peacock-data-public-datasets-idc-cronscript
/
venv
/lib
/python3.10
/site-packages
/sklearn
/manifold
/_spectral_embedding.py
"""Spectral Embedding.""" | |
# Author: Gael Varoquaux <[email protected]> | |
# Wei LI <[email protected]> | |
# License: BSD 3 clause | |
import warnings | |
from numbers import Integral, Real | |
import numpy as np | |
from scipy import sparse | |
from scipy.linalg import eigh | |
from scipy.sparse.csgraph import connected_components | |
from scipy.sparse.linalg import eigsh, lobpcg | |
from ..base import BaseEstimator, _fit_context | |
from ..metrics.pairwise import rbf_kernel | |
from ..neighbors import NearestNeighbors, kneighbors_graph | |
from ..utils import ( | |
check_array, | |
check_random_state, | |
check_symmetric, | |
) | |
from ..utils._arpack import _init_arpack_v0 | |
from ..utils._param_validation import Interval, StrOptions | |
from ..utils.extmath import _deterministic_vector_sign_flip | |
from ..utils.fixes import laplacian as csgraph_laplacian | |
from ..utils.fixes import parse_version, sp_version | |
def _graph_connected_component(graph, node_id): | |
"""Find the largest graph connected components that contains one | |
given node. | |
Parameters | |
---------- | |
graph : array-like of shape (n_samples, n_samples) | |
Adjacency matrix of the graph, non-zero weight means an edge | |
between the nodes. | |
node_id : int | |
The index of the query node of the graph. | |
Returns | |
------- | |
connected_components_matrix : array-like of shape (n_samples,) | |
An array of bool value indicating the indexes of the nodes | |
belonging to the largest connected components of the given query | |
node. | |
""" | |
n_node = graph.shape[0] | |
if sparse.issparse(graph): | |
# speed up row-wise access to boolean connection mask | |
graph = graph.tocsr() | |
connected_nodes = np.zeros(n_node, dtype=bool) | |
nodes_to_explore = np.zeros(n_node, dtype=bool) | |
nodes_to_explore[node_id] = True | |
for _ in range(n_node): | |
last_num_component = connected_nodes.sum() | |
np.logical_or(connected_nodes, nodes_to_explore, out=connected_nodes) | |
if last_num_component >= connected_nodes.sum(): | |
break | |
indices = np.where(nodes_to_explore)[0] | |
nodes_to_explore.fill(False) | |
for i in indices: | |
if sparse.issparse(graph): | |
# scipy not yet implemented 1D sparse slices; can be changed back to | |
# `neighbors = graph[i].toarray().ravel()` once implemented | |
neighbors = graph[[i], :].toarray().ravel() | |
else: | |
neighbors = graph[i] | |
np.logical_or(nodes_to_explore, neighbors, out=nodes_to_explore) | |
return connected_nodes | |
def _graph_is_connected(graph): | |
"""Return whether the graph is connected (True) or Not (False). | |
Parameters | |
---------- | |
graph : {array-like, sparse matrix} of shape (n_samples, n_samples) | |
Adjacency matrix of the graph, non-zero weight means an edge | |
between the nodes. | |
Returns | |
------- | |
is_connected : bool | |
True means the graph is fully connected and False means not. | |
""" | |
if sparse.issparse(graph): | |
# Before Scipy 1.11.3, `connected_components` only supports 32-bit indices. | |
# PR: https://github.com/scipy/scipy/pull/18913 | |
# First integration in 1.11.3: https://github.com/scipy/scipy/pull/19279 | |
# TODO(jjerphan): Once SciPy 1.11.3 is the minimum supported version, use | |
# `accept_large_sparse=True`. | |
accept_large_sparse = sp_version >= parse_version("1.11.3") | |
graph = check_array( | |
graph, accept_sparse=True, accept_large_sparse=accept_large_sparse | |
) | |
# sparse graph, find all the connected components | |
n_connected_components, _ = connected_components(graph) | |
return n_connected_components == 1 | |
else: | |
# dense graph, find all connected components start from node 0 | |
return _graph_connected_component(graph, 0).sum() == graph.shape[0] | |
def _set_diag(laplacian, value, norm_laplacian): | |
"""Set the diagonal of the laplacian matrix and convert it to a | |
sparse format well suited for eigenvalue decomposition. | |
Parameters | |
---------- | |
laplacian : {ndarray, sparse matrix} | |
The graph laplacian. | |
value : float | |
The value of the diagonal. | |
norm_laplacian : bool | |
Whether the value of the diagonal should be changed or not. | |
Returns | |
------- | |
laplacian : {array, sparse matrix} | |
An array of matrix in a form that is well suited to fast | |
eigenvalue decomposition, depending on the band width of the | |
matrix. | |
""" | |
n_nodes = laplacian.shape[0] | |
# We need all entries in the diagonal to values | |
if not sparse.issparse(laplacian): | |
if norm_laplacian: | |
laplacian.flat[:: n_nodes + 1] = value | |
else: | |
laplacian = laplacian.tocoo() | |
if norm_laplacian: | |
diag_idx = laplacian.row == laplacian.col | |
laplacian.data[diag_idx] = value | |
# If the matrix has a small number of diagonals (as in the | |
# case of structured matrices coming from images), the | |
# dia format might be best suited for matvec products: | |
n_diags = np.unique(laplacian.row - laplacian.col).size | |
if n_diags <= 7: | |
# 3 or less outer diagonals on each side | |
laplacian = laplacian.todia() | |
else: | |
# csr has the fastest matvec and is thus best suited to | |
# arpack | |
laplacian = laplacian.tocsr() | |
return laplacian | |
def spectral_embedding( | |
adjacency, | |
*, | |
n_components=8, | |
eigen_solver=None, | |
random_state=None, | |
eigen_tol="auto", | |
norm_laplacian=True, | |
drop_first=True, | |
): | |
"""Project the sample on the first eigenvectors of the graph Laplacian. | |
The adjacency matrix is used to compute a normalized graph Laplacian | |
whose spectrum (especially the eigenvectors associated to the | |
smallest eigenvalues) has an interpretation in terms of minimal | |
number of cuts necessary to split the graph into comparably sized | |
components. | |
This embedding can also 'work' even if the ``adjacency`` variable is | |
not strictly the adjacency matrix of a graph but more generally | |
an affinity or similarity matrix between samples (for instance the | |
heat kernel of a euclidean distance matrix or a k-NN matrix). | |
However care must taken to always make the affinity matrix symmetric | |
so that the eigenvector decomposition works as expected. | |
Note : Laplacian Eigenmaps is the actual algorithm implemented here. | |
Read more in the :ref:`User Guide <spectral_embedding>`. | |
Parameters | |
---------- | |
adjacency : {array-like, sparse graph} of shape (n_samples, n_samples) | |
The adjacency matrix of the graph to embed. | |
n_components : int, default=8 | |
The dimension of the projection subspace. | |
eigen_solver : {'arpack', 'lobpcg', 'amg'}, default=None | |
The eigenvalue decomposition strategy to use. AMG requires pyamg | |
to be installed. It can be faster on very large, sparse problems, | |
but may also lead to instabilities. If None, then ``'arpack'`` is | |
used. | |
random_state : int, RandomState instance or None, default=None | |
A pseudo random number generator used for the initialization | |
of the lobpcg eigen vectors decomposition when `eigen_solver == | |
'amg'`, and for the K-Means initialization. Use an int to make | |
the results deterministic across calls (See | |
:term:`Glossary <random_state>`). | |
.. note:: | |
When using `eigen_solver == 'amg'`, | |
it is necessary to also fix the global numpy seed with | |
`np.random.seed(int)` to get deterministic results. See | |
https://github.com/pyamg/pyamg/issues/139 for further | |
information. | |
eigen_tol : float, default="auto" | |
Stopping criterion for eigendecomposition of the Laplacian matrix. | |
If `eigen_tol="auto"` then the passed tolerance will depend on the | |
`eigen_solver`: | |
- If `eigen_solver="arpack"`, then `eigen_tol=0.0`; | |
- If `eigen_solver="lobpcg"` or `eigen_solver="amg"`, then | |
`eigen_tol=None` which configures the underlying `lobpcg` solver to | |
automatically resolve the value according to their heuristics. See, | |
:func:`scipy.sparse.linalg.lobpcg` for details. | |
Note that when using `eigen_solver="amg"` values of `tol<1e-5` may lead | |
to convergence issues and should be avoided. | |
.. versionadded:: 1.2 | |
Added 'auto' option. | |
norm_laplacian : bool, default=True | |
If True, then compute symmetric normalized Laplacian. | |
drop_first : bool, default=True | |
Whether to drop the first eigenvector. For spectral embedding, this | |
should be True as the first eigenvector should be constant vector for | |
connected graph, but for spectral clustering, this should be kept as | |
False to retain the first eigenvector. | |
Returns | |
------- | |
embedding : ndarray of shape (n_samples, n_components) | |
The reduced samples. | |
Notes | |
----- | |
Spectral Embedding (Laplacian Eigenmaps) is most useful when the graph | |
has one connected component. If there graph has many components, the first | |
few eigenvectors will simply uncover the connected components of the graph. | |
References | |
---------- | |
* https://en.wikipedia.org/wiki/LOBPCG | |
* :doi:`"Toward the Optimal Preconditioned Eigensolver: Locally Optimal | |
Block Preconditioned Conjugate Gradient Method", | |
Andrew V. Knyazev | |
<10.1137/S1064827500366124>` | |
Examples | |
-------- | |
>>> from sklearn.datasets import load_digits | |
>>> from sklearn.neighbors import kneighbors_graph | |
>>> from sklearn.manifold import spectral_embedding | |
>>> X, _ = load_digits(return_X_y=True) | |
>>> X = X[:100] | |
>>> affinity_matrix = kneighbors_graph( | |
... X, n_neighbors=int(X.shape[0] / 10), include_self=True | |
... ) | |
>>> # make the matrix symmetric | |
>>> affinity_matrix = 0.5 * (affinity_matrix + affinity_matrix.T) | |
>>> embedding = spectral_embedding(affinity_matrix, n_components=2, random_state=42) | |
>>> embedding.shape | |
(100, 2) | |
""" | |
adjacency = check_symmetric(adjacency) | |
if eigen_solver == "amg": | |
try: | |
from pyamg import smoothed_aggregation_solver | |
except ImportError as e: | |
raise ValueError( | |
"The eigen_solver was set to 'amg', but pyamg is not available." | |
) from e | |
if eigen_solver is None: | |
eigen_solver = "arpack" | |
elif eigen_solver not in ("arpack", "lobpcg", "amg"): | |
raise ValueError( | |
"Unknown value for eigen_solver: '%s'." | |
"Should be 'amg', 'arpack', or 'lobpcg'" % eigen_solver | |
) | |
random_state = check_random_state(random_state) | |
n_nodes = adjacency.shape[0] | |
# Whether to drop the first eigenvector | |
if drop_first: | |
n_components = n_components + 1 | |
if not _graph_is_connected(adjacency): | |
warnings.warn( | |
"Graph is not fully connected, spectral embedding may not work as expected." | |
) | |
laplacian, dd = csgraph_laplacian( | |
adjacency, normed=norm_laplacian, return_diag=True | |
) | |
if ( | |
eigen_solver == "arpack" | |
or eigen_solver != "lobpcg" | |
and (not sparse.issparse(laplacian) or n_nodes < 5 * n_components) | |
): | |
# lobpcg used with eigen_solver='amg' has bugs for low number of nodes | |
# for details see the source code in scipy: | |
# https://github.com/scipy/scipy/blob/v0.11.0/scipy/sparse/linalg/eigen | |
# /lobpcg/lobpcg.py#L237 | |
# or matlab: | |
# https://www.mathworks.com/matlabcentral/fileexchange/48-lobpcg-m | |
laplacian = _set_diag(laplacian, 1, norm_laplacian) | |
# Here we'll use shift-invert mode for fast eigenvalues | |
# (see https://docs.scipy.org/doc/scipy/reference/tutorial/arpack.html | |
# for a short explanation of what this means) | |
# Because the normalized Laplacian has eigenvalues between 0 and 2, | |
# I - L has eigenvalues between -1 and 1. ARPACK is most efficient | |
# when finding eigenvalues of largest magnitude (keyword which='LM') | |
# and when these eigenvalues are very large compared to the rest. | |
# For very large, very sparse graphs, I - L can have many, many | |
# eigenvalues very near 1.0. This leads to slow convergence. So | |
# instead, we'll use ARPACK's shift-invert mode, asking for the | |
# eigenvalues near 1.0. This effectively spreads-out the spectrum | |
# near 1.0 and leads to much faster convergence: potentially an | |
# orders-of-magnitude speedup over simply using keyword which='LA' | |
# in standard mode. | |
try: | |
# We are computing the opposite of the laplacian inplace so as | |
# to spare a memory allocation of a possibly very large array | |
tol = 0 if eigen_tol == "auto" else eigen_tol | |
laplacian *= -1 | |
v0 = _init_arpack_v0(laplacian.shape[0], random_state) | |
laplacian = check_array( | |
laplacian, accept_sparse="csr", accept_large_sparse=False | |
) | |
_, diffusion_map = eigsh( | |
laplacian, k=n_components, sigma=1.0, which="LM", tol=tol, v0=v0 | |
) | |
embedding = diffusion_map.T[n_components::-1] | |
if norm_laplacian: | |
# recover u = D^-1/2 x from the eigenvector output x | |
embedding = embedding / dd | |
except RuntimeError: | |
# When submatrices are exactly singular, an LU decomposition | |
# in arpack fails. We fallback to lobpcg | |
eigen_solver = "lobpcg" | |
# Revert the laplacian to its opposite to have lobpcg work | |
laplacian *= -1 | |
elif eigen_solver == "amg": | |
# Use AMG to get a preconditioner and speed up the eigenvalue | |
# problem. | |
if not sparse.issparse(laplacian): | |
warnings.warn("AMG works better for sparse matrices") | |
laplacian = check_array( | |
laplacian, dtype=[np.float64, np.float32], accept_sparse=True | |
) | |
laplacian = _set_diag(laplacian, 1, norm_laplacian) | |
# The Laplacian matrix is always singular, having at least one zero | |
# eigenvalue, corresponding to the trivial eigenvector, which is a | |
# constant. Using a singular matrix for preconditioning may result in | |
# random failures in LOBPCG and is not supported by the existing | |
# theory: | |
# see https://doi.org/10.1007/s10208-015-9297-1 | |
# Shift the Laplacian so its diagononal is not all ones. The shift | |
# does change the eigenpairs however, so we'll feed the shifted | |
# matrix to the solver and afterward set it back to the original. | |
diag_shift = 1e-5 * sparse.eye(laplacian.shape[0]) | |
laplacian += diag_shift | |
if hasattr(sparse, "csr_array") and isinstance(laplacian, sparse.csr_array): | |
# `pyamg` does not work with `csr_array` and we need to convert it to a | |
# `csr_matrix` object. | |
laplacian = sparse.csr_matrix(laplacian) | |
ml = smoothed_aggregation_solver(check_array(laplacian, accept_sparse="csr")) | |
laplacian -= diag_shift | |
M = ml.aspreconditioner() | |
# Create initial approximation X to eigenvectors | |
X = random_state.standard_normal(size=(laplacian.shape[0], n_components + 1)) | |
X[:, 0] = dd.ravel() | |
X = X.astype(laplacian.dtype) | |
tol = None if eigen_tol == "auto" else eigen_tol | |
_, diffusion_map = lobpcg(laplacian, X, M=M, tol=tol, largest=False) | |
embedding = diffusion_map.T | |
if norm_laplacian: | |
# recover u = D^-1/2 x from the eigenvector output x | |
embedding = embedding / dd | |
if embedding.shape[0] == 1: | |
raise ValueError | |
if eigen_solver == "lobpcg": | |
laplacian = check_array( | |
laplacian, dtype=[np.float64, np.float32], accept_sparse=True | |
) | |
if n_nodes < 5 * n_components + 1: | |
# see note above under arpack why lobpcg has problems with small | |
# number of nodes | |
# lobpcg will fallback to eigh, so we short circuit it | |
if sparse.issparse(laplacian): | |
laplacian = laplacian.toarray() | |
_, diffusion_map = eigh(laplacian, check_finite=False) | |
embedding = diffusion_map.T[:n_components] | |
if norm_laplacian: | |
# recover u = D^-1/2 x from the eigenvector output x | |
embedding = embedding / dd | |
else: | |
laplacian = _set_diag(laplacian, 1, norm_laplacian) | |
# We increase the number of eigenvectors requested, as lobpcg | |
# doesn't behave well in low dimension and create initial | |
# approximation X to eigenvectors | |
X = random_state.standard_normal( | |
size=(laplacian.shape[0], n_components + 1) | |
) | |
X[:, 0] = dd.ravel() | |
X = X.astype(laplacian.dtype) | |
tol = None if eigen_tol == "auto" else eigen_tol | |
_, diffusion_map = lobpcg( | |
laplacian, X, tol=tol, largest=False, maxiter=2000 | |
) | |
embedding = diffusion_map.T[:n_components] | |
if norm_laplacian: | |
# recover u = D^-1/2 x from the eigenvector output x | |
embedding = embedding / dd | |
if embedding.shape[0] == 1: | |
raise ValueError | |
embedding = _deterministic_vector_sign_flip(embedding) | |
if drop_first: | |
return embedding[1:n_components].T | |
else: | |
return embedding[:n_components].T | |
class SpectralEmbedding(BaseEstimator): | |
"""Spectral embedding for non-linear dimensionality reduction. | |
Forms an affinity matrix given by the specified function and | |
applies spectral decomposition to the corresponding graph laplacian. | |
The resulting transformation is given by the value of the | |
eigenvectors for each data point. | |
Note : Laplacian Eigenmaps is the actual algorithm implemented here. | |
Read more in the :ref:`User Guide <spectral_embedding>`. | |
Parameters | |
---------- | |
n_components : int, default=2 | |
The dimension of the projected subspace. | |
affinity : {'nearest_neighbors', 'rbf', 'precomputed', \ | |
'precomputed_nearest_neighbors'} or callable, \ | |
default='nearest_neighbors' | |
How to construct the affinity matrix. | |
- 'nearest_neighbors' : construct the affinity matrix by computing a | |
graph of nearest neighbors. | |
- 'rbf' : construct the affinity matrix by computing a radial basis | |
function (RBF) kernel. | |
- 'precomputed' : interpret ``X`` as a precomputed affinity matrix. | |
- 'precomputed_nearest_neighbors' : interpret ``X`` as a sparse graph | |
of precomputed nearest neighbors, and constructs the affinity matrix | |
by selecting the ``n_neighbors`` nearest neighbors. | |
- callable : use passed in function as affinity | |
the function takes in data matrix (n_samples, n_features) | |
and return affinity matrix (n_samples, n_samples). | |
gamma : float, default=None | |
Kernel coefficient for rbf kernel. If None, gamma will be set to | |
1/n_features. | |
random_state : int, RandomState instance or None, default=None | |
A pseudo random number generator used for the initialization | |
of the lobpcg eigen vectors decomposition when `eigen_solver == | |
'amg'`, and for the K-Means initialization. Use an int to make | |
the results deterministic across calls (See | |
:term:`Glossary <random_state>`). | |
.. note:: | |
When using `eigen_solver == 'amg'`, | |
it is necessary to also fix the global numpy seed with | |
`np.random.seed(int)` to get deterministic results. See | |
https://github.com/pyamg/pyamg/issues/139 for further | |
information. | |
eigen_solver : {'arpack', 'lobpcg', 'amg'}, default=None | |
The eigenvalue decomposition strategy to use. AMG requires pyamg | |
to be installed. It can be faster on very large, sparse problems. | |
If None, then ``'arpack'`` is used. | |
eigen_tol : float, default="auto" | |
Stopping criterion for eigendecomposition of the Laplacian matrix. | |
If `eigen_tol="auto"` then the passed tolerance will depend on the | |
`eigen_solver`: | |
- If `eigen_solver="arpack"`, then `eigen_tol=0.0`; | |
- If `eigen_solver="lobpcg"` or `eigen_solver="amg"`, then | |
`eigen_tol=None` which configures the underlying `lobpcg` solver to | |
automatically resolve the value according to their heuristics. See, | |
:func:`scipy.sparse.linalg.lobpcg` for details. | |
Note that when using `eigen_solver="lobpcg"` or `eigen_solver="amg"` | |
values of `tol<1e-5` may lead to convergence issues and should be | |
avoided. | |
.. versionadded:: 1.2 | |
n_neighbors : int, default=None | |
Number of nearest neighbors for nearest_neighbors graph building. | |
If None, n_neighbors will be set to max(n_samples/10, 1). | |
n_jobs : int, default=None | |
The number of parallel jobs to run. | |
``None`` means 1 unless in a :obj:`joblib.parallel_backend` context. | |
``-1`` means using all processors. See :term:`Glossary <n_jobs>` | |
for more details. | |
Attributes | |
---------- | |
embedding_ : ndarray of shape (n_samples, n_components) | |
Spectral embedding of the training matrix. | |
affinity_matrix_ : ndarray of shape (n_samples, n_samples) | |
Affinity_matrix constructed from samples or precomputed. | |
n_features_in_ : int | |
Number of features seen during :term:`fit`. | |
.. versionadded:: 0.24 | |
feature_names_in_ : ndarray of shape (`n_features_in_`,) | |
Names of features seen during :term:`fit`. Defined only when `X` | |
has feature names that are all strings. | |
.. versionadded:: 1.0 | |
n_neighbors_ : int | |
Number of nearest neighbors effectively used. | |
See Also | |
-------- | |
Isomap : Non-linear dimensionality reduction through Isometric Mapping. | |
References | |
---------- | |
- :doi:`A Tutorial on Spectral Clustering, 2007 | |
Ulrike von Luxburg | |
<10.1007/s11222-007-9033-z>` | |
- `On Spectral Clustering: Analysis and an algorithm, 2001 | |
Andrew Y. Ng, Michael I. Jordan, Yair Weiss | |
<https://citeseerx.ist.psu.edu/doc_view/pid/796c5d6336fc52aa84db575fb821c78918b65f58>`_ | |
- :doi:`Normalized cuts and image segmentation, 2000 | |
Jianbo Shi, Jitendra Malik | |
<10.1109/34.868688>` | |
Examples | |
-------- | |
>>> from sklearn.datasets import load_digits | |
>>> from sklearn.manifold import SpectralEmbedding | |
>>> X, _ = load_digits(return_X_y=True) | |
>>> X.shape | |
(1797, 64) | |
>>> embedding = SpectralEmbedding(n_components=2) | |
>>> X_transformed = embedding.fit_transform(X[:100]) | |
>>> X_transformed.shape | |
(100, 2) | |
""" | |
_parameter_constraints: dict = { | |
"n_components": [Interval(Integral, 1, None, closed="left")], | |
"affinity": [ | |
StrOptions( | |
{ | |
"nearest_neighbors", | |
"rbf", | |
"precomputed", | |
"precomputed_nearest_neighbors", | |
}, | |
), | |
callable, | |
], | |
"gamma": [Interval(Real, 0, None, closed="left"), None], | |
"random_state": ["random_state"], | |
"eigen_solver": [StrOptions({"arpack", "lobpcg", "amg"}), None], | |
"eigen_tol": [Interval(Real, 0, None, closed="left"), StrOptions({"auto"})], | |
"n_neighbors": [Interval(Integral, 1, None, closed="left"), None], | |
"n_jobs": [None, Integral], | |
} | |
def __init__( | |
self, | |
n_components=2, | |
*, | |
affinity="nearest_neighbors", | |
gamma=None, | |
random_state=None, | |
eigen_solver=None, | |
eigen_tol="auto", | |
n_neighbors=None, | |
n_jobs=None, | |
): | |
self.n_components = n_components | |
self.affinity = affinity | |
self.gamma = gamma | |
self.random_state = random_state | |
self.eigen_solver = eigen_solver | |
self.eigen_tol = eigen_tol | |
self.n_neighbors = n_neighbors | |
self.n_jobs = n_jobs | |
def _more_tags(self): | |
return { | |
"pairwise": self.affinity in [ | |
"precomputed", | |
"precomputed_nearest_neighbors", | |
] | |
} | |
def _get_affinity_matrix(self, X, Y=None): | |
"""Calculate the affinity matrix from data | |
Parameters | |
---------- | |
X : array-like of shape (n_samples, n_features) | |
Training vector, where `n_samples` is the number of samples | |
and `n_features` is the number of features. | |
If affinity is "precomputed" | |
X : array-like of shape (n_samples, n_samples), | |
Interpret X as precomputed adjacency graph computed from | |
samples. | |
Y: Ignored | |
Returns | |
------- | |
affinity_matrix of shape (n_samples, n_samples) | |
""" | |
if self.affinity == "precomputed": | |
self.affinity_matrix_ = X | |
return self.affinity_matrix_ | |
if self.affinity == "precomputed_nearest_neighbors": | |
estimator = NearestNeighbors( | |
n_neighbors=self.n_neighbors, n_jobs=self.n_jobs, metric="precomputed" | |
).fit(X) | |
connectivity = estimator.kneighbors_graph(X=X, mode="connectivity") | |
self.affinity_matrix_ = 0.5 * (connectivity + connectivity.T) | |
return self.affinity_matrix_ | |
if self.affinity == "nearest_neighbors": | |
if sparse.issparse(X): | |
warnings.warn( | |
"Nearest neighbors affinity currently does " | |
"not support sparse input, falling back to " | |
"rbf affinity" | |
) | |
self.affinity = "rbf" | |
else: | |
self.n_neighbors_ = ( | |
self.n_neighbors | |
if self.n_neighbors is not None | |
else max(int(X.shape[0] / 10), 1) | |
) | |
self.affinity_matrix_ = kneighbors_graph( | |
X, self.n_neighbors_, include_self=True, n_jobs=self.n_jobs | |
) | |
# currently only symmetric affinity_matrix supported | |
self.affinity_matrix_ = 0.5 * ( | |
self.affinity_matrix_ + self.affinity_matrix_.T | |
) | |
return self.affinity_matrix_ | |
if self.affinity == "rbf": | |
self.gamma_ = self.gamma if self.gamma is not None else 1.0 / X.shape[1] | |
self.affinity_matrix_ = rbf_kernel(X, gamma=self.gamma_) | |
return self.affinity_matrix_ | |
self.affinity_matrix_ = self.affinity(X) | |
return self.affinity_matrix_ | |
def fit(self, X, y=None): | |
"""Fit the model from data in X. | |
Parameters | |
---------- | |
X : {array-like, sparse matrix} of shape (n_samples, n_features) | |
Training vector, where `n_samples` is the number of samples | |
and `n_features` is the number of features. | |
If affinity is "precomputed" | |
X : {array-like, sparse matrix}, shape (n_samples, n_samples), | |
Interpret X as precomputed adjacency graph computed from | |
samples. | |
y : Ignored | |
Not used, present for API consistency by convention. | |
Returns | |
------- | |
self : object | |
Returns the instance itself. | |
""" | |
X = self._validate_data(X, accept_sparse="csr", ensure_min_samples=2) | |
random_state = check_random_state(self.random_state) | |
affinity_matrix = self._get_affinity_matrix(X) | |
self.embedding_ = spectral_embedding( | |
affinity_matrix, | |
n_components=self.n_components, | |
eigen_solver=self.eigen_solver, | |
eigen_tol=self.eigen_tol, | |
random_state=random_state, | |
) | |
return self | |
def fit_transform(self, X, y=None): | |
"""Fit the model from data in X and transform X. | |
Parameters | |
---------- | |
X : {array-like, sparse matrix} of shape (n_samples, n_features) | |
Training vector, where `n_samples` is the number of samples | |
and `n_features` is the number of features. | |
If affinity is "precomputed" | |
X : {array-like, sparse matrix} of shape (n_samples, n_samples), | |
Interpret X as precomputed adjacency graph computed from | |
samples. | |
y : Ignored | |
Not used, present for API consistency by convention. | |
Returns | |
------- | |
X_new : array-like of shape (n_samples, n_components) | |
Spectral embedding of the training matrix. | |
""" | |
self.fit(X) | |
return self.embedding_ | |