scikit-survival 0.23.1__cp313-cp313-win_amd64.whl

sksurv/linear_model/coxph.py

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+# This program is free software: you can redistribute it and/or modify
+# it under the terms of the GNU General Public License as published by
+# the Free Software Foundation, either version 3 of the License, or
+# (at your option) any later version.
+#
+# This program is distributed in the hope that it will be useful,
+# but WITHOUT ANY WARRANTY; without even the implied warranty of
+# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+# GNU General Public License for more details.
+#
+# You should have received a copy of the GNU General Public License
+# along with this program.  If not, see <http://www.gnu.org/licenses/>.
+import numbers
+import warnings
+
+import numpy as np
+from scipy.linalg import solve
+from sklearn.base import BaseEstimator
+from sklearn.exceptions import ConvergenceWarning
+from sklearn.utils._param_validation import Interval, StrOptions
+from sklearn.utils.validation import check_array, check_is_fitted
+
+from ..base import SurvivalAnalysisMixin
+from ..functions import StepFunction
+from ..nonparametric import _compute_counts
+from ..util import check_array_survival
+
+__all__ = ["CoxPHSurvivalAnalysis"]
+
+
+class BreslowEstimator:
+    """Breslow's estimator of the cumulative hazard function.
+
+    Attributes
+    ----------
+    cum_baseline_hazard_ : :class:`sksurv.functions.StepFunction`
+        Cumulative baseline hazard function.
+
+    baseline_survival_ : :class:`sksurv.functions.StepFunction`
+        Baseline survival function.
+
+    unique_times_ : ndarray
+        Unique event times.
+    """
+
+    def fit(self, linear_predictor, event, time):
+        """Compute baseline cumulative hazard function.
+
+        Parameters
+        ----------
+        linear_predictor : array-like, shape = (n_samples,)
+            Linear predictor of risk: `X @ coef`.
+
+        event : array-like, shape = (n_samples,)
+            Contains binary event indicators.
+
+        time : array-like, shape = (n_samples,)
+            Contains event/censoring times.
+
+        Returns
+        -------
+        self
+        """
+        risk_score = np.exp(linear_predictor)
+        order = np.argsort(time, kind="mergesort")
+        risk_score = risk_score[order]
+        uniq_times, n_events, n_at_risk, _ = _compute_counts(event, time, order)
+
+        divisor = np.empty(n_at_risk.shape, dtype=float)
+        value = np.sum(risk_score)
+        divisor[0] = value
+        k = 0
+        for i in range(1, len(n_at_risk)):
+            d = n_at_risk[i - 1] - n_at_risk[i]
+            value -= risk_score[k : (k + d)].sum()
+            k += d
+            divisor[i] = value
+
+        assert k == n_at_risk[0] - n_at_risk[-1]
+
+        y = np.cumsum(n_events / divisor)
+        self.cum_baseline_hazard_ = StepFunction(uniq_times, y)
+        self.baseline_survival_ = StepFunction(uniq_times, np.exp(-y))
+        self.unique_times_ = uniq_times
+        return self
+
+    def get_cumulative_hazard_function(self, linear_predictor):
+        """Predict cumulative hazard function.
+
+        Parameters
+        ----------
+        linear_predictor : array-like, shape = (n_samples,)
+            Linear predictor of risk: `X @ coef`.
+
+        Returns
+        -------
+        cum_hazard : ndarray, shape = (n_samples,)
+            Predicted cumulative hazard functions.
+        """
+        risk_score = np.exp(linear_predictor)
+        n_samples = risk_score.shape[0]
+        funcs = np.empty(n_samples, dtype=object)
+        for i in range(n_samples):
+            funcs[i] = StepFunction(x=self.cum_baseline_hazard_.x, y=self.cum_baseline_hazard_.y, a=risk_score[i])
+        return funcs
+
+    def get_survival_function(self, linear_predictor):
+        """Predict survival function.
+
+        Parameters
+        ----------
+        linear_predictor : array-like, shape = (n_samples,)
+            Linear predictor of risk: `X @ coef`.
+
+        Returns
+        -------
+        survival : ndarray, shape = (n_samples,)
+            Predicted survival functions.
+        """
+        risk_score = np.exp(linear_predictor)
+        n_samples = risk_score.shape[0]
+        funcs = np.empty(n_samples, dtype=object)
+        for i in range(n_samples):
+            funcs[i] = StepFunction(x=self.baseline_survival_.x, y=np.power(self.baseline_survival_.y, risk_score[i]))
+        return funcs
+
+
+class CoxPHOptimizer:
+    """Negative partial log-likelihood of Cox proportional hazards model"""
+
+    def __init__(self, X, event, time, alpha, ties):
+        # sort descending
+        o = np.argsort(-time, kind="mergesort")
+        self.x = X[o, :]
+        self.event = event[o]
+        self.time = time[o]
+        self.alpha = alpha
+        self.no_alpha = np.all(self.alpha < np.finfo(self.alpha.dtype).eps)
+        self._is_breslow = ties == "breslow"
+
+    def nlog_likelihood(self, w):
+        """Compute negative partial log-likelihood
+
+        Parameters
+        ----------
+        w : array, shape = (n_features,)
+            Estimate of coefficients
+
+        Returns
+        -------
+        loss : float
+            Average negative partial log-likelihood
+        """
+        time = self.time
+        n_samples = self.x.shape[0]
+        breslow = self._is_breslow
+        xw = np.dot(self.x, w)
+
+        loss = 0
+        risk_set = 0
+        k = 0
+        while k < n_samples:
+            ti = time[k]
+            numerator = 0
+            n_events = 0
+            risk_set2 = 0
+            while k < n_samples and ti == time[k]:
+                if self.event[k]:
+                    numerator += xw[k]
+                    risk_set2 += np.exp(xw[k])
+                    n_events += 1
+                else:
+                    risk_set += np.exp(xw[k])
+                k += 1
+
+            if n_events > 0:
+                if breslow:
+                    risk_set += risk_set2
+                    loss -= (numerator - n_events * np.log(risk_set)) / n_samples
+                else:
+                    numerator /= n_events
+                    for _ in range(n_events):
+                        risk_set += risk_set2 / n_events
+                        loss -= (numerator - np.log(risk_set)) / n_samples
+
+        # add regularization term to log-likelihood
+        return loss + np.sum(self.alpha * np.square(w)) / (2.0 * n_samples)
+
+    def update(self, w, offset=0):
+        """Compute gradient and Hessian matrix with respect to `w`."""
+        time = self.time
+        x = self.x
+        breslow = self._is_breslow
+        exp_xw = np.exp(offset + np.dot(x, w))
+        n_samples, n_features = x.shape
+
+        gradient = np.zeros((1, n_features), dtype=w.dtype)
+        hessian = np.zeros((n_features, n_features), dtype=w.dtype)
+
+        inv_n_samples = 1.0 / n_samples
+        risk_set = 0
+        risk_set_x = np.zeros((1, n_features), dtype=w.dtype)
+        risk_set_xx = np.zeros((n_features, n_features), dtype=w.dtype)
+        k = 0
+        # iterate time in descending order
+        while k < n_samples:
+            ti = time[k]
+            n_events = 0
+            numerator = 0
+            risk_set2 = 0
+            risk_set_x2 = np.zeros_like(risk_set_x)
+            risk_set_xx2 = np.zeros_like(risk_set_xx)
+            while k < n_samples and ti == time[k]:
+                # preserve 2D shape of row vector
+                xk = x[k : k + 1]
+
+                # outer product
+                xx = np.dot(xk.T, xk)
+
+                if self.event[k]:
+                    numerator += xk
+                    risk_set2 += exp_xw[k]
+                    risk_set_x2 += exp_xw[k] * xk
+                    risk_set_xx2 += exp_xw[k] * xx
+                    n_events += 1
+                else:
+                    risk_set += exp_xw[k]
+                    risk_set_x += exp_xw[k] * xk
+                    risk_set_xx += exp_xw[k] * xx
+                k += 1
+
+            if n_events > 0:
+                if breslow:
+                    risk_set += risk_set2
+                    risk_set_x += risk_set_x2
+                    risk_set_xx += risk_set_xx2
+
+                    z = risk_set_x / risk_set
+                    gradient -= (numerator - n_events * z) * inv_n_samples
+
+                    a = risk_set_xx / risk_set
+                    # outer product
+                    b = np.dot(z.T, z)
+
+                    hessian += n_events * (a - b) * inv_n_samples
+                else:
+                    numerator /= n_events
+                    for _ in range(n_events):
+                        risk_set += risk_set2 / n_events
+                        risk_set_x += risk_set_x2 / n_events
+                        risk_set_xx += risk_set_xx2 / n_events
+
+                        z = risk_set_x / risk_set
+                        gradient -= (numerator - z) * inv_n_samples
+
+                        a = risk_set_xx / risk_set
+                        # outer product
+                        b = np.dot(z.T, z)
+
+                        hessian += (a - b) * inv_n_samples
+
+        if not self.no_alpha:
+            gradient += self.alpha * inv_n_samples * w
+
+            diag_idx = np.diag_indices(n_features)
+            hessian[diag_idx] += self.alpha * inv_n_samples
+
+        self.gradient = gradient.ravel()
+        self.hessian = hessian
+
+
+class VerboseReporter:
+    def __init__(self, verbose):
+        self.verbose = verbose
+
+    def end_max_iter(self, i):
+        if self.verbose > 0:
+            print(f"iter {i + 1:>6d}: reached maximum number of iterations. Stopping.")
+
+    def end_converged(self, i):
+        if self.verbose > 0:
+            print(f"iter {i + 1:>6d}: optimization converged")
+
+    def update(self, i, delta, loss_new):
+        if self.verbose > 2:
+            print(f"iter {i + 1:>6d}: update = {delta}")
+        if self.verbose > 1:
+            print(f"iter {i + 1:>6d}: loss = {loss_new:.10f}")
+
+    def step_halving(self, i, loss):
+        if self.verbose > 1:
+            print(f"iter {i:>6d}: loss increased, performing step-halving. loss = {loss:.10f}")
+
+
+class CoxPHSurvivalAnalysis(BaseEstimator, SurvivalAnalysisMixin):
+    """Cox proportional hazards model.
+
+    There are two possible choices for handling tied event times.
+    The default is Breslow's method, which considers each of the
+    events at a given time as distinct. Efron's method is more
+    accurate if there are a large number of ties. When the number
+    of ties is small, the estimated coefficients by Breslow's and
+    Efron's method are quite close. Uses Newton-Raphson optimization.
+
+    See [1]_, [2]_, [3]_ for further description.
+
+    Parameters
+    ----------
+    alpha : float, ndarray of shape (n_features,), optional, default: 0
+        Regularization parameter for ridge regression penalty.
+        If a single float, the same penalty is used for all features.
+        If an array, there must be one penalty for each feature.
+        If you want to include a subset of features without penalization,
+        set the corresponding entries to 0.
+
+    ties : {'breslow', 'efron'}, optional, default: 'breslow'
+        The method to handle tied event times. If there are
+        no tied event times all the methods are equivalent.
+
+    n_iter : int, optional, default: 100
+        Maximum number of iterations.
+
+    tol : float, optional, default: 1e-9
+        Convergence criteria. Convergence is based on the negative log-likelihood::
+
+        |1 - (new neg. log-likelihood / old neg. log-likelihood) | < tol
+
+    verbose : int, optional, default: 0
+        Specifies the amount of additional debug information
+        during optimization.
+
+    Attributes
+    ----------
+    coef_ : ndarray, shape = (n_features,)
+        Coefficients of the model
+
+    cum_baseline_hazard_ : :class:`sksurv.functions.StepFunction`
+        Estimated baseline cumulative hazard function.
+
+    baseline_survival_ : :class:`sksurv.functions.StepFunction`
+        Estimated baseline survival function.
+
+    n_features_in_ : int
+        Number of features seen during ``fit``.
+
+    feature_names_in_ : ndarray of shape (`n_features_in_`,)
+        Names of features seen during ``fit``. Defined only when `X`
+        has feature names that are all strings.
+
+    unique_times_ : array of shape = (n_unique_times,)
+        Unique time points.
+
+    See also
+    --------
+    sksurv.linear_model.CoxnetSurvivalAnalysis
+        Cox proportional hazards model with l1 (LASSO) and l2 (ridge) penalty.
+
+    References
+    ----------
+    .. [1] Cox, D. R. Regression models and life tables (with discussion).
+           Journal of the Royal Statistical Society. Series B, 34, 187-220, 1972.
+    .. [2] Breslow, N. E. Covariance Analysis of Censored Survival Data.
+           Biometrics 30 (1974): 89–99.
+    .. [3] Efron, B. The Efficiency of Cox’s Likelihood Function for Censored Data.
+           Journal of the American Statistical Association 72 (1977): 557–565.
+    """
+
+    _parameter_constraints: dict = {
+        "alpha": [Interval(numbers.Real, 0, None, closed="left"), np.ndarray],
+        "ties": [StrOptions({"breslow", "efron"})],
+        "n_iter": [Interval(numbers.Integral, 1, None, closed="left")],
+        "tol": [Interval(numbers.Real, 0, None, closed="left")],
+        "verbose": ["verbose"],
+    }
+
+    def __init__(self, alpha=0, *, ties="breslow", n_iter=100, tol=1e-9, verbose=0):
+        self.alpha = alpha
+        self.ties = ties
+        self.n_iter = n_iter
+        self.tol = tol
+        self.verbose = verbose
+
+        self._baseline_model = BreslowEstimator()
+
+    @property
+    def cum_baseline_hazard_(self):
+        return self._baseline_model.cum_baseline_hazard_
+
+    @property
+    def baseline_survival_(self):
+        return self._baseline_model.baseline_survival_
+
+    @property
+    def unique_times_(self):
+        return self._baseline_model.unique_times_
+
+    def fit(self, X, y):
+        """Minimize negative partial log-likelihood for provided data.
+
+        Parameters
+        ----------
+        X : array-like, shape = (n_samples, n_features)
+            Data matrix
+
+        y : structured array, shape = (n_samples,)
+            A structured array containing the binary event indicator
+            as first field, and time of event or time of censoring as
+            second field.
+
+        Returns
+        -------
+        self
+        """
+        self._validate_params()
+
+        X = self._validate_data(X, ensure_min_samples=2, dtype=np.float64)
+        event, time = check_array_survival(X, y)
+
+        if isinstance(self.alpha, (numbers.Real, numbers.Integral)):
+            alphas = np.empty(X.shape[1], dtype=float)
+            alphas[:] = self.alpha
+        else:
+            alphas = self.alpha
+
+        alphas = check_array(alphas, ensure_2d=False, ensure_min_samples=0, estimator=self, input_name="alpha")
+        if np.any(alphas < 0):
+            raise ValueError(f"alpha must be positive, but was {self.alpha!r}")
+        if alphas.shape[0] != X.shape[1]:
+            raise ValueError(f"Length alphas ({alphas.shape[0]}) must match number of features ({X.shape[1]}).")
+
+        optimizer = CoxPHOptimizer(X, event, time, alphas, self.ties)
+
+        verbose_reporter = VerboseReporter(self.verbose)
+        w = np.zeros(X.shape[1])
+        w_prev = w
+        i = 0
+        loss = float("inf")
+        while True:
+            if i >= self.n_iter:
+                verbose_reporter.end_max_iter(i)
+                warnings.warn(
+                    ("Optimization did not converge: Maximum number of iterations has been exceeded."),
+                    stacklevel=2,
+                    category=ConvergenceWarning,
+                )
+                break
+
+            optimizer.update(w)
+            delta = solve(
+                optimizer.hessian, optimizer.gradient, overwrite_a=False, overwrite_b=False, check_finite=False
+            )
+
+            if not np.all(np.isfinite(delta)):
+                raise ValueError("search direction contains NaN or infinite values")
+
+            w_new = w - delta
+            loss_new = optimizer.nlog_likelihood(w_new)
+            verbose_reporter.update(i, delta, loss_new)
+            if loss_new > loss:
+                # perform step-halving if negative log-likelihood does not decrease
+                w = (w_prev + w) / 2
+                loss = optimizer.nlog_likelihood(w)
+                verbose_reporter.step_halving(i, loss)
+                i += 1
+                continue
+
+            w_prev = w
+            w = w_new
+
+            res = np.abs(1 - (loss_new / loss))
+            if res < self.tol:
+                verbose_reporter.end_converged(i)
+                break
+
+            loss = loss_new
+            i += 1
+
+        self.coef_ = w
+        self._baseline_model.fit(np.dot(X, self.coef_), event, time)
+        return self
+
+    def predict(self, X):
+        """Predict risk scores.
+
+        Parameters
+        ----------
+        X : array-like, shape = (n_samples, n_features)
+            Data matrix.
+
+        Returns
+        -------
+        risk_score : array, shape = (n_samples,)
+            Predicted risk scores.
+        """
+        check_is_fitted(self, "coef_")
+
+        X = self._validate_data(X, reset=False)
+
+        return np.dot(X, self.coef_)
+
+    def predict_cumulative_hazard_function(self, X, return_array=False):
+        """Predict cumulative hazard function.
+
+        The cumulative hazard function for an individual
+        with feature vector :math:`x` is defined as
+
+        .. math::
+
+            H(t \\mid x) = \\exp(x^\\top \\beta) H_0(t) ,
+
+        where :math:`H_0(t)` is the baseline hazard function,
+        estimated by Breslow's estimator.
+
+        Parameters
+        ----------
+        X : array-like, shape = (n_samples, n_features)
+            Data matrix.
+
+        return_array : boolean
+            If set, return an array with the cumulative hazard rate
+            for each `self.unique_times_`, otherwise an array of
+            :class:`sksurv.functions.StepFunction`.
+
+        Returns
+        -------
+        cum_hazard : ndarray
+            If `return_array` is set, an array with the cumulative hazard rate
+            for each `self.unique_times_`, otherwise an array of length `n_samples`
+            of :class:`sksurv.functions.StepFunction` instances will be returned.
+
+        Examples
+        --------
+        >>> import matplotlib.pyplot as plt
+        >>> from sksurv.datasets import load_whas500
+        >>> from sksurv.linear_model import CoxPHSurvivalAnalysis
+
+        Load the data.
+
+        >>> X, y = load_whas500()
+        >>> X = X.astype(float)
+
+        Fit the model.
+
+        >>> estimator = CoxPHSurvivalAnalysis().fit(X, y)
+
+        Estimate the cumulative hazard function for the first 10 samples.
+
+        >>> chf_funcs = estimator.predict_cumulative_hazard_function(X.iloc[:10])
+
+        Plot the estimated cumulative hazard functions.
+
+        >>> for fn in chf_funcs:
+        ...     plt.step(fn.x, fn(fn.x), where="post")
+        ...
+        >>> plt.ylim(0, 1)
+        >>> plt.show()
+        """
+        return self._predict_cumulative_hazard_function(self._baseline_model, self.predict(X), return_array)
+
+    def predict_survival_function(self, X, return_array=False):
+        """Predict survival function.
+
+        The survival function for an individual
+        with feature vector :math:`x` is defined as
+
+        .. math::
+
+            S(t \\mid x) = S_0(t)^{\\exp(x^\\top \\beta)} ,
+
+        where :math:`S_0(t)` is the baseline survival function,
+        estimated by Breslow's estimator.
+
+        Parameters
+        ----------
+        X : array-like, shape = (n_samples, n_features)
+            Data matrix.
+
+        return_array : boolean, default: False
+            If set, return an array with the probability
+            of survival for each `self.unique_times_`,
+            otherwise an array of :class:`sksurv.functions.StepFunction`.
+
+        Returns
+        -------
+        survival : ndarray
+            If `return_array` is set, an array with the probability of
+            survival for each `self.unique_times_`, otherwise an array of
+            length `n_samples` of :class:`sksurv.functions.StepFunction`
+            instances will be returned.
+
+        Examples
+        --------
+        >>> import matplotlib.pyplot as plt
+        >>> from sksurv.datasets import load_whas500
+        >>> from sksurv.linear_model import CoxPHSurvivalAnalysis
+
+        Load the data.
+
+        >>> X, y = load_whas500()
+        >>> X = X.astype(float)
+
+        Fit the model.
+
+        >>> estimator = CoxPHSurvivalAnalysis().fit(X, y)
+
+        Estimate the survival function for the first 10 samples.
+
+        >>> surv_funcs = estimator.predict_survival_function(X.iloc[:10])
+
+        Plot the estimated survival functions.
+
+        >>> for fn in surv_funcs:
+        ...     plt.step(fn.x, fn(fn.x), where="post")
+        ...
+        >>> plt.ylim(0, 1)
+        >>> plt.show()
+        """
+        return self._predict_survival_function(self._baseline_model, self.predict(X), return_array)

sksurv/meta/__init__.py

@@ -0,0 +1,4 @@
+from .ensemble_selection import EnsembleSelection, EnsembleSelectionRegressor, MeanEstimator
+from .stacking import Stacking
+
+__all__ = ["EnsembleSelection", "EnsembleSelectionRegressor", "MeanEstimator", "Stacking"]

sksurv/meta/base.py

@@ -0,0 +1,35 @@
+# This program is free software: you can redistribute it and/or modify
+# it under the terms of the GNU General Public License as published by
+# the Free Software Foundation, either version 3 of the License, or
+# (at your option) any later version.
+#
+# This program is distributed in the hope that it will be useful,
+# but WITHOUT ANY WARRANTY; without even the implied warranty of
+# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+# GNU General Public License for more details.
+#
+# You should have received a copy of the GNU General Public License
+# along with this program.  If not, see <http://www.gnu.org/licenses/>.
+import numbers
+
+from sklearn.utils.metaestimators import _safe_split
+
+
+def _fit_and_score(est, x, y, scorer, train_index, test_index, parameters, fit_params, predict_params):
+    """Train survival model on given data and return its score on test data"""
+    X_train, y_train = _safe_split(est, x, y, train_index)
+    train_params = fit_params.copy()
+
+    # Training
+    est.set_params(**parameters)
+    est.fit(X_train, y_train, **train_params)
+
+    # Testing
+    test_predict_params = predict_params.copy()
+    X_test, y_test = _safe_split(est, x, y, test_index, train_index)
+
+    score = scorer(est, X_test, y_test, **test_predict_params)
+    if not isinstance(score, numbers.Number):
+        raise ValueError(f"scoring must return a number, got {score!s} ({type(score)}) instead.")
+
+    return score