# Source code for gtda.homology.simplicial

```
"""Persistent homology on point clouds or finite metric spaces."""
# License: GNU AGPLv3
from numbers import Real, Integral
from types import FunctionType
import numpy as np
from joblib import Parallel, delayed
from pyflagser import flagser_weighted
from scipy.sparse import coo_matrix
from scipy.spatial import Delaunay
from sklearn.base import BaseEstimator, TransformerMixin
from sklearn.metrics.pairwise import pairwise_distances
from sklearn.utils.validation import check_is_fitted
from ._utils import _postprocess_diagrams
from ..base import PlotterMixin
from ..externals.python import ripser, SparseRipsComplex, CechComplex
from ..plotting import plot_diagram
from ..utils._docs import adapt_fit_transform_docs
from ..utils.intervals import Interval
from ..utils.validation import validate_params, check_point_clouds
_AVAILABLE_RIPS_WEIGHTS = {
"DTM": {
"p": {"type": Real, "in": [1, 2, np.inf]},
"r": {"type": Real, "in": Interval(0, np.inf, closed="right")},
"n_neighbors": {"type": Integral,
"in": Interval(1, np.inf, closed="left")}
},
"general": {
"p": {"type": Real, "in": [1, 2, np.inf]},
}
}
[docs]@adapt_fit_transform_docs
class VietorisRipsPersistence(BaseEstimator, TransformerMixin, PlotterMixin):
""":ref:`Persistence diagrams <persistence_diagram>` resulting from
:ref:`Vietoris–Rips filtrations
<vietoris-rips_complex_and_vietoris-rips_persistence>`.
Given a :ref:`point cloud <distance_matrices_and_point_clouds>` in
Euclidean space, an abstract :ref:`metric space
<distance_matrices_and_point_clouds>` encoded by a distance matrix, or the
adjacency matrix of a weighted undirected graph, information about the
appearance and disappearance of topological features (technically,
:ref:`homology classes <homology_and_cohomology>`) of various dimensions
and at different scales is summarised in the corresponding persistence
diagram.
**Important note**:
- Persistence diagrams produced by this class must be interpreted with
care due to the presence of padding triples which carry no
information. See :meth:`transform` for additional information.
Parameters
----------
metric : string or callable, optional, default: ``"euclidean"``
If set to ``"precomputed"``, input data is to be interpreted as a
collection of distance matrices or of adjacency matrices of weighted
undirected graphs. Otherwise, input data is to be interpreted as a
collection of point clouds (i.e. feature arrays), and `metric`
determines a rule with which to calculate distances between pairs of
points (i.e. row vectors). If `metric` is a string, it must be one of
the options allowed by :func:`scipy.spatial.distance.pdist` for its
metric parameter, or a metric listed in
:obj:`sklearn.pairwise.PAIRWISE_DISTANCE_FUNCTIONS`, including
``"euclidean"``, ``"manhattan"`` or ``"cosine"``. If `metric` is a
callable, it should take pairs of vectors (1D arrays) as input and, for
each two vectors in a pair, it should return a scalar indicating the
distance/dissimilarity between them.
metric_params : dict, optional, default: ``{}``
Additional parameters to be passed to the distance function.
homology_dimensions : list or tuple, optional, default: ``(0, 1)``
Dimensions (non-negative integers) of the topological features to be
detected.
coeff : int prime, optional, default: ``2``
Compute homology with coefficients in the prime field
:math:`\\mathbb{F}_p = \\{ 0, \\ldots, p - 1 \\}` where :math:`p`
equals `coeff`.
collapse_edges : bool, optional, default: ``False``
Whether to run the edge collapse algorithm in [2]_ prior to the
persistent homology computation (see the Notes). Can reduce the runtime
dramatically when the data or the maximum homology dimensions are
large.
max_edge_length : float, optional, default: ``numpy.inf``
Maximum value of the Vietoris–Rips filtration parameter. Points whose
distance is greater than this value will never be connected by an edge,
and topological features at scales larger than this value will not be
detected.
infinity_values : float or None, default: ``None``
Which death value to assign to features which are still alive at
filtration value `max_edge_length`. ``None`` means that this death
value is declared to be equal to `max_edge_length`.
reduced_homology : bool, optional, default: ``True``
If ``True``, the earliest-born triple in homology dimension 0 which has
infinite death is discarded from each diagram computed in
:meth:`transform`.
n_jobs : int or None, optional, default: ``None``
The number of jobs to use for the computation. ``None`` means 1 unless
in a :obj:`joblib.parallel_backend` context. ``-1`` means using all
processors.
Attributes
----------
infinity_values_ : float
Effective death value to assign to features which are still alive at
filtration value `max_edge_length`.
See also
--------
WeightedRipsPersistence, FlagserPersistence, SparseRipsPersistence,
WeakAlphaPersistence, EuclideanCechPersistence, ConsistentRescaling,
ConsecutiveRescaling
Notes
-----
`Ripser <https://github.com/Ripser/ripser>`_ [1]_ is used as a C++ backend
for computing Vietoris–Rips persistent homology. Python bindings were
modified for performance from the `ripser.py
<https://github.com/scikit-tda/ripser.py>`_ package.
`GUDHI <https://github.com/GUDHI/gudhi-devel>`_ is used as a C++ backend
for the edge collapse algorithm described in [2]_.
References
----------
.. [1] U. Bauer, "Ripser: efficient computation of Vietoris–Rips
persistence barcodes", 2019; `arXiv:1908.02518
<https://arxiv.org/abs/1908.02518>`_.
.. [2] J.-D. Boissonnat and S. Pritam, "Edge Collapse and Persistence of
Flag Complexes"; in *36th International Symposium on Computational
Geometry (SoCG 2020)*, pp. 19:1–19:15,
Schloss Dagstuhl-Leibniz–Zentrum für Informatik, 2020;
`DOI: 10.4230/LIPIcs.SoCG.2020.19
<https://doi.org/10.4230/LIPIcs.SoCG.2020.19>`_.
"""
_hyperparameters = {
"metric": {"type": (str, FunctionType)},
"metric_params": {"type": dict},
"homology_dimensions": {
"type": (list, tuple),
"of": {"type": int, "in": Interval(0, np.inf, closed="left")}
},
"collapse_edges": {"type": bool},
"coeff": {"type": int, "in": Interval(2, np.inf, closed="left")},
"max_edge_length": {"type": Real},
"infinity_values": {"type": (Real, type(None))},
"reduced_homology": {"type": bool}
}
[docs] def __init__(self, metric="euclidean", metric_params={},
homology_dimensions=(0, 1), collapse_edges=False, coeff=2,
max_edge_length=np.inf, infinity_values=None,
reduced_homology=True, n_jobs=None):
self.metric = metric
self.metric_params = metric_params
self.homology_dimensions = homology_dimensions
self.collapse_edges = collapse_edges
self.coeff = coeff
self.max_edge_length = max_edge_length
self.infinity_values = infinity_values
self.reduced_homology = reduced_homology
self.n_jobs = n_jobs
def _ripser_diagram(self, X):
Xdgms = ripser(
X, maxdim=self._max_homology_dimension,
thresh=self.max_edge_length, coeff=self.coeff, metric=self.metric,
metric_params=self.metric_params,
collapse_edges=self.collapse_edges
)["dgms"]
return Xdgms
[docs] def fit(self, X, y=None):
"""Calculate :attr:`infinity_values_`. Then, return the estimator.
This method is here to implement the usual scikit-learn API and hence
work in pipelines.
Parameters
----------
X : ndarray or list of length n_samples
Input data representing a collection of point clouds if `metric`
was not set to ``"precomputed"``, and of distance matrices or
adjacency matrices of weighted undirected graphs otherwise. Can be
either a 3D ndarray whose zeroth dimension has size ``n_samples``,
or a list containing ``n_samples`` 2D ndarrays/sparse matrices.
Point cloud arrays have shape ``(n_points, n_dimensions)``, and if
`X` is a list these shapes can vary between point clouds. If
`metric` was set to ``"precomputed"``, then:
- Diagonal entries indicate vertex weights, i.e. the filtration
parameters at which vertices appear.
- If entries of `X` are dense, only their upper diagonal
portions (including the diagonal) are considered.
- If entries of `X` are sparse, they do not need to be upper
diagonal or symmetric. If only one of entry (i, j) and (j, i)
is stored, its value is taken as the weight of the undirected
edge {i, j}. If both are stored, the value in the upper
diagonal is taken. Off-diagonal entries which are not
explicitly stored are treated as infinite, indicating absent
edges.
- Entries of `X` should be compatible with a filtration, i.e.
the value at index (i, j) should be no smaller than the
values at diagonal indices (i, i) and (j, j).
y : None
There is no need for a target in a transformer, yet the pipeline
API requires this parameter.
Returns
-------
self : object
"""
validate_params(
self.get_params(), self._hyperparameters, exclude=["n_jobs"])
self._is_precomputed = self.metric == "precomputed"
check_point_clouds(X, accept_sparse=True,
distance_matrices=self._is_precomputed)
if self.infinity_values is None:
self.infinity_values_ = self.max_edge_length
else:
self.infinity_values_ = self.infinity_values
self._homology_dimensions = sorted(self.homology_dimensions)
self._max_homology_dimension = self._homology_dimensions[-1]
return self
[docs] def transform(self, X, y=None):
"""For each point cloud or distance matrix in `X`, compute the
relevant persistence diagram as an array of triples [b, d, q]. Each
triple represents a persistent topological feature in dimension q
(belonging to `homology_dimensions`) which is born at b and dies at d.
Only triples in which b < d are meaningful. Triples in which b and d
are equal ("diagonal elements") may be artificially introduced during
the computation for padding purposes, since the number of non-trivial
persistent topological features is typically not constant across
samples. They carry no information and hence should be effectively
ignored by any further computation.
Parameters
----------
X : ndarray or list of length n_samples
Input data representing a collection of point clouds if `metric`
was not set to ``"precomputed"``, and of distance matrices or
adjacency matrices of weighted undirected graphs otherwise. Can be
either a 3D ndarray whose zeroth dimension has size ``n_samples``,
or a list containing ``n_samples`` 2D ndarrays/sparse matrices.
Point cloud arrays have shape ``(n_points, n_dimensions)``, and if
`X` is a list these shapes can vary between point clouds. If
`metric` was set to ``"precomputed"``, then:
- Diagonal entries indicate vertex weights, i.e. the filtration
parameters at which vertices appear.
- If entries of `X` are dense, only their upper diagonal
portions (including the diagonal) are considered.
- If entries of `X` are sparse, they do not need to be upper
diagonal or symmetric. If only one of entry (i, j) and (j, i)
is stored, its value is taken as the weight of the undirected
edge {i, j}. If both are stored, the value in the upper
diagonal is taken. Off-diagonal entries which are not
explicitly stored are treated as infinite, indicating absent
edges.
- Entries of `X` should be compatible with a filtration, i.e.
the value at index (i, j) should be no smaller than the
values at diagonal indices (i, i) and (j, j).
y : None
There is no need for a target in a transformer, yet the pipeline
API requires this parameter.
Returns
-------
Xt : ndarray of shape (n_samples, n_features, 3)
Array of persistence diagrams computed from the feature arrays or
distance matrices in `X`. ``n_features`` equals
:math:`\\sum_q n_q`, where :math:`n_q` is the maximum number of
topological features in dimension :math:`q` across all samples in
`X`.
"""
check_is_fitted(self)
X = check_point_clouds(X, accept_sparse=True,
distance_matrices=self._is_precomputed)
Xt = Parallel(n_jobs=self.n_jobs)(
delayed(self._ripser_diagram)(x) for x in X)
Xt = _postprocess_diagrams(
Xt, "ripser", self._homology_dimensions, self.infinity_values_,
self.reduced_homology
)
return Xt
[docs] @staticmethod
def plot(Xt, sample=0, homology_dimensions=None, plotly_params=None):
"""Plot a sample from a collection of persistence diagrams, with
homology in multiple dimensions.
Parameters
----------
Xt : ndarray of shape (n_samples, n_features, 3)
Collection of persistence diagrams, such as returned by
:meth:`transform`.
sample : int, optional, default: ``0``
Index of the sample in `Xt` to be plotted.
homology_dimensions : list, tuple or None, optional, default: ``None``
Which homology dimensions to include in the plot. ``None`` means
plotting all dimensions present in ``Xt[sample]``.
plotly_params : dict or None, optional, default: ``None``
Custom parameters to configure the plotly figure. Allowed keys are
``"traces"`` and ``"layout"``, and the corresponding values should
be dictionaries containing keyword arguments as would be fed to the
:meth:`update_traces` and :meth:`update_layout` methods of
:class:`plotly.graph_objects.Figure`.
Returns
-------
fig : :class:`plotly.graph_objects.Figure` object
Plotly figure.
"""
return plot_diagram(
Xt[sample], homology_dimensions=homology_dimensions,
plotly_params=plotly_params
)
[docs]@adapt_fit_transform_docs
class WeightedRipsPersistence(BaseEstimator, TransformerMixin, PlotterMixin):
""":ref:`Persistence diagrams <persistence_diagram>` resulting from
:ref:`weighted Vietoris–Rips filtrations <TODO>` as in [3]_.
Given a :ref:`point cloud <distance_matrices_and_point_clouds>` in
Euclidean space, an abstract :ref:`metric space
<distance_matrices_and_point_clouds>` encoded by a distance matrix, or the
adjacency matrix of a weighted undirected graph, information about the
appearance and disappearance of topological features (technically,
:ref:`homology classes <homology_and_cohomology>`) of various dimensions
and at different scales is summarised in the corresponding persistence
diagram.
Weighted (Vietoris–)Rips filtrations can be useful to highlight topological
features against outliers and noise. Among them, the distance-to-measure
(DTM) filtration is particularly suited to point clouds due to several
favourable properties. This implementation follows the general framework
described in [3]_. The idea is that, starting from a way to compute vertex
weights :math:`\\{w_i\\}_i` from an input point cloud/distance
matrix/adjacency matrix, a modified adjacency matrix is determined whose
diagonal entries are the :math:`\\{w_i\\}_i`, and whose edge weights are
.. math:: w_{ij} = \\begin{cases} \\max\\{ w_i, w_j \\} &\\text{if }
2\\mathrm{dist}_{ij} \\leq |w_i^p - w_j^p|^{\\frac{1}{p}}, \\\\
t &\\text{otherwise} \\end{cases}
where :math:`t` is the only positive root of
.. math:: 2 \\mathrm{dist}_{ij} = (t^p - w_i^p)^\\frac{1}{p} +
(t^p - w_j^p)^\\frac{1}{p}
and :math:`p` is a parameter (see `metric_params`). The modified adjacency
matrices are then treated exactly as in :class:`VietorisRipsPersistence`.
**Important notes**:
- Vertex and edge weights are twice the ones in [3]_ so that the same
results as :class:`VietorisRipsPersistence` are obtained when all
vertex weights are zero.
- Persistence diagrams produced by this class must be interpreted with
care due to the presence of padding triples which carry no
information. See :meth:`transform` for additional information.
Parameters
----------
metric : string or callable, optional, default: ``"euclidean"``
If set to ``"precomputed"``, input data is to be interpreted as a
collection of distance matrices or of adjacency matrices of weighted
undirected graphs. Otherwise, input data is to be interpreted as a
collection of point clouds (i.e. feature arrays), and `metric`
determines a rule with which to calculate distances between pairs of
points (i.e. row vectors). If `metric` is a string, it must be one of
the options allowed by :func:`scipy.spatial.distance.pdist` for its
metric parameter, or a metric listed in
:obj:`sklearn.pairwise.PAIRWISE_DISTANCE_FUNCTIONS`, including
``"euclidean"``, ``"manhattan"`` or ``"cosine"``. If `metric` is a
callable, it should take pairs of vectors (1D arrays) as input and, for
each two vectors in a pair, it should return a scalar indicating the
distance/dissimilarity between them.
metric_params : dict, optional, default: ``{}``
Additional parameters to be passed to the distance function.
homology_dimensions : list or tuple, optional, default: ``(0, 1)``
Dimensions (non-negative integers) of the topological features to be
detected.
weights : ``"DTM"`` or callable, optional, default: ``"DTM"``
Function that will be applied to each input point cloud/distance
matrix/adjacency matrix to compute a 1D array of vertex weights for the
the modified adjacency matrices. The default ``"DTM"`` denotes the
empirical distance-to-measure function defined, following [3]_, by
.. math:: w(x) = 2\\left(\\frac{1}{n+1} \\sum_{k=1}^n
\\mathrm{dist}(x, x_k)^r\\right)^{1/r}.
Here, :math:`\\mathrm{dist}` is the distance metric used, :math:`x_k`
is the :math:`k`-th :math:`\\mathrm{dist}`-nearest neighbour of
:math:`x` (:math:`x` is not considered a neighbour of itself),
:math:`n` is the number of nearest neighbors to include, and :math:`r`
is a parameter (see `weight_params`). If a callable, it must return
non-negative 1D arrays.
weight_params : dict, optional, default: ``None``
Additional parameters for the weighted filtration. ``"p"`` determines
the power to be used in computing edge weights from vertex weights. It
can be one of ``1``, ``2`` or ``np.inf`` and defaults to ``1``. If
`weights` is ``"DTM"``, the additional keys ``"r"`` (default: ``2``)
and ``"n_neighbors"`` (default: ``3``) are available (see `weights`,
where the latter corresponds to :math:`n`).
coeff : int prime, optional, default: ``2``
Compute homology with coefficients in the prime field
:math:`\\mathbb{F}_p = \\{ 0, \\ldots, p - 1 \\}` where :math:`p`
equals `coeff`.
collapse_edges : bool, optional, default: ``False``
Whether to run the edge collapse algorithm in [2]_ prior to the
persistent homology computation (see the Notes). Can reduce the runtime
dramatically when the data or the maximum homology dimensions are
large.
max_edge_weight : float, optional, default: ``numpy.inf``
Maximum value of the filtration parameter in the modified adjacency
matrix. Edges with weight greater than this value will be considered
absent.
infinity_values : float or None, default: ``None``
Which death value to assign to features which are still alive at
filtration value `max_edge_weight`. ``None`` means that this death
value is declared to be equal to `max_edge_weight`.
reduced_homology : bool, optional, default: ``True``
If ``True``, the earliest-born triple in homology dimension 0 which has
infinite death is discarded from each diagram computed in
:meth:`transform`.
n_jobs : int or None, optional, default: ``None``
The number of jobs to use for the computation. ``None`` means 1 unless
in a :obj:`joblib.parallel_backend` context. ``-1`` means using all
processors.
Attributes
----------
infinity_values_ : float
Effective death value to assign to features which are still alive at
filtration value `max_edge_weight`.
effective_weight_params_ : dict
Effective parameters involved in computing the weighted Rips
filtration.
See also
--------
VietorisRipsPersistence, SparseRipsPersistence, FlagserPersistence,
WeakAlphaPersistence, EuclideanCechPersistence, ConsistentRescaling,
ConsecutiveRescaling
Notes
-----
`Ripser <https://github.com/Ripser/ripser>`_ [1]_ is used as a C++ backend
for computing Vietoris–Rips persistent homology. Python bindings were
modified for performance from the `ripser.py
<https://github.com/scikit-tda/ripser.py>`_ package.
`GUDHI <https://github.com/GUDHI/gudhi-devel>`_ is used as a C++ backend
for the edge collapse algorithm described in [2]_.
References
----------
.. [1] U. Bauer, "Ripser: efficient computation of Vietoris–Rips
persistence barcodes", 2019; `arXiv:1908.02518
<https://arxiv.org/abs/1908.02518>`_.
.. [2] J.-D. Boissonnat and S. Pritam, "Edge Collapse and Persistence of
Flag Complexes"; in *36th International Symposium on Computational
Geometry (SoCG 2020)*, pp. 19:1–19:15,
Schloss Dagstuhl-Leibniz–Zentrum für Informatik, 2020;
`DOI: 10.4230/LIPIcs.SoCG.2020.19
<https://doi.org/10.4230/LIPIcs.SoCG.2020.19>`_.
.. [3] H. Anai et al, "DTM-Based Filtrations"; in *Topological Data
Analysis* (Abel Symposia, vol 15), Springer, 2020;
`DOI: 10.1007/978-3-030-43408-3_2
<https://doi.org/10.1007/978-3-030-43408-3_2>`_.
"""
_hyperparameters = {
"metric": {"type": (str, FunctionType)},
"metric_params": {"type": dict},
"homology_dimensions": {
"type": (list, tuple),
"of": {"type": int, "in": Interval(0, np.inf, closed="left")}
},
"weights": {"type": (str, FunctionType)},
"weight_params": {"type": (dict, type(None))},
"collapse_edges": {"type": bool},
"coeff": {"type": int, "in": Interval(2, np.inf, closed="left")},
"max_edge_weight": {"type": Real},
"infinity_values": {"type": (Real, type(None))},
"reduced_homology": {"type": bool}
}
[docs] def __init__(self, metric="euclidean", metric_params={},
homology_dimensions=(0, 1), weights="DTM", weight_params=None,
collapse_edges=False, coeff=2, max_edge_weight=np.inf,
infinity_values=None, reduced_homology=True, n_jobs=None):
self.metric = metric
self.metric_params = metric_params
self.homology_dimensions = homology_dimensions
self.weights = weights
self.weight_params = weight_params
self.collapse_edges = collapse_edges
self.coeff = coeff
self.max_edge_weight = max_edge_weight
self.infinity_values = infinity_values
self.reduced_homology = reduced_homology
self.n_jobs = n_jobs
def _ripser_diagram(self, X):
if isinstance(self.weights, FunctionType):
weights = self.weights(X)
else:
weights = self.weights
Xdgms = ripser(
X, maxdim=self._max_homology_dimension,
thresh=self.max_edge_weight, coeff=self.coeff, metric=self.metric,
metric_params=self.metric_params, weights=weights,
weight_params=self.effective_weight_params_,
collapse_edges=self.collapse_edges
)["dgms"]
return Xdgms
[docs] def fit(self, X, y=None):
"""Calculate :attr:`infinity_values_`. Then, return the estimator.
This method is here to implement the usual scikit-learn API and hence
work in pipelines.
Parameters
----------
X : ndarray or list of length n_samples
Input data representing a collection of point clouds if `metric`
was not set to ``"precomputed"``, and of distance matrices or
adjacency matrices of weighted undirected graphs otherwise. Can be
either a 3D ndarray whose zeroth dimension has size ``n_samples``,
or a list containing ``n_samples`` 2D ndarrays/sparse matrices.
Point cloud arrays have shape ``(n_points, n_dimensions)``, and if
`X` is a list these shapes can vary between point clouds. If
`metric` was set to ``"precomputed"``, then:
- All entries of `X` should not contain infinities or negative
values (contrary to :class:`VietorisRipsPersistence`).
- The diagonals of entries of `X` are ignored (after the vertex
weights are computed, when `weights` is a callable).
- If entries of `X` are dense, only their upper diagonal
portions are considered.
- If entries of `X` are sparse, they do not need to be upper
diagonal or symmetric. If only one of entry (i, j) and (j, i)
is stored, its value is taken as the weight of the undirected
edge {i, j}. If both are stored, the value in the upper
diagonal is taken. Off-diagonal entries which are not
explicitly stored are treated as infinite, indicating absent
edges.
y : None
There is no need for a target in a transformer, yet the pipeline
API requires this parameter.
Returns
-------
self : object
"""
validate_params(
self.get_params(), self._hyperparameters, exclude=["n_jobs"])
if isinstance(self.weights, str) and self.weights != "DTM":
raise ValueError(f"'{self.weights}' passed for `weights` but the "
f"only allowed string is 'DTM'.")
self.effective_weight_params_ = {"p": 1}
if self.weights == "DTM":
key = "DTM"
self.effective_weight_params_.update({"n_neighbors": 3, "r": 2})
else:
key = "general"
if self.weight_params is not None:
self.effective_weight_params_.update(self.weight_params)
validate_params(self.effective_weight_params_,
_AVAILABLE_RIPS_WEIGHTS[key])
self._is_precomputed = self.metric == "precomputed"
check_point_clouds(X, accept_sparse=True, force_all_finite=True,
distance_matrices=self._is_precomputed)
if self.infinity_values is None:
self.infinity_values_ = self.max_edge_weight
else:
self.infinity_values_ = self.infinity_values
self._homology_dimensions = sorted(self.homology_dimensions)
self._max_homology_dimension = self._homology_dimensions[-1]
return self
[docs] def transform(self, X, y=None):
"""For each point cloud or distance matrix in `X`, compute the
relevant persistence diagram as an array of triples [b, d, q]. Each
triple represents a persistent topological feature in dimension q
(belonging to `homology_dimensions`) which is born at b and dies at d.
Only triples in which b < d are meaningful. Triples in which b and d
are equal ("diagonal elements") may be artificially introduced during
the computation for padding purposes, since the number of non-trivial
persistent topological features is typically not constant across
samples. They carry no information and hence should be effectively
ignored by any further computation.
Parameters
----------
X : ndarray or list of length n_samples
Input data representing a collection of point clouds if `metric`
was not set to ``"precomputed"``, and of distance matrices or
adjacency matrices of weighted undirected graphs otherwise. Can be
either a 3D ndarray whose zeroth dimension has size ``n_samples``,
or a list containing ``n_samples`` 2D ndarrays/sparse matrices.
Point cloud arrays have shape ``(n_points, n_dimensions)``, and if
`X` is a list these shapes can vary between point clouds. If
`metric` was set to ``"precomputed"``, then:
- All entries of `X` should not contain infinities or negative
values (contrary to :class:`VietorisRipsPersistence`).
- The diagonals of entries of `X` are ignored (after the vertex
weights are computed, when `weights` is a callable).
- If entries of `X` are dense, only their upper diagonal
portions are considered.
- If entries of `X` are sparse, they do not need to be upper
diagonal or symmetric. If only one of entry (i, j) and (j, i)
is stored, its value is taken as the weight of the undirected
edge {i, j}. If both are stored, the value in the upper
diagonal is taken. Off-diagonal entries which are not
explicitly stored are treated as infinite, indicating absent
edges.
y : None
There is no need for a target in a transformer, yet the pipeline
API requires this parameter.
Returns
-------
Xt : ndarray of shape (n_samples, n_features, 3)
Array of persistence diagrams computed from the feature arrays or
distance matrices in `X`. ``n_features`` equals
:math:`\\sum_q n_q`, where :math:`n_q` is the maximum number of
topological features in dimension :math:`q` across all samples in
`X`.
"""
check_is_fitted(self)
X = check_point_clouds(X, accept_sparse=True, force_all_finite=True,
distance_matrices=self._is_precomputed)
Xt = Parallel(n_jobs=self.n_jobs)(
delayed(self._ripser_diagram)(x) for x in X)
Xt = _postprocess_diagrams(
Xt, "ripser", self._homology_dimensions, self.infinity_values_,
self.reduced_homology
)
return Xt
[docs] @staticmethod
def plot(Xt, sample=0, homology_dimensions=None, plotly_params=None):
"""Plot a sample from a collection of persistence diagrams, with
homology in multiple dimensions.
Parameters
----------
Xt : ndarray of shape (n_samples, n_features, 3)
Collection of persistence diagrams, such as returned by
:meth:`transform`.
sample : int, optional, default: ``0``
Index of the sample in `Xt` to be plotted.
homology_dimensions : list, tuple or None, optional, default: ``None``
Which homology dimensions to include in the plot. ``None`` means
plotting all dimensions present in ``Xt[sample]``.
plotly_params : dict or None, optional, default: ``None``
Custom parameters to configure the plotly figure. Allowed keys are
``"traces"`` and ``"layout"``, and the corresponding values should
be dictionaries containing keyword arguments as would be fed to the
:meth:`update_traces` and :meth:`update_layout` methods of
:class:`plotly.graph_objects.Figure`.
Returns
-------
fig : :class:`plotly.graph_objects.Figure` object
Plotly figure.
"""
return plot_diagram(
Xt[sample], homology_dimensions=homology_dimensions,
plotly_params=plotly_params
)
[docs]@adapt_fit_transform_docs
class SparseRipsPersistence(BaseEstimator, TransformerMixin, PlotterMixin):
""":ref:`Persistence diagrams <persistence_diagram>` resulting from
:ref:`Sparse Vietoris–Rips filtrations
<vietoris-rips_complex_and_vietoris-rips_persistence>`.
Given a :ref:`point cloud <distance_matrices_and_point_clouds>` in
Euclidean space, or an abstract :ref:`metric space
<distance_matrices_and_point_clouds>` encoded by a distance matrix,
information about the appearance and disappearance of topological features
(technically, :ref:`homology classes <homology_and_cohomology>`) of various
dimensions and at different scales is summarised in the corresponding
persistence diagram.
**Important note**:
- Persistence diagrams produced by this class must be interpreted with
care due to the presence of padding triples which carry no
information. See :meth:`transform` for additional information.
Parameters
----------
metric : string or callable, optional, default: ``"euclidean"``
If set to ``"precomputed"``, input data is to be interpreted as a
collection of distance matrices. Otherwise, input data is to be
interpreted as a collection of point clouds (i.e. feature arrays), and
`metric` determines a rule with which to calculate distances between
pairs of instances (i.e. rows) in these arrays. If `metric` is a
string, it must be one of the options allowed by
:func:`scipy.spatial.distance.pdist` for its metric parameter, or a
metric listed in :obj:`sklearn.pairwise.PAIRWISE_DISTANCE_FUNCTIONS`,
including "euclidean", "manhattan", or "cosine". If `metric` is a
callable, it is called on each pair of instances and the resulting
value recorded. The callable should take two arrays from the entry in
`X` as input, and return a value indicating the distance between them.
homology_dimensions : list or tuple, optional, default: ``(0, 1)``
Dimensions (non-negative integers) of the topological features to be
detected.
coeff : int prime, optional, default: ``2``
Compute homology with coefficients in the prime field
:math:`\\mathbb{F}_p = \\{ 0, \\ldots, p - 1 \\}` where :math:`p`
equals `coeff`.
epsilon : float between 0. and 1., optional, default: ``0.1``
Parameter controlling the approximation to the exact Vietoris–Rips
filtration. If set to `0.`, :class:`SparseRipsPersistence` leads to the
same results as :class:`VietorisRipsPersistence` but is slower.
max_edge_length : float, optional, default: ``numpy.inf``
Maximum value of the Sparse Rips filtration parameter. Points whose
distance is greater than this value will never be connected by an edge,
and topological features at scales larger than this value will not be
detected.
infinity_values : float or None, default: ``None``
Which death value to assign to features which are still alive at
filtration value `max_edge_length`. ``None`` means that this death
value is declared to be equal to `max_edge_length`.
reduced_homology : bool, optional, default: ``True``
If ``True``, the earliest-born triple in homology dimension 0 which has
infinite death is discarded from each diagram computed in
:meth:`transform`.
n_jobs : int or None, optional, default: ``None``
The number of jobs to use for the computation. ``None`` means 1 unless
in a :obj:`joblib.parallel_backend` context. ``-1`` means using all
processors.
Attributes
----------
infinity_values_ : float
Effective death value to assign to features which are still alive at
filtration value `max_edge_length`. Set in :meth:`fit`.
See also
--------
VietorisRipsPersistence, WeightedRipsPersistence, FlagserPersistence,
WeakAlphaPersistence, EuclideanCechPersistence, ConsistentRescaling,
ConsecutiveRescaling
Notes
-----
`GUDHI <https://github.com/GUDHI/gudhi-devel>`_ is used as a C++ backend
for computing sparse Vietoris–Rips persistent homology [1]_. Python
bindings were modified for performance.
References
----------
.. [1] C. Maria, "Persistent Cohomology", 2020; `GUDHI User and Reference
Manual <http://gudhi.gforge.inria.fr/doc/3.1.0/group__persistent__\
cohomology.html>`_.
"""
_hyperparameters = {
"metric": {"type": (str, FunctionType)},
"homology_dimensions": {
"type": (list, tuple),
"of": {"type": int, "in": Interval(0, np.inf, closed="left")}
},
"coeff": {"type": int, "in": Interval(2, np.inf, closed="left")},
"epsilon": {"type": Real, "in": Interval(0, 1, closed="both")},
"max_edge_length": {"type": Real},
"infinity_values": {"type": (Real, type(None))},
"reduced_homology": {"type": bool}
}
[docs] def __init__(self, metric="euclidean", homology_dimensions=(0, 1),
coeff=2, epsilon=0.1, max_edge_length=np.inf,
infinity_values=None, reduced_homology=True, n_jobs=None):
self.metric = metric
self.homology_dimensions = homology_dimensions
self.coeff = coeff
self.epsilon = epsilon
self.max_edge_length = max_edge_length
self.infinity_values = infinity_values
self.reduced_homology = reduced_homology
self.n_jobs = n_jobs
def _gudhi_diagram(self, X):
Xdgm = pairwise_distances(X, metric=self.metric)
sparse_rips_complex = SparseRipsComplex(
distance_matrix=Xdgm, max_edge_length=self.max_edge_length,
sparse=self.epsilon
)
simplex_tree = sparse_rips_complex.create_simplex_tree(
max_dimension=max(self._homology_dimensions) + 1
)
Xdgm = simplex_tree.persistence(
homology_coeff_field=self.coeff, min_persistence=0
)
return Xdgm
[docs] def fit(self, X, y=None):
"""Calculate :attr:`infinity_values_`. Then, return the estimator.
This method is here to implement the usual scikit-learn API and hence
work in pipelines.
Parameters
----------
X : ndarray or list of length n_samples
Input data representing a collection of point clouds if `metric`
was not set to ``"precomputed"``, and of distance matrices
otherwise. Can be either a 3D ndarray whose zeroth dimension has
size ``n_samples``, or a list containing ``n_samples`` 2D ndarrays.
Point cloud arrays have shape ``(n_points, n_dimensions)``, and if
`X` is a list these shapes can vary between point clouds. If
`metric` was set to ``"precomputed"``, each entry of `X` should be
compatible with a filtration, i.e. the value at index (i, j) should
be no smaller than the values at diagonal indices (i, i) and
(j, j).
y : None
There is no need for a target in a transformer, yet the pipeline
API requires this parameter.
Returns
-------
self : object
"""
validate_params(
self.get_params(), self._hyperparameters, exclude=["n_jobs"])
self._is_precomputed = self.metric == "precomputed"
check_point_clouds(X, accept_sparse=True,
distance_matrices=self._is_precomputed)
if self.infinity_values is None:
self.infinity_values_ = self.max_edge_length
else:
self.infinity_values_ = self.infinity_values
self._homology_dimensions = sorted(self.homology_dimensions)
self._max_homology_dimension = self._homology_dimensions[-1]
return self
[docs] def transform(self, X, y=None):
"""For each point cloud or distance matrix in `X`, compute the
relevant persistence diagram as an array of triples [b, d, q]. Each
triple represents a persistent topological feature in dimension q
(belonging to `homology_dimensions`) which is born at b and dies at d.
Only triples in which b < d are meaningful. Triples in which b and d
are equal ("diagonal elements") may be artificially introduced during
the computation for padding purposes, since the number of non-trivial
persistent topological features is typically not constant across
samples. They carry no information and hence should be effectively
ignored by any further computation.
Parameters
----------
X : ndarray or list of length n_samples
Input data representing a collection of point clouds if `metric`
was not set to ``"precomputed"``, and of distance matrices
otherwise. Can be either a 3D ndarray whose zeroth dimension has
size ``n_samples``, or a list containing ``n_samples`` 2D ndarrays.
Point cloud arrays have shape ``(n_points, n_dimensions)``, and if
`X` is a list these shapes can vary between point clouds. If
`metric` was set to ``"precomputed"``, each entry of `X` should be
compatible with a filtration, i.e. the value at index (i, j) should
be no smaller than the values at diagonal indices (i, i) and
(j, j).
y : None
There is no need for a target in a transformer, yet the pipeline
API requires this parameter.
Returns
-------
Xt : ndarray of shape (n_samples, n_features, 3)
Array of persistence diagrams computed from the feature arrays or
distance matrices in `X`. ``n_features`` equals
:math:`\\sum_q n_q`, where :math:`n_q` is the maximum number of
topological features in dimension :math:`q` across all samples in
`X`.
"""
check_is_fitted(self)
X = check_point_clouds(X, accept_sparse=True,
distance_matrices=self._is_precomputed)
Xt = Parallel(n_jobs=self.n_jobs)(
delayed(self._gudhi_diagram)(x) for x in X)
Xt = _postprocess_diagrams(
Xt, "gudhi", self._homology_dimensions, self.infinity_values_,
self.reduced_homology
)
return Xt
[docs] @staticmethod
def plot(Xt, sample=0, homology_dimensions=None, plotly_params=None):
"""Plot a sample from a collection of persistence diagrams, with
homology in multiple dimensions.
Parameters
----------
Xt : ndarray of shape (n_samples, n_features, 3)
Collection of persistence diagrams, such as returned by
:meth:`transform`.
sample : int, optional, default: ``0``
Index of the sample in `Xt` to be plotted.
homology_dimensions : list, tuple or None, optional, default: ``None``
Which homology dimensions to include in the plot. ``None`` means
plotting all dimensions present in ``Xt[sample]``.
plotly_params : dict or None, optional, default: ``None``
Custom parameters to configure the plotly figure. Allowed keys are
``"traces"`` and ``"layout"``, and the corresponding values should
be dictionaries containing keyword arguments as would be fed to the
:meth:`update_traces` and :meth:`update_layout` methods of
:class:`plotly.graph_objects.Figure`.
Returns
-------
fig : :class:`plotly.graph_objects.Figure` object
Plotly figure.
"""
return plot_diagram(
Xt[sample], homology_dimensions=homology_dimensions,
plotly_params=plotly_params
)
[docs]@adapt_fit_transform_docs
class WeakAlphaPersistence(BaseEstimator, TransformerMixin, PlotterMixin):
""":ref:`Persistence diagrams <persistence_diagram>` resulting from
:ref:`weak alpha filtrations <TODO>`.
Given a :ref:`point cloud <distance_matrices_and_point_clouds>` in
Euclidean space, information about the appearance and disappearance of
topological features (technically, :ref:`homology classes
<homology_and_cohomology>`) of various dimensions and at different scales
is summarised in the corresponding persistence diagram.
The weak alpha filtration of a point cloud is defined to be the
:ref:`Vietoris–Rips filtration
<vietoris-rips_complex_and_vietoris-rips_persistence>` of the sparse matrix
of Euclidean distances between neighbouring vertices in the Delaunay
triangulation of the point cloud. In low dimensions, computing the
persistent homology of this filtration can be much faster than computing
Vietoris–Rips persistent homology via :class:`VietorisRipsPersistence`.
**Important note**:
- Persistence diagrams produced by this class must be interpreted with
care due to the presence of padding triples which carry no
information. See :meth:`transform` for additional information.
Parameters
----------
homology_dimensions : list or tuple, optional, default: ``(0, 1)``
Dimensions (non-negative integers) of the topological features to be
detected.
coeff : int prime, optional, default: ``2``
Compute homology with coefficients in the prime field
:math:`\\mathbb{F}_p = \\{ 0, \\ldots, p - 1 \\}` where :math:`p`
equals `coeff`.
max_edge_length : float, optional, default: ``numpy.inf``
Maximum value of the Vietoris–Rips filtration parameter. Points whose
distance is greater than this value will never be connected by an edge,
and topological features at scales larger than this value will not be
detected.
infinity_values : float or None, default: ``None``
Which death value to assign to features which are still alive at
filtration value `max_edge_length`. ``None`` means that this death
value is declared to be equal to `max_edge_length`.
reduced_homology : bool, optional, default: ``True``
If ``True``, the earliest-born triple in homology dimension 0 which has
infinite death is discarded from each diagram computed in
:meth:`transform`.
n_jobs : int or None, optional, default: ``None``
The number of jobs to use for the computation. ``None`` means 1 unless
in a :obj:`joblib.parallel_backend` context. ``-1`` means using all
processors.
Attributes
----------
infinity_values_ : float
Effective death value to assign to features which are still alive at
filtration value `max_edge_length`.
See also
--------
VietorisRipsPersistence, WeightedRipsPersistence, SparseRipsPersistence,
FlagserPersistence, EuclideanCechPersistence
Notes
-----
Delaunay triangulation are computed by :class:`scipy.spatial.Delaunay`.
`Ripser <https://github.com/Ripser/ripser>`_ [1]_ is used as a C++ backend
for computing Vietoris–Rips persistent homology. Python bindings were
modified for performance from the `ripser.py
<https://github.com/scikit-tda/ripser.py>`_ package.
References
----------
.. [1] U. Bauer, "Ripser: efficient computation of Vietoris–Rips
persistence barcodes", 2019; `arXiv:1908.02518
<https://arxiv.org/abs/1908.02518>`_.
"""
_hyperparameters = {
"homology_dimensions": {
"type": (list, tuple),
"of": {"type": int, "in": Interval(0, np.inf, closed="left")}
},
"coeff": {"type": int, "in": Interval(2, np.inf, closed="left")},
"max_edge_length": {"type": Real},
"infinity_values": {"type": (Real, type(None))},
"reduced_homology": {"type": bool}
}
[docs] def __init__(self, homology_dimensions=(0, 1), coeff=2,
max_edge_length=np.inf, infinity_values=None,
reduced_homology=True, n_jobs=None):
self.homology_dimensions = homology_dimensions
self.coeff = coeff
self.max_edge_length = max_edge_length
self.infinity_values = infinity_values
self.reduced_homology = reduced_homology
self.n_jobs = n_jobs
def _weak_alpha_diagram(self, X):
# `indices` will serve as the array of column indices
indptr, indices = Delaunay(X).vertex_neighbor_vertices
# Compute the array of row indices
row = np.zeros_like(indices)
row[indptr[1:-1]] = 1
np.cumsum(row, out=row)
# We only need the upper diagonal
mask = indices > row
row, col = row[mask], indices[mask]
dists = np.linalg.norm(X[row] - X[col], axis=1)
# Note: passing the shape explicitly should not be needed in more
# recent versions of C++ ripser
n_points = len(X)
dm = coo_matrix((dists, (row, col)), shape=(n_points, n_points))
Xdgms = ripser(dm, maxdim=self._max_homology_dimension,
thresh=self.max_edge_length, coeff=self.coeff,
metric="precomputed")["dgms"]
return Xdgms
[docs] def fit(self, X, y=None):
"""Calculate :attr:`infinity_values_`. Then, return the estimator.
This method is here to implement the usual scikit-learn API and hence
work in pipelines.
Parameters
----------
X : ndarray or list of length n_samples
Input data representing a collection of point clouds. Can be either
a 3D ndarray whose zeroth dimension has size ``n_samples``, or a
list containing ``n_samples`` 2D ndarrays. Point cloud arrays have
shape ``(n_points, n_dimensions)``, and if `X` is a list these
shapes can vary between point clouds.
y : None
There is no need for a target in a transformer, yet the pipeline
API requires this parameter.
Returns
-------
self : object
"""
validate_params(
self.get_params(), self._hyperparameters, exclude=["n_jobs"])
check_point_clouds(X)
if self.infinity_values is None:
self.infinity_values_ = self.max_edge_length
else:
self.infinity_values_ = self.infinity_values
self._homology_dimensions = sorted(self.homology_dimensions)
self._max_homology_dimension = self._homology_dimensions[-1]
return self
[docs] def transform(self, X, y=None):
"""For each point cloud in `X`, compute the relevant persistence
diagram as an array of triples [b, d, q]. Each triple represents a
persistent topological feature in dimension q (belonging to
`homology_dimensions`) which is born at b and dies at d. Only triples
in which b < d are meaningful. Triples in which b and d are equal
("diagonal elements") may be artificially introduced during the
computation for padding purposes, since the number of non-trivial
persistent topological features is typically not constant across
samples. They carry no information and hence should be effectively
ignored by any further computation.
Parameters
----------
X : ndarray or list of length n_samples
Input data representing a collection of point clouds. Can be either
a 3D ndarray whose zeroth dimension has size ``n_samples``, or a
list containing ``n_samples`` 2D ndarrays. Point cloud arrays have
shape ``(n_points, n_dimensions)``, and if `X` is a list these
shapes can vary between point clouds.
y : None
There is no need for a target in a transformer, yet the pipeline
API requires this parameter.
Returns
-------
Xt : ndarray of shape (n_samples, n_features, 3)
Array of persistence diagrams computed from the feature arrays or
distance matrices in `X`. ``n_features`` equals
:math:`\\sum_q n_q`, where :math:`n_q` is the maximum number of
topological features in dimension :math:`q` across all samples in
`X`.
"""
check_is_fitted(self)
X = check_point_clouds(X)
Xt = Parallel(n_jobs=self.n_jobs)(
delayed(self._weak_alpha_diagram)(x) for x in X)
Xt = _postprocess_diagrams(
Xt, "ripser", self._homology_dimensions, self.infinity_values_,
self.reduced_homology
)
return Xt
[docs] @staticmethod
def plot(Xt, sample=0, homology_dimensions=None, plotly_params=None):
"""Plot a sample from a collection of persistence diagrams, with
homology in multiple dimensions.
Parameters
----------
Xt : ndarray of shape (n_samples, n_features, 3)
Collection of persistence diagrams, such as returned by
:meth:`transform`.
sample : int, optional, default: ``0``
Index of the sample in `Xt` to be plotted.
homology_dimensions : list, tuple or None, optional, default: ``None``
Which homology dimensions to include in the plot. ``None`` means
plotting all dimensions present in ``Xt[sample]``.
plotly_params : dict or None, optional, default: ``None``
Custom parameters to configure the plotly figure. Allowed keys are
``"traces"`` and ``"layout"``, and the corresponding values should
be dictionaries containing keyword arguments as would be fed to the
:meth:`update_traces` and :meth:`update_layout` methods of
:class:`plotly.graph_objects.Figure`.
Returns
-------
fig : :class:`plotly.graph_objects.Figure` object
Plotly figure.
"""
return plot_diagram(
Xt[sample], homology_dimensions=homology_dimensions,
plotly_params=plotly_params
)
[docs]@adapt_fit_transform_docs
class EuclideanCechPersistence(BaseEstimator, TransformerMixin, PlotterMixin):
""":ref:`Persistence diagrams <persistence_diagram>` resulting from
`Cech filtrations <cech_complex_and_cech_persistence>`_.
Given a :ref:`point cloud <distance_matrices_and_point_clouds>` in
Euclidean space, information about the appearance and disappearance of
topological features (technically, :ref:`homology classes
<homology_and_cohomology>`) of various dimensions and at different scales
is summarised in the corresponding persistence diagram.
**Important note**:
- Persistence diagrams produced by this class must be interpreted with
care due to the presence of padding triples which carry no
information. See :meth:`transform` for additional information.
Parameters
----------
homology_dimensions : list or tuple, optional, default: ``(0, 1)``
Dimensions (non-negative integers) of the topological features to be
detected.
coeff : int prime, optional, default: ``2``
Compute homology with coefficients in the prime field
:math:`\\mathbb{F}_p = \\{ 0, \\ldots, p - 1 \\}` where :math:`p`
equals `coeff`.
max_edge_length : float, optional, default: ``numpy.inf``
Maximum value of the Cech filtration parameter. Topological features at
scales larger than this value will not be detected.
infinity_values : float or None, default: ``None``
Which death value to assign to features which are still alive at
filtration value `max_edge_length`. ``None`` means that this death
value is declared to be equal to `max_edge_length`.
reduced_homology : bool, optional, default: ``True``
If ``True``, the earliest-born triple in homology dimension 0 which has
infinite death is discarded in :meth:`transform`.
n_jobs : int or None, optional, default: ``None``
The number of jobs to use for the computation. ``None`` means 1 unless
in a :obj:`joblib.parallel_backend` context. ``-1`` means using all
processors.
Attributes
----------
infinity_values_ : float
Effective death value to assign to features which are still alive at
filtration value `max_edge_length`.
See also
--------
VietorisRipsPersistence, FlagserPersistence, SparseRipsPersistence,
WeakAlphaPersistence
Notes
-----
`GUDHI <https://github.com/GUDHI/gudhi-devel>`_ is used as a C++ backend
for computing Cech persistent homology [1]_. Python bindings were modified
for performance.
References
----------
.. [1] C. Maria, "Persistent Cohomology", 2020; `GUDHI User and Reference
Manual <http://gudhi.gforge.inria.fr/doc/3.1.0/group__persistent__\
cohomology.html>`_.
"""
_hyperparameters = {
"homology_dimensions": {
"type": (list, tuple),
"of": {"type": int, "in": Interval(0, np.inf, closed="left")}
},
"coeff": {"type": int, "in": Interval(2, np.inf, closed="left")},
"max_edge_length": {"type": Real,
"in": Interval(0, np.inf, closed="right")},
"infinity_values": {"type": (Real, type(None)),
"in": Interval(0, np.inf, closed="neither")},
"reduced_homology": {"type": bool}
}
[docs] def __init__(self, homology_dimensions=(0, 1), coeff=2,
max_edge_length=np.inf, infinity_values=None,
reduced_homology=True, n_jobs=None):
self.homology_dimensions = homology_dimensions
self.coeff = coeff
self.max_edge_length = max_edge_length
self.infinity_values = infinity_values
self.reduced_homology = reduced_homology
self.n_jobs = n_jobs
def _gudhi_diagram(self, X):
cech_complex = CechComplex(points=X, max_radius=self.max_edge_length)
simplex_tree = cech_complex.create_simplex_tree(
max_dimension=max(self._homology_dimensions) + 1
)
Xdgm = simplex_tree.persistence(homology_coeff_field=self.coeff,
min_persistence=0)
return Xdgm
[docs] def fit(self, X, y=None):
"""Calculate :attr:`infinity_values_`. Then, return the estimator.
This method is here to implement the usual scikit-learn API and hence
work in pipelines.
Parameters
----------
X : ndarray or list of length n_samples
Input data representing a collection of point clouds. Can be either
a 3D ndarray whose zeroth dimension has size ``n_samples``, or a
list containing ``n_samples`` 2D ndarrays. Point cloud arrays have
shape ``(n_points, n_dimensions)``, and if `X` is a list these
shapes can vary between point clouds.
y : None
There is no need for a target in a transformer, yet the pipeline
API requires this parameter.
Returns
-------
self : object
"""
check_point_clouds(X)
validate_params(
self.get_params(), self._hyperparameters, exclude=["n_jobs"])
if self.infinity_values is None:
self.infinity_values_ = self.max_edge_length
else:
self.infinity_values_ = self.infinity_values
self._homology_dimensions = sorted(self.homology_dimensions)
self._max_homology_dimension = self._homology_dimensions[-1]
return self
[docs] def transform(self, X, y=None):
"""For each point cloud in `X`, compute the relevant persistence
diagram as an array of triples [b, d, q]. Each triple represents a
persistent topological feature in dimension q (belonging to
`homology_dimensions`) which is born at b and dies at d. Only triples
in which b < d are meaningful. Triples in which b and d are equal
("diagonal elements") may be artificially introduced during the
computation for padding purposes, since the number of non-trivial
persistent topological features is typically not constant across
samples. They carry no information and hence should be effectively
ignored by any further computation.
Parameters
----------
X : ndarray or list of length n_samples
Input data representing a collection of point clouds. Can be either
a 3D ndarray whose zeroth dimension has size ``n_samples``, or a
list containing ``n_samples`` 2D ndarrays. Point cloud arrays have
shape ``(n_points, n_dimensions)``, and if `X` is a list these
shapes can vary between point clouds.
y : None
There is no need for a target in a transformer, yet the pipeline
API requires this parameter.
Returns
-------
Xt : ndarray of shape (n_samples, n_features, 3)
Array of persistence diagrams computed from the feature arrays in
`X`. ``n_features`` equals :math:`\\sum_q n_q`, where :math:`n_q`
is the maximum number of topological features in dimension
:math:`q` across all samples in `X`.
"""
check_is_fitted(self)
X = check_point_clouds(X)
Xt = Parallel(n_jobs=self.n_jobs)(delayed(self._gudhi_diagram)(x)
for x in X)
Xt = _postprocess_diagrams(
Xt, "gudhi", self._homology_dimensions, self.infinity_values_,
self.reduced_homology
)
return Xt
[docs] @staticmethod
def plot(Xt, sample=0, homology_dimensions=None, plotly_params=None):
"""Plot a sample from a collection of persistence diagrams, with
homology in multiple dimensions.
Parameters
----------
Xt : ndarray of shape (n_samples, n_features, 3)
Collection of persistence diagrams, such as returned by
:meth:`transform`.
sample : int, optional, default: ``0``
Index of the sample in `Xt` to be plotted.
homology_dimensions : list, tuple or None, optional, default: ``None``
Which homology dimensions to include in the plot. ``None`` means
plotting all dimensions present in ``Xt[sample]``.
plotly_params : dict or None, optional, default: ``None``
Custom parameters to configure the plotly figure. Allowed keys are
``"traces"`` and ``"layout"``, and the corresponding values should
be dictionaries containing keyword arguments as would be fed to the
:meth:`update_traces` and :meth:`update_layout` methods of
:class:`plotly.graph_objects.Figure`.
Returns
-------
fig : :class:`plotly.graph_objects.Figure` object
Plotly figure.
"""
return plot_diagram(
Xt[sample], homology_dimensions=homology_dimensions,
plotly_params=plotly_params
)
[docs]@adapt_fit_transform_docs
class FlagserPersistence(BaseEstimator, TransformerMixin, PlotterMixin):
""":ref:`Persistence diagrams <persistence_diagram>` resulting from
:ref:`filtrations <filtered_complex>` of :ref:`directed or undirected flag
complexes <clique_and_flag_complexes>` [1]_.
Given a weighted directed or undirected graph, information about the
appearance and disappearance of topological features (technically,
:ref:`homology classes <homology_and_cohomology>`) of various dimension and
at different scales is summarised in the corresponding persistence diagram.
**Important note**:
- Persistence diagrams produced by this class must be interpreted with
care due to the presence of padding triples which carry no
information. See :meth:`transform` for additional information.
Parameters
----------
homology_dimensions : list or tuple, optional, default: ``(0, 1)``
Dimensions (non-negative integers) of the topological features to be
detected.
directed : bool, optional, default: ``True``
If ``True``, :meth:`transform` computes the persistence diagrams of the
filtered directed flag complexes arising from the input collection of
weighted directed graphs. If ``False``, :meth:`transform` computes the
persistence diagrams of the filtered undirected flag complexes obtained
by regarding all input weighted graphs as undirected, and:
- if `max_edge_weight` is ``numpy.inf``, it is sufficient to pass a
collection of (dense or sparse) upper-triangular matrices;
- if `max_edge_weight` is finite, it is recommended to pass either a
collection of symmetric dense matrices, or a collection of sparse
upper-triangular matrices.
filtration : string, optional, default: ``"max"``
Algorithm determining the filtration values of higher order simplices
from the weights of the vertices and edges. Possible values are:
["dimension", "zero", "max", "max3", "max_plus_one", "product", "sum",
"pmean", "pmoment", "remove_edges", "vertex_degree"]
coeff : int prime, optional, default: ``2``
Compute homology with coefficients in the prime field
:math:`\\mathbb{F}_p = \\{ 0, \\ldots, p - 1 \\}` where :math:`p`
equals `coeff`.
max_edge_weight : float, optional, default: ``numpy.inf``
Maximum edge weight to be considered in the filtration. All edge
weights greater than this value will be considered as absent from the
filtration and topological features at scales larger than this value
will not be detected.
infinity_values : float or None, default: ``None``
Which death value to assign to features which are still alive at
filtration value `max_edge_weight`. ``None`` means that this death
value is declared to be equal to `max_edge_weight`.
reduced_homology : bool, optional, default: ``True``
If ``True``, the earliest-born triple in homology dimension 0 which has
infinite death is discarded from each diagram computed in
:meth:`transform`.
max_entries : int, optional, default: ``-1``
Number controlling the degree of precision in the matrix reductions
performed by the the backend. Corresponds to the parameter
``approximation`` in :func:`pyflagser.flagser_weighted` and
:func:`pyflagser.flagser_unweighted`. Increase for higher precision,
decrease for faster computation. A good value is often ``100000`` in
hard problems. A negative value computes highest possible precision.
n_jobs : int or None, optional, default: ``None``
The number of jobs to use for the computation. ``None`` means 1 unless
in a :obj:`joblib.parallel_backend` context. ``-1`` means using all
processors.
Attributes
----------
infinity_values_ : float
Effective death value to assign to features which are still alive at
filtration value `max_edge_weight`.
See also
--------
VietorisRipsPersistence, WeightedRipsPersistence, SparseRipsPersistence,
WeakAlphaPersistence, EuclideanCechPersistence, ConsistentRescaling,
ConsecutiveRescaling
Notes
-----
The `pyflagser <https://github.com/giotto-ai/pyflagser>`_ Python package
is used for binding `Flagser <https://github.com/luetge/flagser>`_, a C++
backend for computing the (persistent) homology of (filtered) directed
flag complexes. For more details, please refer to the `flagser \
documentation <https://github.com/luetge/flagser/blob/master/docs/\
documentation_flagser.pdf>`_.
References
----------
.. [1] D. Luetgehetmann, D. Govc, J. P. Smith, and R. Levi, "Computing
persistent homology of directed flag complexes", *Algorithms*,
13(1), 2020.
"""
_hyperparameters = {
"homology_dimensions": {
"type": (list, tuple),
"of": {"type": int, "in": Interval(0, np.inf, closed="left")}
},
"directed": {"type": bool},
"coeff": {"type": int, "in": Interval(2, np.inf, closed="left")},
"max_edge_weight": {"type": Real},
"infinity_values": {"type": (Real, type(None))},
"reduced_homology": {"type": bool},
"max_entries": {"type": int}
}
[docs] def __init__(self, homology_dimensions=(0, 1), directed=True,
filtration="max", coeff=2, max_edge_weight=np.inf,
infinity_values=None, reduced_homology=True, max_entries=-1,
n_jobs=None):
self.homology_dimensions = homology_dimensions
self.directed = directed
self.filtration = filtration
self.coeff = coeff
self.max_edge_weight = max_edge_weight
self.infinity_values = infinity_values
self.reduced_homology = reduced_homology
self.max_entries = max_entries
self.n_jobs = n_jobs
def _flagser_diagram(self, X):
Xdgms = [np.empty((0, 2), dtype=float)] * self._min_homology_dimension
Xdgms += flagser_weighted(X, max_edge_weight=self.max_edge_weight,
min_dimension=self._min_homology_dimension,
max_dimension=self._max_homology_dimension,
directed=self.directed,
filtration=self.filtration, coeff=self.coeff,
approximation=self.max_entries)["dgms"]
n_missing_dims = self._max_homology_dimension + 1 - len(Xdgms)
if n_missing_dims:
Xdgms += [np.empty((0, 2), dtype=float)] * n_missing_dims
return Xdgms
[docs] def fit(self, X, y=None):
"""Calculate :attr:`infinity_values_`. Then, return the estimator.
This method is here to implement the usual scikit-learn API and hence
work in pipelines.
Parameters
----------
X : ndarray or list of length n_samples
Input collection of adjacency matrices of weighted directed or
undirected graphs. Can be either a 3D ndarray whose zeroth
dimension has size ``n_samples``, or a list containing
``n_samples`` 2D ndarrays/sparse matrices. In each adjacency
matrix, diagonal elements are vertex weights and off-diagonal
elements are edge weights. It is assumed that a vertex weight
cannot be larger than the weight of the edges it forms. The way
zero values are handled depends on the format of the matrix. If the
matrix is a dense ``numpy.ndarray``, zero values denote
zero-weighted edges. If the matrix is a sparse ``scipy.sparse``
matrix, explicitly stored off-diagonal zeros and all diagonal zeros
denote zero-weighted edges. Off-diagonal values that have not been
explicitly stored are treated by ``scipy.sparse`` as zeros but will
be understood as infinitely-valued edges, i.e., edges absent from
the filtration.
y : None
There is no need for a target in a transformer, yet the pipeline
API requires this parameter.
Returns
-------
self : object
"""
check_point_clouds(X, accept_sparse=True, distance_matrices=True)
validate_params(
self.get_params(), self._hyperparameters, exclude=["n_jobs",
"filtration"])
if self.infinity_values is None:
self.infinity_values_ = self.max_edge_weight
else:
self.infinity_values_ = self.infinity_values
self._homology_dimensions = sorted(self.homology_dimensions)
self._min_homology_dimension = self._homology_dimensions[0]
self._max_homology_dimension = self._homology_dimensions[-1]
return self
[docs] def transform(self, X, y=None):
"""For each adjacency matrix in `X`, compute the relevant persistence
diagram as an array of triples [b, d, q]. Each triple represents a
persistent topological feature in dimension q (belonging to
`homology_dimensions`) which is born at b and dies at d. Only triples
in which b < d are meaningful. Triples in which b and d are equal
("diagonal elements") may be artificially introduced during the
computation for padding purposes, since the number of non-trivial
persistent topological features is typically not constant across
samples. They carry no information and hence should be effectively
ignored by any further computation.
Parameters
----------
X : ndarray or list of length n_samples
Input collection of adjacency matrices of weighted directed or
undirected graphs. Can be either a 3D ndarray whose zeroth
dimension has size ``n_samples``, or a list containing
``n_samples`` 2D ndarrays/sparse matrices. In each adjacency
matrix, diagonal elements are vertex weights and off-diagonal
elements are edges weights. It is assumed that a vertex weight
cannot be larger than the weight of the edges it forms. The way
zero values are handled depends on the format of the matrix. If
the matrix is a dense ``numpy.ndarray``, zero values denote
zero-weighted edges. If the matrix is a sparse ``scipy.sparse``
matrix, explicitly stored off-diagonal zeros and all diagonal zeros
denote zero-weighted edges. Off-diagonal values that have not been
explicitly stored are treated by ``scipy.sparse`` as zeros but will
be understood as infinitely-valued edges, i.e., edges absent from
the filtration.
y : None
There is no need for a target in a transformer, yet the pipeline
API requires this parameter.
Returns
-------
Xt : ndarray of shape (n_samples, n_features, 3)
Array of persistence diagrams computed from the feature arrays or
distance matrices in `X`. ``n_features`` equals
:math:`\\sum_q n_q`, where :math:`n_q` is the maximum number of
topological features in dimension :math:`q` across all samples in
`X`.
"""
check_is_fitted(self)
X = check_point_clouds(X, accept_sparse=True, distance_matrices=True)
Xt = Parallel(n_jobs=self.n_jobs)(
delayed(self._flagser_diagram)(x) for x in X)
Xt = _postprocess_diagrams(
Xt, "flagser", self._homology_dimensions, self.infinity_values_,
self.reduced_homology
)
return Xt
[docs] @staticmethod
def plot(Xt, sample=0, homology_dimensions=None, plotly_params=None):
"""Plot a sample from a collection of persistence diagrams, with
homology in multiple dimensions.
Parameters
----------
Xt : ndarray of shape (n_samples, n_features, 3)
Collection of persistence diagrams, such as returned by
:meth:`transform`.
sample : int, optional, default: ``0``
Index of the sample in `Xt` to be plotted.
homology_dimensions : list, tuple or None, optional, default: ``None``
Which homology dimensions to include in the plot. ``None`` means
plotting all dimensions present in ``Xt[sample]``.
plotly_params : dict or None, optional, default: ``None``
Custom parameters to configure the plotly figure. Allowed keys are
``"traces"`` and ``"layout"``, and the corresponding values should
be dictionaries containing keyword arguments as would be fed to the
:meth:`update_traces` and :meth:`update_layout` methods of
:class:`plotly.graph_objects.Figure`.
Returns
-------
fig : :class:`plotly.graph_objects.Figure` object
Plotly figure.
"""
return plot_diagram(
Xt[sample], homology_dimensions=homology_dimensions,
plotly_params=plotly_params
)
```