413 lines
15 KiB
Python
413 lines
15 KiB
Python
import numpy as np
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from ...base import is_regressor
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from ...preprocessing import LabelEncoder
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from ...utils import _safe_indexing
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from ...utils._optional_dependencies import check_matplotlib_support
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from ...utils._response import _get_response_values
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from ...utils._set_output import _get_adapter_from_container
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from ...utils.validation import (
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_is_arraylike_not_scalar,
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_is_pandas_df,
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_is_polars_df,
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_num_features,
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check_is_fitted,
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)
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def _check_boundary_response_method(estimator, response_method, class_of_interest):
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"""Validate the response methods to be used with the fitted estimator.
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Parameters
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----------
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estimator : object
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Fitted estimator to check.
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response_method : {'auto', 'predict_proba', 'decision_function', 'predict'}
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Specifies whether to use :term:`predict_proba`,
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:term:`decision_function`, :term:`predict` as the target response.
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If set to 'auto', the response method is tried in the following order:
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:term:`decision_function`, :term:`predict_proba`, :term:`predict`.
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class_of_interest : int, float, bool, str or None
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The class considered when plotting the decision. If the label is specified, it
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is then possible to plot the decision boundary in multiclass settings.
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.. versionadded:: 1.4
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Returns
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-------
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prediction_method : list of str or str
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The name or list of names of the response methods to use.
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"""
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has_classes = hasattr(estimator, "classes_")
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if has_classes and _is_arraylike_not_scalar(estimator.classes_[0]):
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msg = "Multi-label and multi-output multi-class classifiers are not supported"
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raise ValueError(msg)
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if has_classes and len(estimator.classes_) > 2:
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if response_method not in {"auto", "predict"} and class_of_interest is None:
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msg = (
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"Multiclass classifiers are only supported when `response_method` is "
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"'predict' or 'auto'. Else you must provide `class_of_interest` to "
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"plot the decision boundary of a specific class."
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)
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raise ValueError(msg)
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prediction_method = "predict" if response_method == "auto" else response_method
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elif response_method == "auto":
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if is_regressor(estimator):
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prediction_method = "predict"
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else:
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prediction_method = ["decision_function", "predict_proba", "predict"]
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else:
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prediction_method = response_method
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return prediction_method
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class DecisionBoundaryDisplay:
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"""Decisions boundary visualization.
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It is recommended to use
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:func:`~sklearn.inspection.DecisionBoundaryDisplay.from_estimator`
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to create a :class:`DecisionBoundaryDisplay`. All parameters are stored as
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attributes.
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Read more in the :ref:`User Guide <visualizations>`.
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.. versionadded:: 1.1
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Parameters
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----------
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xx0 : ndarray of shape (grid_resolution, grid_resolution)
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First output of :func:`meshgrid <numpy.meshgrid>`.
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xx1 : ndarray of shape (grid_resolution, grid_resolution)
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Second output of :func:`meshgrid <numpy.meshgrid>`.
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response : ndarray of shape (grid_resolution, grid_resolution)
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Values of the response function.
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xlabel : str, default=None
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Default label to place on x axis.
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ylabel : str, default=None
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Default label to place on y axis.
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Attributes
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----------
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surface_ : matplotlib `QuadContourSet` or `QuadMesh`
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If `plot_method` is 'contour' or 'contourf', `surface_` is a
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:class:`QuadContourSet <matplotlib.contour.QuadContourSet>`. If
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`plot_method` is 'pcolormesh', `surface_` is a
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:class:`QuadMesh <matplotlib.collections.QuadMesh>`.
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ax_ : matplotlib Axes
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Axes with decision boundary.
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figure_ : matplotlib Figure
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Figure containing the decision boundary.
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See Also
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--------
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DecisionBoundaryDisplay.from_estimator : Plot decision boundary given an estimator.
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Examples
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--------
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>>> import matplotlib.pyplot as plt
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>>> import numpy as np
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>>> from sklearn.datasets import load_iris
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>>> from sklearn.inspection import DecisionBoundaryDisplay
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>>> from sklearn.tree import DecisionTreeClassifier
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>>> iris = load_iris()
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>>> feature_1, feature_2 = np.meshgrid(
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... np.linspace(iris.data[:, 0].min(), iris.data[:, 0].max()),
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... np.linspace(iris.data[:, 1].min(), iris.data[:, 1].max())
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... )
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>>> grid = np.vstack([feature_1.ravel(), feature_2.ravel()]).T
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>>> tree = DecisionTreeClassifier().fit(iris.data[:, :2], iris.target)
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>>> y_pred = np.reshape(tree.predict(grid), feature_1.shape)
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>>> display = DecisionBoundaryDisplay(
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... xx0=feature_1, xx1=feature_2, response=y_pred
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... )
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>>> display.plot()
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<...>
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>>> display.ax_.scatter(
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... iris.data[:, 0], iris.data[:, 1], c=iris.target, edgecolor="black"
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... )
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<...>
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>>> plt.show()
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"""
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def __init__(self, *, xx0, xx1, response, xlabel=None, ylabel=None):
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self.xx0 = xx0
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self.xx1 = xx1
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self.response = response
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self.xlabel = xlabel
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self.ylabel = ylabel
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def plot(self, plot_method="contourf", ax=None, xlabel=None, ylabel=None, **kwargs):
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"""Plot visualization.
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Parameters
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----------
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plot_method : {'contourf', 'contour', 'pcolormesh'}, default='contourf'
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Plotting method to call when plotting the response. Please refer
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to the following matplotlib documentation for details:
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:func:`contourf <matplotlib.pyplot.contourf>`,
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:func:`contour <matplotlib.pyplot.contour>`,
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:func:`pcolormesh <matplotlib.pyplot.pcolormesh>`.
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ax : Matplotlib axes, default=None
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Axes object to plot on. If `None`, a new figure and axes is
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created.
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xlabel : str, default=None
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Overwrite the x-axis label.
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ylabel : str, default=None
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Overwrite the y-axis label.
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**kwargs : dict
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Additional keyword arguments to be passed to the `plot_method`.
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Returns
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-------
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display: :class:`~sklearn.inspection.DecisionBoundaryDisplay`
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Object that stores computed values.
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"""
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check_matplotlib_support("DecisionBoundaryDisplay.plot")
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import matplotlib.pyplot as plt # noqa
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if plot_method not in ("contourf", "contour", "pcolormesh"):
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raise ValueError(
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"plot_method must be 'contourf', 'contour', or 'pcolormesh'"
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)
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if ax is None:
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_, ax = plt.subplots()
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plot_func = getattr(ax, plot_method)
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self.surface_ = plot_func(self.xx0, self.xx1, self.response, **kwargs)
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if xlabel is not None or not ax.get_xlabel():
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xlabel = self.xlabel if xlabel is None else xlabel
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ax.set_xlabel(xlabel)
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if ylabel is not None or not ax.get_ylabel():
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ylabel = self.ylabel if ylabel is None else ylabel
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ax.set_ylabel(ylabel)
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self.ax_ = ax
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self.figure_ = ax.figure
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return self
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@classmethod
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def from_estimator(
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cls,
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estimator,
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X,
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*,
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grid_resolution=100,
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eps=1.0,
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plot_method="contourf",
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response_method="auto",
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class_of_interest=None,
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xlabel=None,
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ylabel=None,
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ax=None,
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**kwargs,
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):
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"""Plot decision boundary given an estimator.
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Read more in the :ref:`User Guide <visualizations>`.
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Parameters
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----------
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estimator : object
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Trained estimator used to plot the decision boundary.
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X : {array-like, sparse matrix, dataframe} of shape (n_samples, 2)
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Input data that should be only 2-dimensional.
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grid_resolution : int, default=100
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Number of grid points to use for plotting decision boundary.
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Higher values will make the plot look nicer but be slower to
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render.
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eps : float, default=1.0
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Extends the minimum and maximum values of X for evaluating the
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response function.
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plot_method : {'contourf', 'contour', 'pcolormesh'}, default='contourf'
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Plotting method to call when plotting the response. Please refer
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to the following matplotlib documentation for details:
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:func:`contourf <matplotlib.pyplot.contourf>`,
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:func:`contour <matplotlib.pyplot.contour>`,
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:func:`pcolormesh <matplotlib.pyplot.pcolormesh>`.
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response_method : {'auto', 'predict_proba', 'decision_function', \
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'predict'}, default='auto'
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Specifies whether to use :term:`predict_proba`,
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:term:`decision_function`, :term:`predict` as the target response.
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If set to 'auto', the response method is tried in the following order:
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:term:`decision_function`, :term:`predict_proba`, :term:`predict`.
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For multiclass problems, :term:`predict` is selected when
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`response_method="auto"`.
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class_of_interest : int, float, bool or str, default=None
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The class considered when plotting the decision. If None,
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`estimator.classes_[1]` is considered as the positive class
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for binary classifiers. For multiclass classifiers, passing
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an explicit value for `class_of_interest` is mandatory.
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.. versionadded:: 1.4
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xlabel : str, default=None
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The label used for the x-axis. If `None`, an attempt is made to
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extract a label from `X` if it is a dataframe, otherwise an empty
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string is used.
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ylabel : str, default=None
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The label used for the y-axis. If `None`, an attempt is made to
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extract a label from `X` if it is a dataframe, otherwise an empty
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string is used.
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ax : Matplotlib axes, default=None
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Axes object to plot on. If `None`, a new figure and axes is
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created.
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**kwargs : dict
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Additional keyword arguments to be passed to the
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`plot_method`.
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Returns
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-------
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display : :class:`~sklearn.inspection.DecisionBoundaryDisplay`
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Object that stores the result.
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See Also
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--------
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DecisionBoundaryDisplay : Decision boundary visualization.
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sklearn.metrics.ConfusionMatrixDisplay.from_estimator : Plot the
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confusion matrix given an estimator, the data, and the label.
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sklearn.metrics.ConfusionMatrixDisplay.from_predictions : Plot the
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confusion matrix given the true and predicted labels.
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Examples
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--------
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>>> import matplotlib.pyplot as plt
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>>> from sklearn.datasets import load_iris
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>>> from sklearn.linear_model import LogisticRegression
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>>> from sklearn.inspection import DecisionBoundaryDisplay
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>>> iris = load_iris()
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>>> X = iris.data[:, :2]
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>>> classifier = LogisticRegression().fit(X, iris.target)
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>>> disp = DecisionBoundaryDisplay.from_estimator(
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... classifier, X, response_method="predict",
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... xlabel=iris.feature_names[0], ylabel=iris.feature_names[1],
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... alpha=0.5,
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... )
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>>> disp.ax_.scatter(X[:, 0], X[:, 1], c=iris.target, edgecolor="k")
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<...>
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>>> plt.show()
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"""
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check_matplotlib_support(f"{cls.__name__}.from_estimator")
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check_is_fitted(estimator)
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if not grid_resolution > 1:
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raise ValueError(
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"grid_resolution must be greater than 1. Got"
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f" {grid_resolution} instead."
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)
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if not eps >= 0:
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raise ValueError(
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f"eps must be greater than or equal to 0. Got {eps} instead."
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)
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possible_plot_methods = ("contourf", "contour", "pcolormesh")
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if plot_method not in possible_plot_methods:
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available_methods = ", ".join(possible_plot_methods)
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raise ValueError(
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f"plot_method must be one of {available_methods}. "
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f"Got {plot_method} instead."
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)
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num_features = _num_features(X)
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if num_features != 2:
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raise ValueError(
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f"n_features must be equal to 2. Got {num_features} instead."
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)
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x0, x1 = _safe_indexing(X, 0, axis=1), _safe_indexing(X, 1, axis=1)
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x0_min, x0_max = x0.min() - eps, x0.max() + eps
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x1_min, x1_max = x1.min() - eps, x1.max() + eps
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xx0, xx1 = np.meshgrid(
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np.linspace(x0_min, x0_max, grid_resolution),
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np.linspace(x1_min, x1_max, grid_resolution),
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)
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X_grid = np.c_[xx0.ravel(), xx1.ravel()]
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if _is_pandas_df(X) or _is_polars_df(X):
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adapter = _get_adapter_from_container(X)
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X_grid = adapter.create_container(
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X_grid,
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X_grid,
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columns=X.columns,
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)
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prediction_method = _check_boundary_response_method(
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estimator, response_method, class_of_interest
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)
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try:
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response, _, response_method_used = _get_response_values(
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estimator,
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X_grid,
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response_method=prediction_method,
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pos_label=class_of_interest,
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return_response_method_used=True,
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)
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except ValueError as exc:
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if "is not a valid label" in str(exc):
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# re-raise a more informative error message since `pos_label` is unknown
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# to our user when interacting with
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# `DecisionBoundaryDisplay.from_estimator`
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raise ValueError(
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f"class_of_interest={class_of_interest} is not a valid label: It "
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f"should be one of {estimator.classes_}"
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) from exc
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raise
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# convert classes predictions into integers
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if response_method_used == "predict" and hasattr(estimator, "classes_"):
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encoder = LabelEncoder()
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encoder.classes_ = estimator.classes_
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response = encoder.transform(response)
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if response.ndim != 1:
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if is_regressor(estimator):
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raise ValueError("Multi-output regressors are not supported")
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# For the multiclass case, `_get_response_values` returns the response
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# as-is. Thus, we have a column per class and we need to select the column
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# corresponding to the positive class.
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col_idx = np.flatnonzero(estimator.classes_ == class_of_interest)[0]
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response = response[:, col_idx]
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if xlabel is None:
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xlabel = X.columns[0] if hasattr(X, "columns") else ""
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if ylabel is None:
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ylabel = X.columns[1] if hasattr(X, "columns") else ""
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display = cls(
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xx0=xx0,
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xx1=xx1,
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response=response.reshape(xx0.shape),
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xlabel=xlabel,
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ylabel=ylabel,
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)
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return display.plot(ax=ax, plot_method=plot_method, **kwargs)
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