# -*- coding: utf-8 -*-
"""Functions for clustering and working with cluster solutions."""
import bct
import numpy as np
from scipy import optimize
from scipy.cluster import hierarchy
from sklearn.utils.validation import check_random_state
def _get_relabels(c1, c2):
"""
Find mapping of labels from `c1` to `c2`.
Parameters
----------
c1, c2 : (N,) array_like
Cluster labels for `N` subjects
Returns
-------
src, tar : numpy.ndarray
Source-target mapping of labels in `c1`
"""
def _match(c1s, c2s):
intersect = len(np.intersect1d(c1s, c2s))
return (len(c1s) - intersect) + (len(c2s) - intersect)
# get unique IDs of clusters in both solutions
ids1, ids2 = np.unique(c1), np.unique(c2)
idxs = np.arange(len(c1))
assignments = np.ones((len(ids1), len(ids2)), dtype=int) * -1
for n, i in enumerate(ids1):
c1s = idxs[c1 == i]
assignments[n] = [_match(c1s, idxs[c2 == f]) for f in ids2]
idx1, idx2 = optimize.linear_sum_assignment(assignments)
return ids1[idx1], ids2[idx2]
[docs]def match_cluster_labels(source, target):
"""
Align cluster labels in `source` to those in `target`.
Uses :func:`scipy.optimize.linear_sum_assignment` to match solutions. If
`source` has fewer clusters than `target` the returned assignments may be
discontinuous (see Examples for more information).
Parameters
----------
source : (N,) array_like
Cluster labels for `N` subjects, to be re-labelled
target : (N,) array_like
Cluster labels for `N` subjects, to which `source` is mapped
Returns
-------
matched : (N,) array_like
Re-labelled `source` with cluster assignments "matched" to `target`
Examples
--------
>>> from netneurotools import cluster
When cluster labels are perfectly matched but e.g., inverted the function
will find a perfect mapping:
>>> a = np.array([1, 1, 1, 0, 0, 0, 0, 0, 0, 0])
>>> b = np.array([0, 0, 0, 1, 1, 1, 1, 1, 1, 1])
>>> cluster.match_cluster_labels(a, b)
array([0, 0, 0, 1, 1, 1, 1, 1, 1, 1])
However, the mapping will work even when cluster assignments between the
two solutions aren't perfectly matched. The function will simply choose a
re-labelling that generates the "best" alignment between labels:
>>> a = np.array([0, 0, 0, 2, 2, 2, 2, 1, 1, 1])
>>> b = np.array([1, 1, 1, 0, 0, 0, 0, 0, 0, 0])
>>> cluster.match_cluster_labels(a, b)
array([1, 1, 1, 0, 0, 0, 0, 2, 2, 2])
If the source assignment has fewer clusters than the target the returned
values may be discontinuous:
>>> cluster.match_cluster_labels(b, a)
array([0, 0, 0, 2, 2, 2, 2, 2, 2, 2])
"""
# try and match the source to target
src, tar = _get_relabels(source, target)
# if there are a different number of clusters then handle elegantly.
# elegantly here means we renumber the clusters so that they start at 1
src_m = np.setdiff1d(np.unique(source), src)
if len(src_m) > 0:
tar_m = np.arange(tar.max() + 1, tar.max() + 1 + len(src_m))
src, tar = np.append(src, src_m), np.append(tar, tar_m)
# now re-label things based on the matched assignments
sidx = src.argsort()
src, tar = src[sidx], tar[sidx]
matched = tar[np.searchsorted(src, source)]
return matched
[docs]def match_assignments(assignments, target=None, seed=None):
"""
Re-label clusters in columns of `assignments` to best match `target`.
Uses :func:`~.cluster.match_cluster_labels` to align cluster assignments.
Parameters
----------
assignments : (N, M) array_like
Array of `M` clustering assignments for `N` subjects
target : (N,) array_like, optional
Target clustering assignments to which all columns should be matched.
If provided as an integer the relevant column in `assignments` will be
selected. If not specified a (semi-)random column in `assignments` is
chosen; because of the potential discontinuity introduced when matching
an N-cluster solution to an N+1-cluster solution, the "random" target
columns will be one `assignments` with the lowest cluster number. See
Examples for more information. Default: None
seed : {int, np.random.RandomState instance, None}, optional
Seed for random number generation; only used if `target` is not
provided. Default: None
Returns
-------
assignments : (N, M) numpy.ndarray
Provided array with re-labeled cluster solutions to better match across
`M` assignments
Examples
--------
>>> from netneurotools import cluster
First we can construct a matrix of `N` samples clustered `M` times (in this
case, `M` is three) . Since cluster labels are generally arbitrary we can
see that, while the same clusters were found each time, they were given
different labels:
>>> assignments = np.array([[0, 0, 1],
... [0, 0, 1],
... [0, 0, 1],
... [1, 2, 0],
... [1, 2, 0],
... [1, 2, 0],
... [2, 1, 2],
... [2, 1, 2]])
We would like to match the assignments so they're all the same. Since one
of the columns will be randomly picked as the "target" solution, we provide
a `seed` to ensure reproducibility in the selection:
>>> cluster.match_assignments(assignments, seed=1234)
array([[1, 1, 1],
[1, 1, 1],
[1, 1, 1],
[0, 0, 0],
[0, 0, 0],
[0, 0, 0],
[2, 2, 2],
[2, 2, 2]])
Alternatively, if `assignments` has clustering solutions with different
numbers of clusters and no `target` is specified, the chosen `target` will
be one of the columns with the smallest number of clusters:
>>> assignments = np.array([[0, 0, 1],
... [0, 0, 1],
... [0, 0, 1],
... [1, 2, 0],
... [1, 2, 0],
... [1, 2, 0],
... [1, 1, 2],
... [1, 1, 2]])
>>> cluster.match_assignments(assignments)
array([[0, 0, 0],
[0, 0, 0],
[0, 0, 0],
[1, 1, 1],
[1, 1, 1],
[1, 1, 1],
[1, 2, 2],
[1, 2, 2]])
"""
assignments = np.asarray(assignments).copy()
# pick a random assignment with the lowest # of clusters as "target"
if target is None:
rs = check_random_state(seed)
cm = assignments.max(axis=0)
mask = cm == cm.min()
target = assignments[:, mask][:, rs.choice(mask.sum())]
# use the specified column of the matrix
elif isinstance(target, int):
target = assignments[:, target]
# assume that target is an iterable we can use (just check the length)
else:
if len(target) != len(assignments):
raise ValueError('Length of target clustering solution must be '
'identical to length of provided array.')
# iterate through all assignments and try and match them to the target
for n, source in enumerate(assignments.T):
assignments[:, n] = match_cluster_labels(source, target)
return assignments
[docs]def reorder_assignments(assignments, consensus=None, col_sort=True,
row_sort=True, return_index=True, seed=None):
"""
Relabel and reorders rows / columns of `assignments` to "look better".
Relabels cluster solutions in `assignments` so that distinct clustering
solutions have similar cluster labels. Then, swaps columns of `assignments`
so that similar clustering solutions are placed near each other. Finally,
swaps rows of `assignments` so that subjects with similar clustering
profiles are placed near each other.
Uses hierarchical clustering to generate re-ordering of columns and rows
Parameters
----------
assignments : (N, M) array_like
Array of `M` clustering assignments for `N` subjects
consensus : (N,) array_like, optional
"Final" clustering solution for `N` subjects. If provided, reordering
of rows will be constrained by cluster assignment. Default: None
{row,col}_sort : bool, optional
If True, sort the {rows, columns}. Default: True
return_index : bool, optional
Whether to return the row and column indices used to re-order
`assignments` in addition to the re-ordered matrix. Default: True
seed : {int, np.random.RandomState instance, None}, optional
Seed for random number generation. Default: None
Returns
-------
reordered : (N, M) numpy.ndarray
Provided array with both rows and columns re-ordered
index : tuple
Indices used to reorder `assignments` to generate `reordered` output
"""
def _reorder_rows(arr):
"""Return indices of rows in `arr` after hierarchical clustering."""
link = hierarchy.linkage(arr, method='average', metric='hamming')
return hierarchy.dendrogram(link, no_plot=True)['leaves']
# first, relabel the columns to try and match across assignments; this will
# make our reordering procedure work a bit better!
assignments = match_assignments(assignments, seed=seed)
if col_sort:
# get max cluster number for each partition
max_cl = assignments.max(axis=0)
# if different assignments have different numbers of detected clusters
if len(np.unique(max_cl)) > 1:
# first sort based on the number of clusters in each assignment
col_idx = max_cl.argsort()
assignments, max_cl = assignments[:, col_idx], max_cl[col_idx]
# then, within assignments with the same number of clusters reorder
# assignments (columns)
reordered, splits = [], np.where(np.diff(max_cl) != 0)[0] + 1
col_idx = np.split(col_idx, splits)
for n, cl in enumerate(np.split(assignments, splits, axis=1)):
idx = _reorder_rows(cl.T)
col_idx[n] = col_idx[n][idx]
reordered += [cl[:, idx]]
col_idx = list(np.hstack(col_idx))
assignments = np.column_stack(reordered)
# otherwise all assignments have same number of detected clusters so
# just sort them all
else:
col_idx = list(_reorder_rows(assignments.T))
assignments = assignments[:, col_idx]
if row_sort:
# if a consensus was provided reorder rows based on cluster assignment
if consensus is not None:
# sort subjects by their cluster assignment in the consensus for
# each cluster, then reorder subjects (rows)
reordered, row_idx = [], []
for cl in np.unique(consensus):
cl, = np.where(consensus == cl)
idx = list(cl[_reorder_rows(assignments[cl])])
reordered += [assignments[idx]]
row_idx += idx
assignments = np.vstack(reordered)
# otherwise, just do a massive reordering of all the rows
else:
row_idx = list(_reorder_rows(assignments))
assignments = assignments[row_idx]
if return_index:
return assignments, np.ix_(row_idx, col_idx)
return assignments
[docs]def find_consensus(assignments, null_func=np.mean, return_agreement=False,
seed=None):
"""
Find consensus clustering labels from cluster solutions in `assignments`.
Parameters
----------
assignments : (N, M) array_like
Array of `M` clustering solutions for `N` samples (e.g., subjects,
nodes, etc). Values of array should be integer-based cluster assignment
labels
null_func : callable, optional
Function used to generate null model when performing consensus-based
clustering. Must accept a 2D array as input and return a single value.
Default: :func:`numpy.mean`
return_agreement : bool, optional
Whether to return the thresholded N x N agreement matrix used in
generating the final consensus clustering solution. Default: False
seed : {int, np.random.RandomState instance, None}, optional
Seed for random number generation. Used when permuting cluster
assignments during generation of null model. Default: None
Returns
-------
consensus : (N,) numpy.ndarray
Consensus cluster labels
References
----------
Bassett, D. S., Porter, M. A., Wymbs, N. F., Grafton, S. T., Carlson,
J. M., & Mucha, P. J. (2013). Robust detection of dynamic community
structure in networks. Chaos: An Interdisciplinary Journal of Nonlinear
Science, 23(1), 013142.
"""
rs = check_random_state(seed)
samp, comm = assignments.shape
# create agreement matrix from input community assignments and convert to
# probability matrix by dividing by `comm`
agreement = bct.clustering.agreement(assignments, buffsz=samp) / comm
# generate null agreement matrix and use to create threshold
null_assign = np.column_stack([rs.permutation(i) for i in assignments.T])
null_agree = bct.clustering.agreement(null_assign, buffsz=samp) / comm
threshold = null_func(null_agree)
# run consensus clustering on agreement matrix after thresholding
consensus = bct.clustering.consensus_und(agreement, threshold, 10)
if return_agreement:
return consensus.astype(int), agreement * (agreement > threshold)
return consensus.astype(int)