `X`.
avg_preds : ndarray of shape (n_grid_points,)
The average predictions for all points of `feature_values` for a
given feature for all samples in `X`.
feature_values : ndarray of shape (n_grid_points,)
The feature values for which the predictions have been computed.
feature_idx : int
The index corresponding to the target feature.
n_ice_lines : int
The number of ICE lines to plot.
ax : Matplotlib axes
The axis on which to plot the ICE and PDP lines.
n_cols : int or None
The number of column in the axis.
pd_plot_idx : int
The sequential index of the plot. It will be unraveled to find the
matching 2D position in the grid layout.
n_lines : int
The total number of lines expected to be plot on the axis.
individual_line_kw : dict
Dict with keywords passed when plotting the ICE lines.
line_kw : dict
Dict with keywords passed when plotting the PD plot.
"""
from matplotlib import transforms # noqa
if self.kind in ("individual", "both"):
self._plot_ice_lines(
preds[self.target_idx],
feature_values,
n_ice_lines,
ax,
pd_plot_idx,
n_lines,
individual_line_kw,
)
if self.kind in ("average", "both"):
# the average is stored as the last line
if self.kind == "average":
pd_line_idx = pd_plot_idx
else:
pd_line_idx = pd_plot_idx * n_lines + n_ice_lines
self._plot_average_dependence(
avg_preds[self.target_idx].ravel(),
feature_values,
ax,
pd_line_idx,
line_kw,
)
trans = transforms.blended_transform_factory(
ax.transData, ax.transAxes
)
# create the decile line for the vertical axis
vlines_idx = np.unravel_index(pd_plot_idx, self.deciles_vlines_.shape)
self.deciles_vlines_[vlines_idx] = ax.vlines(
self.deciles[feature_idx[0]],
0,
0.05,
transform=trans,
color="k",
)
# reset ylim which was overwritten by vlines
ax.set_ylim(self.pdp_lim[1])
# Set xlabel if it is not already set
if not ax.get_xlabel():
ax.set_xlabel(self.feature_names[feature_idx[0]])
if n_cols is None or pd_plot_idx % n_cols == 0:
if not ax.get_ylabel():
ax.set_ylabel('Partial dependence')
else:
ax.set_yticklabels([])
if line_kw.get("label", None) and self.kind != 'individual':
ax.legend()
def _plot_two_way_partial_dependence(
self,
avg_preds,
feature_values,
feature_idx,
ax,
pd_plot_idx,
Z_level,
contour_kw,
):
"""Plot 2-way partial dependence.
Parameters
----------
avg_preds : ndarray of shape \
(n_instances, n_grid_points, n_grid_points)
The average predictions for all points of `feature_values[0]` and
`feature_values[1]` for some given features for all samples in `X`.
feature_values : seq of 1d array
A sequence of array of the feature values for which the predictions
have been computed.
feature_idx : tuple of int
The indices of the target features
ax : Matplotlib axes
The axis on which to plot the ICE and PDP lines.
pd_plot_idx : int
The sequential index of the plot. It will be unraveled to find the
matching 2D position in the grid layout.
Z_level : ndarray of shape (8, 8)
The Z-level used to encode the average predictions.
contour_kw : dict
Dict with keywords passed when plotting the contours.
"""
from matplotlib import transforms # noqa
XX, YY = np.meshgrid(feature_values[0], feature_values[1])
Z = avg_preds[self.target_idx].T
CS = ax.contour(XX, YY, Z, levels=Z_level, linewidths=0.5, colors="k")
contour_idx = np.unravel_index(pd_plot_idx, self.contours_.shape)
self.contours_[contour_idx] = ax.contourf(
XX,
YY,
Z,
levels=Z_level,
vmax=Z_level[-1],
vmin=Z_level[0],
**contour_kw,
)
ax.clabel(CS, fmt="%2.2f", colors="k", fontsize=10, inline=True)
trans = transforms.blended_transform_factory(
ax.transData, ax.transAxes
)
# create the decile line for the vertical axis
xlim, ylim = ax.get_xlim(), ax.get_ylim()
vlines_idx = np.unravel_index(pd_plot_idx, self.deciles_vlines_.shape)
self.deciles_vlines_[vlines_idx] = ax.vlines(
self.deciles[feature_idx[0]], 0, 0.05, transform=trans, color="k",
)
# create the decile line for the horizontal axis
hlines_idx = np.unravel_index(pd_plot_idx, self.deciles_hlines_.shape)
self.deciles_hlines_[hlines_idx] = ax.hlines(
self.deciles[feature_idx[1]], 0, 0.05, transform=trans, color="k",
)
# reset xlim and ylim since they are overwritten by hlines and vlines
ax.set_xlim(xlim)
ax.set_ylim(ylim)
# set xlabel if it is not already set
if not ax.get_xlabel():
ax.set_xlabel(self.feature_names[feature_idx[0]])
ax.set_ylabel(self.feature_names[feature_idx[1]])
@_deprecate_positional_args(version="1.1")
def plot(self, *, ax=None, n_cols=3, line_kw=None, contour_kw=None):
"""Plot partial dependence plots.
Parameters
----------
ax : Matplotlib axes or array-like of Matplotlib axes, default=None
- If a single axis is passed in, it is treated as a bounding axes
and a grid of partial dependence plots will be drawn within
these bounds. The `n_cols` parameter controls the number of
columns in the grid.
- If an array-like of axes are passed in, the partial dependence
plots will be drawn directly into these axes.
- If `None`, a figure and a bounding axes is created and treated
as the single axes case.
n_cols : int, default=3
The maximum number of columns in the grid plot. Only active when
`ax` is a single axes or `None`.
line_kw : dict, default=None
Dict with keywords passed to the `matplotlib.pyplot.plot` call.
For one-way partial dependence plots.
contour_kw : dict, default=None
Dict with keywords passed to the `matplotlib.pyplot.contourf`
call for two-way partial dependence plots.
Returns
-------
display : :class:`~sklearn.inspection.PartialDependenceDisplay`
"""
check_matplotlib_support("plot_partial_dependence")
import matplotlib.pyplot as plt # noqa
from matplotlib.gridspec import GridSpecFromSubplotSpec # noqa
if line_kw is None:
line_kw = {}
if contour_kw is None:
contour_kw = {}
if ax is None:
_, ax = plt.subplots()
default_contour_kws = {"alpha": 0.75}
contour_kw = {**default_contour_kws, **contour_kw}
default_line_kws = {
"color": "C0",
"label": "average" if self.kind == "both" else None,
}
line_kw = {**default_line_kws, **line_kw}
individual_line_kw = line_kw.copy()
del individual_line_kw["label"]
if self.kind == 'individual' or self.kind == 'both':
individual_line_kw['alpha'] = 0.3
individual_line_kw['linewidth'] = 0.5
n_features = len(self.features)
if self.kind in ("individual", "both"):
n_ice_lines = self._get_sample_count(
len(self.pd_results[0].individual[0])
)
if self.kind == "individual":
n_lines = n_ice_lines
else:
n_lines = n_ice_lines + 1
else:
n_ice_lines = 0
n_lines = 1
if isinstance(ax, plt.Axes):
# If ax was set off, it has most likely been set to off
# by a previous call to plot.
if not ax.axison:
raise ValueError("The ax was already used in another plot "
"function, please set ax=display.axes_ "
"instead")
ax.set_axis_off()
self.bounding_ax_ = ax
self.figure_ = ax.figure
n_cols = min(n_cols, n_features)
n_rows = int(np.ceil(n_features / float(n_cols)))
self.axes_ = np.empty((n_rows, n_cols), dtype=object)
if self.kind == 'average':
self.lines_ = np.empty((n_rows, n_cols), dtype=object)
else:
self.lines_ = np.empty((n_rows, n_cols, n_lines), dtype=object)
self.contours_ = np.empty((n_rows, n_cols), dtype=object)
axes_ravel = self.axes_.ravel()
gs = GridSpecFromSubplotSpec(n_rows, n_cols,
subplot_spec=ax.get_subplotspec())
for i, spec in zip(range(n_features), gs):
axes_ravel[i] = self.figure_.add_subplot(spec)
else: # array-like
ax = np.asarray(ax, dtype=object)
if ax.size != n_features:
raise ValueError("Expected ax to have {} axes, got {}"
.format(n_features, ax.size))
if ax.ndim == 2:
n_cols = ax.shape[1]
else:
n_cols = None
self.bounding_ax_ = None
self.figure_ = ax.ravel()[0].figure
self.axes_ = ax
if self.kind == 'average':
self.lines_ = np.empty_like(ax, dtype=object)
else:
self.lines_ = np.empty(ax.shape + (n_lines,), dtype=object)
self.contours_ = np.empty_like(ax, dtype=object)
# create contour levels for two-way plots
if 2 in self.pdp_lim:
Z_level = np.linspace(*self.pdp_lim[2], num=8)
self.deciles_vlines_ = np.empty_like(self.axes_, dtype=object)
self.deciles_hlines_ = np.empty_like(self.axes_, dtype=object)
for pd_plot_idx, (axi, feature_idx, pd_result) in enumerate(
zip(self.axes_.ravel(), self.features, self.pd_results)
):
avg_preds = None
preds = None
feature_values = pd_result["values"]
if self.kind == 'individual':
preds = pd_result.individual
elif self.kind == 'average':
avg_preds = pd_result.average
else: # kind='both'
avg_preds = pd_result.average
preds = pd_result.individual
if len(feature_values) == 1:
self._plot_one_way_partial_dependence(
preds,
avg_preds,
feature_values[0],
feature_idx,
n_ice_lines,
axi,
n_cols,
pd_plot_idx,
n_lines,
individual_line_kw,
line_kw,
)
else:
self._plot_two_way_partial_dependence(
avg_preds,
feature_values,
feature_idx,
axi,
pd_plot_idx,
Z_level,
contour_kw,
)
return self