gmcluster 0.3.0__tar.gz

gmcluster-0.3.0/LICENSE

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+BSD 3-Clause License
+
+Copyright (c) 2022, Charles A Bouman
+All rights reserved.
+
+Redistribution and use in source and binary forms, with or without
+modification, are permitted provided that the following conditions are met:
+
+1. Redistributions of source code must retain the above copyright notice, this
+   list of conditions and the following disclaimer.
+
+2. Redistributions in binary form must reproduce the above copyright notice,
+   this list of conditions and the following disclaimer in the documentation
+   and/or other materials provided with the distribution.
+
+3. Neither the name of the copyright holder nor the names of its
+   contributors may be used to endorse or promote products derived from
+   this software without specific prior written permission.
+
+THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS"
+AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
+DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT HOLDER OR CONTRIBUTORS BE LIABLE
+FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL
+DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR
+SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER
+CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY,
+OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE
+OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.

gmcluster-0.3.0/PKG-INFO

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+Metadata-Version: 2.4
+Name: gmcluster
+Version: 0.3.0
+Summary: EM Gaussian-mixture clustering with automatic MDL order selection
+Author: Charles A. Bouman, Mohammad Samin Nur Chowdhury
+License: BSD-3-Clause
+Project-URL: Homepage, https://github.com/cabouman/gmcluster
+Project-URL: Documentation, https://gmcluster.readthedocs.io
+Project-URL: Repository, https://github.com/cabouman/gmcluster
+Requires-Python: >=3.11
+Description-Content-Type: text/x-rst
+License-File: LICENSE
+Requires-Dist: numpy
+Requires-Dist: matplotlib
+Provides-Extra: test
+Requires-Dist: pytest; extra == "test"
+Provides-Extra: docs
+Requires-Dist: sphinx; extra == "docs"
+Requires-Dist: sphinx-book-theme; extra == "docs"
+Requires-Dist: sphinx-design; extra == "docs"
+Requires-Dist: sphinx-copybutton; extra == "docs"
+Requires-Dist: sphinxcontrib-bibtex; extra == "docs"
+Dynamic: license-file
+
+GMCluster
+=========
+
+GMCluster fits a Gaussian mixture model to data by EM and selects the number of clusters automatically using the minimum description length (MDL) criterion.
+
+It is a Python rewrite of the C package `Cluster <https://engineering.purdue.edu/~bouman/software/cluster/>`_.  Full documentation is at https://gmcluster.readthedocs.io/ .
+
+Installing
+----------
+
+Install the latest release from PyPI::
+
+    pip install gmcluster
+
+To install from source (for development), clone the repository and do an editable install::
+
+    git clone https://github.com/cabouman/gmcluster.git
+    cd gmcluster
+    pip install -e .
+
+Quick Start
+-----------
+
+The package provides one class, ``GaussianMixture``.  Fit it to your data, read the
+estimated parameters, then classify points or draw new samples.
+
+.. code-block:: python
+
+    import numpy as np
+    from gmcluster import GaussianMixture
+
+    X = np.random.default_rng(0).standard_normal((500, 2))
+
+    # Fit the mixture; "auto" selects the number of clusters by MDL.
+    gm = GaussianMixture(num_clusters="auto").fit(X)
+
+    print(gm.estimated_num_clusters)   # number of clusters found
+    print(gm.estimated_weights)        # shape (K,)
+    print(gm.estimated_means)          # shape (K, M)
+    print(gm.estimated_covariances)    # shape (K, M, M)
+
+    labels = gm.classify(X)            # most-likely cluster per point, shape (N,)
+    new_points = gm.sample(100)        # draw 100 samples from the fitted mixture
+
+Running the demos
+-----------------
+
+Validate the installation by running a demo::
+
+    cd demo
+    python demo_1.py
+
+Citation
+--------
+
+Please cite this software when you use it.  The BibTeX entry is in
+``docs/source/credits.rst`` and in the online documentation at
+https://gmcluster.readthedocs.io/ .

gmcluster-0.3.0/README.rst

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+GMCluster
+=========
+
+GMCluster fits a Gaussian mixture model to data by EM and selects the number of clusters automatically using the minimum description length (MDL) criterion.
+
+It is a Python rewrite of the C package `Cluster <https://engineering.purdue.edu/~bouman/software/cluster/>`_.  Full documentation is at https://gmcluster.readthedocs.io/ .
+
+Installing
+----------
+
+Install the latest release from PyPI::
+
+    pip install gmcluster
+
+To install from source (for development), clone the repository and do an editable install::
+
+    git clone https://github.com/cabouman/gmcluster.git
+    cd gmcluster
+    pip install -e .
+
+Quick Start
+-----------
+
+The package provides one class, ``GaussianMixture``.  Fit it to your data, read the
+estimated parameters, then classify points or draw new samples.
+
+.. code-block:: python
+
+    import numpy as np
+    from gmcluster import GaussianMixture
+
+    X = np.random.default_rng(0).standard_normal((500, 2))
+
+    # Fit the mixture; "auto" selects the number of clusters by MDL.
+    gm = GaussianMixture(num_clusters="auto").fit(X)
+
+    print(gm.estimated_num_clusters)   # number of clusters found
+    print(gm.estimated_weights)        # shape (K,)
+    print(gm.estimated_means)          # shape (K, M)
+    print(gm.estimated_covariances)    # shape (K, M, M)
+
+    labels = gm.classify(X)            # most-likely cluster per point, shape (N,)
+    new_points = gm.sample(100)        # draw 100 samples from the fitted mixture
+
+Running the demos
+-----------------
+
+Validate the installation by running a demo::
+
+    cd demo
+    python demo_1.py
+
+Citation
+--------
+
+Please cite this software when you use it.  The BibTeX entry is in
+``docs/source/credits.rst`` and in the online documentation at
+https://gmcluster.readthedocs.io/ .

gmcluster-0.3.0/gmcluster/__init__.py

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+__version__ = '0.3.0'
+from .gmcluster import GaussianMixture
+
+__all__ = ["GaussianMixture"]

gmcluster-0.3.0/gmcluster/gmcluster.py

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+# EM Clustering Library
+# Copyright (C) 2022, Charles A Bouman.
+# All rights reserved.
+
+import copy
+import logging
+
+import numpy as np
+
+logger = logging.getLogger("gmcluster")
+
+# Names guarded before fit. Reading any of these on an unfitted model raises.
+_ESTIMATE_NAMES = (
+    "estimated_num_clusters",
+    "estimated_weights",
+    "estimated_means",
+    "estimated_covariances",
+    "mdl",
+    "mdl_path",
+    "converged",
+    "num_iterations",
+)
+
+
+class GaussianMixture:
+    """Gaussian mixture model fit by EM with MDL order selection.
+
+    The constructor holds settings. fit(X) runs EM and stores the results in
+    the estimated_* attributes and the diagnostics (mdl, mdl_path, converged,
+    num_iterations). Reading any of those before fit raises.
+    """
+
+    def __init__(self, num_clusters="auto", max_clusters=20, covariance_type="full",
+                 alpha=0.1, whiten=False, verbose=False):
+        """Store settings after validating them.
+
+        Args:
+            num_clusters: "auto" to select the order by MDL, or a positive int to fix it.
+            max_clusters: positive int, the ceiling for the "auto" search.
+            covariance_type: "full" or "diagonal".
+            alpha: covariance regularization, 0 < alpha <= 1 (1 spherical, ->0 elliptical).
+            whiten: decorrelate coordinates before clustering.
+            verbose: report progress through the logging module.
+        """
+        # num_clusters: "auto" or a positive int (bool is not a count).
+        if isinstance(num_clusters, str):
+            if num_clusters != "auto":
+                raise ValueError('num_clusters must be "auto" or a positive int')
+        elif isinstance(num_clusters, bool) or not isinstance(num_clusters, (int, np.integer)):
+            raise TypeError('num_clusters must be "auto" or a positive int')
+        elif num_clusters <= 0:
+            raise ValueError("num_clusters must be a positive int")
+
+        # max_clusters: positive int.
+        if isinstance(max_clusters, bool) or not isinstance(max_clusters, (int, np.integer)):
+            raise TypeError("max_clusters must be a positive int")
+        if max_clusters <= 0:
+            raise ValueError("max_clusters must be a positive int")
+
+        # covariance_type: "full" or "diagonal" (mapped to the internal "diag").
+        if covariance_type == "full":
+            est_kind = "full"
+        elif covariance_type == "diagonal":
+            est_kind = "diag"
+        else:
+            raise ValueError('covariance_type must be "full" or "diagonal"')
+
+        # alpha: 0 < alpha <= 1.
+        if isinstance(alpha, bool) or not isinstance(alpha, (int, float, np.integer, np.floating)):
+            raise TypeError("alpha must be a number in (0, 1]")
+        if not (0 < alpha <= 1):
+            raise ValueError("alpha must satisfy 0 < alpha <= 1")
+
+        if not isinstance(whiten, bool):
+            raise TypeError("whiten must be a bool")
+        if not isinstance(verbose, bool):
+            raise TypeError("verbose must be a bool")
+
+        self.num_clusters = num_clusters
+        self.max_clusters = int(max_clusters)
+        self.covariance_type = covariance_type
+        self.alpha = float(alpha)
+        self.whiten = whiten
+        self.verbose = verbose
+
+        # Internal estimator kind ("full" or "diag") and the fitted engine mixture.
+        self._est_kind = est_kind
+        self._mixture = None
+        self._fitted = False
+
+    def __getattr__(self, name):
+        """Raise a clear error when an estimate is read before fit."""
+        # __getattr__ runs only when normal lookup fails, i.e. before fit sets these.
+        if name in _ESTIMATE_NAMES:
+            raise RuntimeError("GaussianMixture is not fitted; call fit(X) first")
+        raise AttributeError(name)
+
+    def fit(self, X):
+        """Fit the mixture to X by EM and store the estimates. Returns self.
+
+        Args:
+            X: (num_points, num_features) 2D float array of observations.
+        """
+        X = _check_data(X)
+
+        if self.num_clusters == "auto":
+            init_K = self.max_clusters
+            final_K = 0
+        else:
+            final_K = int(self.num_clusters)
+            init_K = max(self.max_clusters, final_K)
+
+        mixture, mdl_path = _fit_mixture(X, init_K, final_K, self._est_kind,
+                                         self.alpha, self.whiten, self.verbose)
+
+        self._populate(mixture, mdl_path)
+        return self
+
+    def _populate(self, mixture, mdl_path):
+        """Set the estimated_* attributes and diagnostics from an engine mixture."""
+        clusters = mixture.cluster
+        self._mixture = mixture
+        self.estimated_num_clusters = int(mixture.K)
+        self.estimated_weights = np.array([float(c.pb) for c in clusters])
+        self.estimated_means = np.array([c.mu.ravel() for c in clusters])
+        self.estimated_covariances = np.array([np.asarray(c.R) for c in clusters])
+        self.mdl = mixture.rissanen
+        self.mdl_path = mdl_path
+        self.converged = True
+        self.num_iterations = getattr(mixture, "num_iterations", None)
+        self._fitted = True
+
+    def _require_fitted(self):
+        if not self._fitted:
+            raise RuntimeError("GaussianMixture is not fitted; call fit(X) first")
+
+    def posterior(self, X):
+        """Return P(cluster | x), shape (N, K), rows summing to 1."""
+        self._require_fitted()
+        X = _check_data(X, n_features=self._mixture.M)
+        _, _ = E_step(self._mixture, X)
+        return np.array(self._mixture.pnk)
+
+    def classify(self, X):
+        """Return the most-likely cluster index per point, shape (N,)."""
+        return np.argmax(self.posterior(X), axis=1)
+
+    def log_likelihood(self, X):
+        """Return the per-point log density log p(x), shape (N,)."""
+        self._require_fitted()
+        X = _check_data(X, n_features=self._mixture.M)
+        return _class_log_likelihood(self._mixture, X).ravel()
+
+    def sample(self, num_samples=1, rng=None, with_labels=False):
+        """Draw samples from the fitted mixture.
+
+        Args:
+            num_samples: number of samples to draw.
+            rng: a numpy Generator or seed for reproducibility.
+            with_labels: also return the component index of each sample.
+
+        Returns:
+            X of shape (num_samples, M), or (X, labels) with labels of shape
+            (num_samples,) if with_labels is True.
+        """
+        self._require_fitted()
+        rng = np.random.default_rng(rng)
+        weights = self.estimated_weights
+        means = self.estimated_means
+        covs = self.estimated_covariances
+        M = means.shape[1]
+
+        labels = rng.choice(len(weights), size=num_samples, p=weights)
+        samples = np.empty((num_samples, M))
+
+        # Draw each component's points from its Gaussian via a symmetric-eigen factor.
+        for k in range(len(weights)):
+            idx = np.nonzero(labels == k)[0]
+            if idx.size == 0:
+                continue
+            eigvals, eigvecs = np.linalg.eigh(covs[k])
+            eigvals = np.clip(eigvals, 0.0, None)
+            factor = eigvecs * np.sqrt(eigvals)
+            z = rng.standard_normal((idx.size, M))
+            samples[idx] = means[k] + z @ factor.T
+
+        if with_labels:
+            return samples, labels
+        return samples
+
+    def split_clusters(self):
+        """Return a list of single-cluster GaussianMixture models, one per component.
+
+        Each returned model is fitted with one cluster (weight 1) and is usable
+        with classify, posterior, log_likelihood, and sample. Kept for use
+        alongside other segmentation packages.
+        """
+        self._require_fitted()
+        parts = []
+        for k in range(self._mixture.K):
+            single = MixtureObj()
+            single.K = 1
+            single.M = self._mixture.M
+            single.cluster = [copy.deepcopy(self._mixture.cluster[k])]
+            single.D_reg = self._mixture.D_reg
+            # Renormalize so the single component is a proper order-1 density (weight 1).
+            single = cluster_normalize(single)
+            single.rissanen = None
+            single.loglikelihood = None
+            single.num_iterations = None
+
+            child = GaussianMixture(num_clusters=1, max_clusters=self.max_clusters,
+                                    covariance_type=self.covariance_type, alpha=self.alpha,
+                                    whiten=self.whiten, verbose=self.verbose)
+            child._populate(single, mdl_path=[(1, None)])
+            child.mdl = None
+            child.converged = True
+            parts.append(child)
+        return parts
+
+    def __repr__(self):
+        if self._fitted:
+            return "GaussianMixture(clusters={}, dims={}, mdl={})".format(
+                self.estimated_num_clusters, self._mixture.M, self.mdl)
+        return "GaussianMixture(num_clusters={!r}, covariance_type={!r}, unfitted)".format(
+            self.num_clusters, self.covariance_type)
+
+
+def _check_data(X, n_features=None):
+    """Validate X as a 2D float array and return it. Raise on bad input."""
+    X = np.asarray(X)
+    if X.ndim != 2:
+        raise ValueError("X must be a 2D array of shape (num_points, num_features)")
+    if not np.issubdtype(X.dtype, np.number):
+        raise ValueError("X must be a numeric array")
+    if X.dtype != float:
+        X = X.astype(float)
+    if n_features is not None and X.shape[1] != n_features:
+        raise ValueError("X has {} features; the model was fit on {}".format(
+            X.shape[1], n_features))
+    return X
+
+
+class MixtureObj:
+    """Bag of parameters for a Gaussian mixture (the engine's mixture record)."""
+
+    def __init__(self):
+        """Initialize the fields to None."""
+        self.K = None
+        self.M = None
+        self.cluster = None
+        self.rissanen = None
+        self.loglikelihood = None
+        self.pnk = None
+        self.D_reg = None
+        self.num_iterations = None
+
+
+class ClusterObj:
+    """Bag of parameters for one cluster (the engine's cluster record)."""
+
+    def __init__(self):
+        """Initialize the fields to None."""
+        self.N = None
+        self.pb = None
+        self.mu = None
+        self.R = None
+        self.invR = None
+        self.const = None
+
+
+def _fit_mixture(data, init_K, final_K, est_kind, alpha, whiten, verbose):
+    """Run EM order selection and return (opt_mixture, mdl_path).
+
+    Starts at init_K clusters, merges down one order at a time, and either
+    returns the model at final_K (fixed order) or the minimum-MDL model
+    (final_K == 0). mdl_path lists (K, MDL) for every order visited.
+
+    Args:
+        data: (N, M) 2D float array of observations.
+        init_K: number of clusters to start from.
+        final_K: fixed final order, or 0 to select by MDL.
+        est_kind: "full" or "diag".
+        alpha: covariance regularization in (0, 1].
+        whiten: decorrelate coordinates before clustering.
+        verbose: log progress if True.
+
+    Returns:
+        (opt_mixture, mdl_path) where opt_mixture is a MixtureObj and mdl_path
+        is a list of (K, MDL) tuples in ascending K.
+    """
+    if whiten:
+        data, T, smean = decorrelate_and_normalize(data)
+
+    [N, M] = np.shape(data)
+
+    # Number of parameters per cluster.
+    if est_kind == 'full':
+        nparams_clust = 1 + M + 0.5 * M * (M + 1)
+    else:
+        nparams_clust = 1 + M + M
+
+    ndata_points = np.size(data)
+
+    # Cap the starting order to the amount of data.
+    max_params = (ndata_points + 1) / nparams_clust - 1
+    if init_K > (max_params / 2):
+        init_K = int(max_params / 2)
+        if verbose:
+            logger.warning("Too many clusters for the given data; init_K set to %d", init_K)
+
+    mtr = init_mixture(data, init_K, est_kind, alpha)
+    mtr = EM_iterate(mtr, data, est_kind, alpha)
+    if verbose:
+        logger.info("K: %d  MDL: %g", mtr.K, mtr.rissanen)
+
+    mixture = [None] * (mtr.K - max(1, final_K) + 1)
+    mixture[mtr.K - max(1, final_K)] = copy.deepcopy(mtr)
+    while mtr.K > max(1, final_K):
+        mtr = MDL_reduce_order(mtr, False)
+        mtr = EM_iterate(mtr, data, est_kind, alpha)
+        if verbose:
+            logger.info("K: %d  MDL: %g", mtr.K, mtr.rissanen)
+        mixture[mtr.K - max(1, final_K)] = copy.deepcopy(mtr)
+
+    if final_K > 0:
+        opt_mixture = mixture[0]
+    else:
+        min_riss = mixture[-1].rissanen
+        opt_l = len(mixture) - 1
+        for l in range(len(mixture) - 2, -1, -1):
+            if mixture[l].rissanen < min_riss:
+                min_riss = mixture[l].rissanen
+                opt_l = l
+        opt_mixture = copy.deepcopy(mixture[opt_l])
+
+    # MDL for every order visited, in ascending K.
+    mdl_path = [(m.K, m.rissanen) for m in mixture if m is not None]
+
+    if whiten:
+        opt_mixture = transform_back_to_original_coordinates(opt_mixture, T, smean)
+
+    return opt_mixture, mdl_path
+
+
+def _class_log_likelihood(mixture, data):
+    """Return per-point log density log p(x) as an (N, 1) array."""
+    [N, M] = np.shape(data)
+    pnk = np.zeros((N, mixture.K))
+    pb_mat = np.zeros((1, mixture.K))
+
+    for k in range(mixture.K):
+        cluster_obj = mixture.cluster[k]
+        Y1 = data - cluster_obj.mu.T
+        Y2 = -0.5 * Y1 @ cluster_obj.invR
+        pnk[:, k] = np.sum(Y1 * Y2, axis=1) + mixture.cluster[k].const
+        pb_mat[0, k] = cluster_obj.pb
+
+    llmax = np.expand_dims(np.max(pnk, axis=1), axis=1)
+    pnk = np.exp(pnk - llmax)
+    pnk = pnk * pb_mat
+    ss = np.expand_dims(np.sum(pnk, axis=1), axis=1)
+    ll = np.log(ss) + llmax
+
+    return ll
+
+
+def cluster_normalize(mixture):
+    """Normalize cluster weights to sum to 1 and refresh invR and const.
+
+    Args:
+        mixture(class): a Gaussian mixture record.
+
+    Returns:
+        class object: the mixture with normalized weights and updated invR/const.
+        """
+    cluster = mixture.cluster
+
+    s = 0
+    for k in range(mixture.K):
+        cluster_obj = cluster[k]
+        s = s + np.sum(cluster_obj.pb)
+
+    for k in range(mixture.K):
+        cluster_obj = cluster[k]
+        cluster_obj.pb = cluster_obj.pb / s
+        cluster_obj.invR = np.linalg.inv(cluster_obj.R)
+        cluster_obj.const = -(mixture.M * np.log(2 * np.pi) + np.log(np.linalg.det(cluster_obj.R))) / 2
+        cluster[k] = cluster_obj
+    mixture.cluster = cluster
+
+    return mixture
+
+
+def ridge_regression(R, est_kind, alpha, D_reg=None):
+    """Regularize and constrain a class covariance matrix.
+
+    Args:
+        R(ndarray): the initial class covariance matrix
+        est_kind(str):
+            - est_kind = 'diag' constrains the class covariance matrices to be diagonal
+            - est_kind = 'full' allows the class covariance matrices to be full matrices
+        alpha(float): a constant (0 < alpha <= 1) that controls the shape of the cluster by regularizing the covariance
+            matrices. alpha = 1 gives the cluster a spherical shape and alpha = 0 gives the cluster an elliptical shape.
+            The default value is 0.1
+        D_reg(ndarray,optional): a diagonal matrix used as the regularization term in the class covariance matrix update
+            equation. The function will compute it from the given R if set to default
+
+    Returns:
+        ndarray: the regularized and constrained class covariance matrix
+        tuple/ndarray: (R, D_reg) or just R (if return_D_reg is false), where
+            - R(ndarray): the regularized and constrained class covariance matrix
+            - D_reg(ndarray): diagonal matrix used as the regularization term
+        """
+    if est_kind == 'diag':
+        R = np.diag(np.diag(R))
+
+    if D_reg is None:
+        return_D_reg = True
+        D_reg = np.mean(np.diag(R)) * np.eye(R.shape[0])
+    else:
+        return_D_reg = False
+
+    # Ensure that the alpha of R is <= alpha
+    R = (1.0 - (alpha ** 2)) * R + (alpha ** 2) * D_reg
+
+    if return_D_reg:
+        return R, D_reg
+    else:
+        return R
+
+
+def init_mixture(data, K, est_kind, alpha):
+    """Initialize a Gaussian mixture record of a given order.
+
+    Args:
+        data(ndarray): an N x M 2D array of observation vectors with each row being an M-dimensional observation vector,
+            totally N observations
+        K(int): order of the mixture
+        est_kind(str):
+            - est_kind = 'diag' constrains the class covariance matrices to be diagonal
+            - est_kind = 'full' allows the class covariance matrices to be full matrices
+        alpha(float): a constant (0 < alpha <= 1) that controls the shape of the cluster by regularizing the covariance
+            matrices. alpha = 1 gives the cluster a spherical shape and alpha = 0 gives the cluster an elliptical shape.
+            The default value is 0.1
+
+    Returns:
+        class object: a structure containing the initial parameter values for the Gaussian mixture of a given order
+        """
+    [N, M] = np.shape(data)
+
+    mixture = MixtureObj()
+    mixture.K = K
+    mixture.M = M
+
+    # Compute sample covariance for entire data set
+    R = (N - 1) * np.cov(data, rowvar=False) / N
+
+    # Regularize the covariance matrix and impose constrains
+    R, D_reg = ridge_regression(R, est_kind, alpha)
+
+    # Allocate and array of K clusters
+    cluster = [None] * K
+
+    # Initalize first element of cluster
+    cluster_obj = ClusterObj()
+    cluster_obj.N = 0
+    cluster_obj.pb = 1 / K
+    cluster_obj.mu = np.expand_dims(data[0, :], 1)
+    cluster_obj.R = R
+    cluster[0] = cluster_obj
+
+    # Initialize remaining clusters in array
+    if K > 1:
+        period = (N - 1) / (K - 1)
+        for k in range(1, K):
+            cluster_obj = ClusterObj()
+            cluster_obj.N = 0
+            cluster_obj.pb = 1 / K
+            cluster_obj.mu = np.expand_dims(data[int((k - 1) * period + 1), :], 1)
+            cluster_obj.R = R
+            cluster[k] = cluster_obj
+
+    mixture.cluster = cluster
+    mixture.D_reg = D_reg
+    mixture = cluster_normalize(mixture)
+
+    return mixture
+
+
+def E_step(mixture, data):
+    """Perform the E-step: compute responsibilities pnk and the log-likelihood.
+
+    Args:
+        mixture(class): a structure representing the parameters for a Gaussian mixture of a given order
+        data(ndarray): an N x M 2D array of observation vectors with each row being an M-dimensional observation vector,
+            totally N observations
+    Returns:
+        tuple: (mixture, likelihood), where
+            - mixture(class): a structure containing the Gaussian mixture parameters for the same order with updated pnk
+            - likelihood(float): log ( prob(Y=y|theta) )
+        """
+    [N, M] = np.shape(data)
+    pnk = np.zeros((N, mixture.K))
+    pb_mat = np.zeros((1, mixture.K))
+
+    for k in range(mixture.K):
+        cluster_obj = mixture.cluster[k]
+        Y1 = data - cluster_obj.mu.T
+        Y2 = -0.5 * Y1 @ cluster_obj.invR
+        pnk[:, k] = np.sum(Y1 * Y2, axis=1) + cluster_obj.const
+        pb_mat[0, k] = cluster_obj.pb
+
+    llmax = np.expand_dims(np.max(pnk, axis=1), axis=1)
+    pnk = np.exp(pnk - llmax)
+    pnk = pnk * pb_mat
+    ss = np.expand_dims(np.sum(pnk, axis=1), axis=1)
+    likelihood = np.sum(np.log(ss) + llmax)
+    pnk = pnk / ss
+    mixture.pnk = pnk
+
+    return mixture, likelihood
+
+
+def M_step(mixture, data, est_kind, alpha):
+    """Perform the M-step: update each cluster's weight, mean, and covariance.
+
+    Args:
+        mixture(class): a structure representing the parameters for a Gaussian mixture of a given order
+        data(ndarray): an N x M 2D array of observation vectors with each row being an M-dimensional observation vector,
+            totally N observations
+        est_kind(str):
+            - est_kind = 'diag' constrains the class covariance matrices to be diagonal
+            - est_kind = 'full' allows the class covariance matrices to be full matrices
+        alpha(float): a constant (0 < alpha <= 1) that controls the shape of the cluster by regularizing the covariance
+            matrices. alpha = 1 gives the cluster a spherical shape and alpha = 0 gives the cluster an elliptical shape.
+            The default value is 0.1
+
+    Returns:
+        class object: a structure containing the parameters for a Gaussian mixture of the same order with updated
+        cluster parameters
+        """
+    for k in range(mixture.K):
+        cluster_obj = mixture.cluster[k]
+        cluster_obj.N = np.sum(mixture.pnk[:, k])
+        cluster_obj.pb = cluster_obj.N
+        cluster_obj.mu = np.expand_dims((data.T @ mixture.pnk[:, k]) / cluster_obj.N, axis=1)
+
+        # Weighted covariance about the cluster mean
+        w = mixture.pnk[:, k]
+        Xc = data - cluster_obj.mu.T
+        R = (Xc.T * w) @ Xc / cluster_obj.N
+
+        # Regularize the covariance matrix and impose constrains
+        R = ridge_regression(R, est_kind, alpha, mixture.D_reg)
+
+        cluster_obj.R = R
+        mixture.cluster[k] = cluster_obj
+
+    mixture = cluster_normalize(mixture)
+
+    return mixture
+
+
+def EM_iterate(mixture, data, est_kind, alpha):
+    """Run EM to convergence at a fixed order K.
+
+    Records the number of EM iterations on mixture.num_iterations. The counter
+    is bookkeeping only; the update equations and the convergence test are
+    unchanged.
+
+    Args:
+        mixture(class): a structure representing the parameters for a Gaussian mixture of a given order
+        data(ndarray): an N x M 2D array of observation vectors with each row being an M-dimensional observation vector,
+            totally N observations
+        est_kind(str):
+            - est_kind = 'diag' constrains the class covariance matrices to be diagonal
+            - est_kind = 'full' allows the class covariance matrices to be full matrices
+        alpha(float): a constant (0 < alpha <= 1) that controls the shape of the cluster by regularizing the covariance
+            matrices. alpha = 1 gives the cluster a spherical shape and alpha = 0 gives the cluster an elliptical shape.
+            The default value is 0.1
+
+    Returns:
+        class object: a structure containing the parameters for the converged Gaussian mixture of order K
+        """
+    [N, M] = np.shape(data)
+
+    if est_kind == 'full':
+        Lc = 1 + M + 0.5 * M * (M + 1)
+    else:
+        Lc = 1 + M + M
+
+    epsilon = 0.01 * Lc * np.log(N * M)
+    [mixture, ll_new] = E_step(mixture, data)
+
+    n_iter = 0
+    while True:
+        ll_old = ll_new
+        mixture = M_step(mixture, data, est_kind, alpha)
+        [mixture, ll_new] = E_step(mixture, data)
+        n_iter += 1
+        if (ll_new - ll_old) <= epsilon:
+            break
+
+    mixture.rissanen = -ll_new + 0.5 * (mixture.K * Lc - 1) * np.log(N * M)
+    mixture.loglikelihood = ll_new
+    mixture.num_iterations = n_iter
+
+    return mixture
+
+
+def add_cluster(cluster1, cluster2):
+    """Combine two clusters into one.
+
+    Args:
+        cluster1(class): the first cluster
+        cluster2(class): the second cluster
+
+    Returns:
+        class object: the combined cluster
+        """
+    wt1 = cluster1.N / (cluster1.N + cluster2.N)
+    wt2 = 1 - wt1
+    M = np.shape(cluster1.mu)[0]
+
+    cluster3 = ClusterObj()
+    cluster3.mu = wt1 * cluster1.mu + wt2 * cluster2.mu
+    cluster3.R = wt1 * (cluster1.R + (cluster3.mu - cluster1.mu) @ (cluster3.mu - cluster1.mu).T) \
+                 + wt2 * (cluster2.R + (cluster3.mu - cluster2.mu) @ (cluster3.mu - cluster2.mu).T)
+    cluster3.invR = np.linalg.inv(cluster3.R)
+    cluster3.pb = cluster1.pb + cluster2.pb
+    cluster3.N = cluster1.N + cluster2.N
+    cluster3.const = -(M * np.log(2 * np.pi) + np.log(np.linalg.det(cluster3.R))) / 2
+
+    return cluster3
+
+
+def distance(cluster1, cluster2):
+    """Return the merge distance between two clusters.
+
+    Args:
+        cluster1(class): the first cluster
+        cluster2(class): the second cluster
+
+    Returns:
+        float: distance between the two clusters
+        """
+    cluster3 = add_cluster(cluster1, cluster2)
+    dist = cluster1.N * cluster1.const + cluster2.N * cluster2.const - cluster3.N * cluster3.const
+
+    return dist
+
+
+def MDL_reduce_order(mixture, verbose):
+    """Reduce the order by one by merging the two closest clusters.
+
+    Args:
+        mixture(class): a structure containing the parameters for the converged Gaussian mixture of a given order K
+        verbose(bool): true/false, return clustering information if true
+
+    Returns:
+        class object: a structure containing the parameters for the converged Gaussian mixture of order (K-1)
+        """
+    K = mixture.K
+
+    min_dist = np.inf
+    for k1 in range(K):
+        for k2 in range(k1 + 1, K):
+            dist = distance(mixture.cluster[k1], mixture.cluster[k2])
+            if (k1 == 0 and k2 == 1) or (dist < min_dist):
+                mink1 = k1
+                mink2 = k2
+                min_dist = dist
+    if verbose:
+        logger.info("combining cluster %d and %d", mink1, mink2)
+
+    mixture.cluster[mink1] = add_cluster(mixture.cluster[mink1], mixture.cluster[mink2])
+    mixture.cluster[mink2: (K - 1)] = mixture.cluster[(mink2 + 1): K]
+    mixture.cluster = mixture.cluster[:(K - 1)]
+    mixture.K = K - 1
+    mixture = cluster_normalize(mixture)
+
+    return mixture
+
+
+def decorrelate_and_normalize(data):
+    """Decorrelate and normalize data, returning the transform for inversion.
+
+    Args:
+        data(ndarray): an N x M 2D array of observation vectors with each row being an M-dimensional observation vector,
+            totally N observations
+
+    Returns:
+        tuple: (data, T, smean), where
+            - data(ndarray): decorrelated and normalized observation vectors
+            - T(ndarray): transformation 2D array
+            - smean(ndarray): mean values
+        """
+    # Decorrelate and normalize the data
+    smean = np.mean(data, axis=0)
+    scov = np.cov(data, rowvar=False)
+    D, E = np.linalg.eig(scov)
+    D = np.diag(D)
+    T = E @ np.linalg.inv(np.sqrt(D))
+    data = (data - (np.diag(smean) @ np.ones((np.shape(data)[1], np.shape(data)[0]))).T) @ T
+
+    return data, T, smean
+
+
+def transform_back_to_original_coordinates(opt_mixture, T, smean):
+    """Map mixture parameters from whitened coordinates back to the original ones.
+
+    Args:
+        opt_mixture(class): a structure representing the optimum Gaussian mixture parameters corresponding to
+            decorrelated coordinates
+        T(ndarray): transformation 2D array
+        smean(ndarray): mean values
+
+    Returns:
+        class object: a structure representing the optimum Gaussian mixture parameters corresponding to original
+        coordinates
+        """
+    invT = np.linalg.inv(T)
+    # Transform the parameters back to original coordinates
+    for k in range(opt_mixture.K):
+        opt_mixture.cluster[k].mu = (opt_mixture.cluster[k].mu.T @ invT + smean).T
+        opt_mixture.cluster[k].R = invT.T @ opt_mixture.cluster[k].R @ invT
+        opt_mixture.cluster[k].invR = T @ opt_mixture.cluster[k].invR @ T.T
+        opt_mixture.cluster[k].const = opt_mixture.cluster[k].const - np.log(
+            np.linalg.det(invT.T @ invT)) / 2
+
+    return opt_mixture

gmcluster-0.3.0/gmcluster.egg-info/PKG-INFO

@@ -0,0 +1,82 @@
+Metadata-Version: 2.4
+Name: gmcluster
+Version: 0.3.0
+Summary: EM Gaussian-mixture clustering with automatic MDL order selection
+Author: Charles A. Bouman, Mohammad Samin Nur Chowdhury
+License: BSD-3-Clause
+Project-URL: Homepage, https://github.com/cabouman/gmcluster
+Project-URL: Documentation, https://gmcluster.readthedocs.io
+Project-URL: Repository, https://github.com/cabouman/gmcluster
+Requires-Python: >=3.11
+Description-Content-Type: text/x-rst
+License-File: LICENSE
+Requires-Dist: numpy
+Requires-Dist: matplotlib
+Provides-Extra: test
+Requires-Dist: pytest; extra == "test"
+Provides-Extra: docs
+Requires-Dist: sphinx; extra == "docs"
+Requires-Dist: sphinx-book-theme; extra == "docs"
+Requires-Dist: sphinx-design; extra == "docs"
+Requires-Dist: sphinx-copybutton; extra == "docs"
+Requires-Dist: sphinxcontrib-bibtex; extra == "docs"
+Dynamic: license-file
+
+GMCluster
+=========
+
+GMCluster fits a Gaussian mixture model to data by EM and selects the number of clusters automatically using the minimum description length (MDL) criterion.
+
+It is a Python rewrite of the C package `Cluster <https://engineering.purdue.edu/~bouman/software/cluster/>`_.  Full documentation is at https://gmcluster.readthedocs.io/ .
+
+Installing
+----------
+
+Install the latest release from PyPI::
+
+    pip install gmcluster
+
+To install from source (for development), clone the repository and do an editable install::
+
+    git clone https://github.com/cabouman/gmcluster.git
+    cd gmcluster
+    pip install -e .
+
+Quick Start
+-----------
+
+The package provides one class, ``GaussianMixture``.  Fit it to your data, read the
+estimated parameters, then classify points or draw new samples.
+
+.. code-block:: python
+
+    import numpy as np
+    from gmcluster import GaussianMixture
+
+    X = np.random.default_rng(0).standard_normal((500, 2))
+
+    # Fit the mixture; "auto" selects the number of clusters by MDL.
+    gm = GaussianMixture(num_clusters="auto").fit(X)
+
+    print(gm.estimated_num_clusters)   # number of clusters found
+    print(gm.estimated_weights)        # shape (K,)
+    print(gm.estimated_means)          # shape (K, M)
+    print(gm.estimated_covariances)    # shape (K, M, M)
+
+    labels = gm.classify(X)            # most-likely cluster per point, shape (N,)
+    new_points = gm.sample(100)        # draw 100 samples from the fitted mixture
+
+Running the demos
+-----------------
+
+Validate the installation by running a demo::
+
+    cd demo
+    python demo_1.py
+
+Citation
+--------
+
+Please cite this software when you use it.  The BibTeX entry is in
+``docs/source/credits.rst`` and in the online documentation at
+https://gmcluster.readthedocs.io/ .

gmcluster-0.3.0/gmcluster.egg-info/SOURCES.txt

@@ -0,0 +1,15 @@
+LICENSE
+README.rst
+pyproject.toml
+gmcluster/__init__.py
+gmcluster/gmcluster.py
+gmcluster.egg-info/PKG-INFO
+gmcluster.egg-info/SOURCES.txt
+gmcluster.egg-info/dependency_links.txt
+gmcluster.egg-info/requires.txt
+gmcluster.egg-info/top_level.txt
+tests/test_api.py
+tests/test_equivalence.py
+tests/test_order_selection.py
+tests/test_recover_params.py
+tests/test_smoke.py

gmcluster-0.3.0/gmcluster.egg-info/dependency_links.txt

@@ -0,0 +1 @@
+

gmcluster-0.3.0/gmcluster.egg-info/requires.txt

@@ -0,0 +1,12 @@
+numpy
+matplotlib
+
+[docs]
+sphinx
+sphinx-book-theme
+sphinx-design
+sphinx-copybutton
+sphinxcontrib-bibtex
+
+[test]
+pytest

gmcluster-0.3.0/gmcluster.egg-info/top_level.txt

@@ -0,0 +1 @@
+gmcluster

gmcluster-0.3.0/pyproject.toml

@@ -0,0 +1,34 @@
+[build-system]
+requires = ["setuptools>=64"]
+build-backend = "setuptools.build_meta"
+
+[project]
+name = "gmcluster"
+description = "EM Gaussian-mixture clustering with automatic MDL order selection"
+readme = "README.rst"
+license = { text = "BSD-3-Clause" }
+requires-python = ">=3.11"
+dynamic = ["version"]
+authors = [
+    { name = "Charles A. Bouman" },
+    { name = "Mohammad Samin Nur Chowdhury" },
+]
+dependencies = [
+    "numpy",
+    "matplotlib",
+]
+
+[project.optional-dependencies]
+test = ["pytest"]
+docs = ["sphinx", "sphinx-book-theme", "sphinx-design", "sphinx-copybutton", "sphinxcontrib-bibtex"]
+
+[project.urls]
+Homepage = "https://github.com/cabouman/gmcluster"
+Documentation = "https://gmcluster.readthedocs.io"
+Repository = "https://github.com/cabouman/gmcluster"
+
+[tool.setuptools]
+packages = ["gmcluster"]
+
+[tool.setuptools.dynamic]
+version = { attr = "gmcluster.__version__" }

gmcluster-0.3.0/setup.cfg

@@ -0,0 +1,4 @@
+[egg_info]
+tag_build = 
+tag_date = 0
+

gmcluster-0.3.0/tests/test_api.py

@@ -0,0 +1,115 @@
+# Behavior of the GaussianMixture public surface. Small and fast.
+
+import numpy as np
+import pytest
+
+from gmcluster import GaussianMixture
+
+
+def make_data(seed=0, n=200):
+    rng = np.random.default_rng(seed)
+    centers = np.array([[4.0, 4.0], [-4.0, -4.0], [4.0, -4.0]])
+    return np.vstack([rng.standard_normal((n, 2)) + c for c in centers])
+
+
+def fitted_model():
+    return GaussianMixture(num_clusters="auto", max_clusters=6).fit(make_data())
+
+
+def test_posterior_rows_sum_to_one():
+    gm = fitted_model()
+    X = make_data(seed=1, n=50)
+    P = gm.posterior(X)
+    assert P.shape == (X.shape[0], gm.estimated_num_clusters)
+    assert np.allclose(P.sum(axis=1), 1.0)
+
+
+def test_classify_is_argmax_of_posterior():
+    gm = fitted_model()
+    X = make_data(seed=1, n=50)
+    assert np.array_equal(gm.classify(X), np.argmax(gm.posterior(X), axis=1))
+
+
+def test_log_likelihood_shape():
+    gm = fitted_model()
+    X = make_data(seed=1, n=50)
+    ll = gm.log_likelihood(X)
+    assert ll.shape == (X.shape[0],)
+
+
+def test_sample_shapes_and_reproducibility():
+    gm = fitted_model()
+    M = gm.estimated_means.shape[1]
+
+    X = gm.sample(30, rng=np.random.default_rng(7))
+    assert X.shape == (30, M)
+
+    X2, labels = gm.sample(30, rng=np.random.default_rng(7), with_labels=True)
+    assert X2.shape == (30, M)
+    assert labels.shape == (30,)
+    # Same seed reproduces the same draw.
+    assert np.array_equal(X, X2)
+    assert np.all((labels >= 0) & (labels < gm.estimated_num_clusters))
+
+
+def test_split_clusters():
+    gm = fitted_model()
+    parts = gm.split_clusters()
+    assert len(parts) == gm.estimated_num_clusters
+    X = make_data(seed=2, n=20)
+    for part in parts:
+        assert part.estimated_num_clusters == 1
+        assert np.isclose(part.estimated_weights.sum(), 1.0)
+        # Each split model is usable as its own density.
+        assert part.log_likelihood(X).shape == (X.shape[0],)
+        assert part.classify(X).shape == (X.shape[0],)
+
+
+def test_estimate_shapes_and_weights():
+    gm = fitted_model()
+    K = gm.estimated_num_clusters
+    M = gm.estimated_means.shape[1]
+    assert gm.estimated_means.shape == (K, M)
+    assert gm.estimated_covariances.shape == (K, M, M)
+    assert gm.estimated_weights.shape == (K,)
+    assert np.isclose(gm.estimated_weights.sum(), 1.0)
+
+
+def test_access_before_fit_raises():
+    gm = GaussianMixture()
+    for name in ["estimated_num_clusters", "estimated_weights", "estimated_means",
+                 "estimated_covariances", "mdl", "mdl_path", "converged", "num_iterations"]:
+        with pytest.raises(RuntimeError):
+            getattr(gm, name)
+
+
+def test_query_before_fit_raises():
+    gm = GaussianMixture()
+    with pytest.raises(RuntimeError):
+        gm.posterior(make_data(n=5))
+
+
+@pytest.mark.parametrize("kwargs", [
+    {"num_clusters": 0},
+    {"num_clusters": -3},
+    {"alpha": 2},
+    {"alpha": 0},
+    {"covariance_type": "bogus"},
+    {"max_clusters": 0},
+])
+def test_bad_constructor_args_raise(kwargs):
+    with pytest.raises((ValueError, TypeError)):
+        GaussianMixture(**kwargs)
+
+
+def test_non_2d_input_raises():
+    gm = GaussianMixture(max_clusters=4)
+    with pytest.raises(ValueError):
+        gm.fit(np.zeros(10))
+
+
+def test_repr():
+    gm = GaussianMixture()
+    assert "unfitted" in repr(gm)
+    gm = fitted_model()
+    assert "clusters=" in repr(gm) and "dims=" in repr(gm)

gmcluster-0.3.0/tests/test_equivalence.py

@@ -0,0 +1,58 @@
+# In-process equivalence: the GaussianMixture wrapper reproduces the private
+# EM engine exactly. This proves the wrapper does not alter the math.
+
+import numpy as np
+import pytest
+
+from gmcluster import GaussianMixture
+from gmcluster.gmcluster import _fit_mixture
+
+ATOL = 1e-12
+
+
+def make_data(seed=0, n=300):
+    """Seeded three-cluster 2D data."""
+    rng = np.random.default_rng(seed)
+    centers = np.array([[4.0, 4.0], [-4.0, -4.0], [4.0, -4.0]])
+    parts = [rng.standard_normal((n, 2)) + c for c in centers]
+    return np.vstack(parts)
+
+
+def engine_params(mixture):
+    """Pull (K, weights, means, covariances, mdl) out of an engine mixture."""
+    K = int(mixture.K)
+    weights = np.array([float(c.pb) for c in mixture.cluster])
+    means = np.array([c.mu.ravel() for c in mixture.cluster])
+    covs = np.array([np.asarray(c.R) for c in mixture.cluster])
+    return K, weights, means, covs, mixture.rissanen
+
+
+@pytest.mark.parametrize("covariance_type,est_kind", [("full", "full"), ("diagonal", "diag")])
+@pytest.mark.parametrize("num_clusters", ["auto", 2])
+@pytest.mark.parametrize("whiten", [False, True])
+def test_wrapper_matches_engine(covariance_type, est_kind, num_clusters, whiten):
+    X = make_data()
+    max_clusters = 6
+    alpha = 0.1
+
+    # Wrapper.
+    gm = GaussianMixture(num_clusters=num_clusters, max_clusters=max_clusters,
+                         covariance_type=covariance_type, alpha=alpha,
+                         whiten=whiten, verbose=False).fit(X)
+
+    # Private engine with the same init_K / final_K mapping fit() uses.
+    if num_clusters == "auto":
+        init_K, final_K = max_clusters, 0
+    else:
+        final_K = int(num_clusters)
+        init_K = max(max_clusters, final_K)
+    mixture, mdl_path = _fit_mixture(X, init_K, final_K, est_kind, alpha, whiten, False)
+
+    K, weights, means, covs, mdl = engine_params(mixture)
+
+    assert gm.estimated_num_clusters == K
+    assert np.allclose(gm.estimated_weights, weights, atol=ATOL)
+    assert np.allclose(gm.estimated_means, means, atol=ATOL)
+    assert np.allclose(gm.estimated_covariances, covs, atol=ATOL)
+    assert np.allclose(gm.mdl, mdl, atol=ATOL)
+    assert gm.mdl_path == mdl_path

gmcluster-0.3.0/tests/test_order_selection.py

@@ -0,0 +1,26 @@
+# MDL order selection finds 3 clusters; a fixed order returns exactly that many.
+
+import numpy as np
+
+from gmcluster import GaussianMixture
+
+
+def make_data(seed=0, n_per=300):
+    """Three well-separated 2-D Gaussians."""
+    rng = np.random.default_rng(seed)
+    centers = np.array([[6.0, 6.0], [-6.0, -6.0], [6.0, -6.0]])
+    return np.vstack([rng.standard_normal((n_per, 2)) + c for c in centers])
+
+
+def test_auto_selects_three():
+    data = make_data(seed=0)
+    gm = GaussianMixture(num_clusters="auto", max_clusters=6).fit(data)
+    assert gm.estimated_num_clusters == 3
+
+
+def test_fixed_order_returns_two():
+    data = make_data(seed=0)
+    gm = GaussianMixture(num_clusters=2).fit(data)
+    assert gm.estimated_num_clusters == 2
+    assert gm.estimated_means.shape[0] == 2
+    assert gm.estimated_weights.shape[0] == 2

gmcluster-0.3.0/tests/test_recover_params.py

@@ -0,0 +1,31 @@
+# The fit recovers the true cluster means on well-separated data.
+
+import numpy as np
+
+from gmcluster import GaussianMixture
+
+
+def make_mixture(seed=0, n_per=300):
+    """Three well-separated 2-D Gaussians. Returns (data, true_means)."""
+    rng = np.random.default_rng(seed)
+    true_means = np.array([[6.0, 6.0], [-6.0, -6.0], [6.0, -6.0]])
+    data = np.vstack([rng.standard_normal((n_per, 2)) + m for m in true_means])
+    return data, true_means
+
+
+def match_nearest(true_means, estimated_means):
+    """For each true mean, the distance to its nearest estimated mean."""
+    dists = []
+    for t in true_means:
+        d = np.linalg.norm(estimated_means - t, axis=1)
+        dists.append(d.min())
+    return np.array(dists)
+
+
+def test_recover_means():
+    data, true_means = make_mixture(seed=0)
+    gm = GaussianMixture(num_clusters="auto", max_clusters=6).fit(data)
+
+    assert gm.estimated_num_clusters == 3
+    # Every true center has an estimated center close to it.
+    assert np.all(match_nearest(true_means, gm.estimated_means) < 0.5)

gmcluster-0.3.0/tests/test_smoke.py

@@ -0,0 +1,17 @@
+# Smoke test: a tiny fit returns a well-formed model.
+
+import numpy as np
+from gmcluster import GaussianMixture
+
+
+def test_smoke_tiny_fit():
+    np.random.seed(0)
+    a = np.random.randn(200, 2) + np.array([5.0, 5.0])
+    b = np.random.randn(200, 2) + np.array([-5.0, -5.0])
+    data = np.vstack([a, b])
+
+    gm = GaussianMixture(num_clusters="auto", max_clusters=5, verbose=False).fit(data)
+
+    assert isinstance(gm.estimated_num_clusters, int)
+    assert gm.estimated_num_clusters >= 1
+    assert gm.estimated_weights.shape == (gm.estimated_num_clusters,)