我正在尝试绘制一个完全链接的 scipy.cluster.hierarchy.dendrogram，并发现scipy.cluster.hierarchy.linkage比sklearn.AgglomerativeClustering慢。
然而，sklearn.AgglomerativeClustering没有返回聚类之间的距离和原始观测值的数量，而这是scipy.cluster.hierarchy.dendrogram所需要的。有办法取得这些信息吗？
Scikit-learn凝聚聚类链接矩阵
37
- Presian Abarov
2
2你能详细说明一下“较慢”的事情吗？我也曾在scipy中使用过凝聚层次聚类，并发现如果使用内置的距离度量之一，它会相当快。 - Dr. Jan-Philip Gehrcke
这个回答解决了你的问题吗？使用sklearn.AgglomerativeClustering绘制树状图 - Milo Wielondek
5个回答
17
可以做到，但不是很美观。它需要（至少）对
需要注意的几件事：
以下是一个简单的示例，展示如何使用修改后的
这可以与
这给了我以下结果：
根据这个结果，Scikit-Learn的实现需要0.88倍于SciPy实现的执行时间，即SciPy的实现速度更快1.14倍。需要注意的是：
AgglomerativeClustering.fit进行小幅改写（source）。难点在于该方法需要一些导入，因此看起来有些混乱。要添加此功能：
- 在第748行后插入以下行：
kwargs['return_distance'] = True
将第752行替换为：
self.children_，self.n_components_，self.n_leaves_，parents，self.distance = \
distance，您可以轻松调用。需要注意的几件事：
在此过程中，我遇到了关于第711行的
check_array函数的this问题。可以通过使用check_arrays（from sklearn.utils.validation import check_arrays）来解决这个问题。您可以修改该行以变成X = check_arrays(X)[0]。这似乎是一个错误（我仍然在最新版本的scikit-learn上遇到了这个问题）。根据您拥有的
sklearn.cluster.hierarchical.linkage_tree版本不同，您可能还需要将其修改为source中提供的版本。
为了让每个人都更容易，以下是您需要使用的完整代码：
from heapq import heapify, heappop, heappush, heappushpop
import warnings
import sys
import numpy as np
from scipy import sparse
from sklearn.base import BaseEstimator, ClusterMixin
from sklearn.externals.joblib import Memory
from sklearn.externals import six
from sklearn.utils.validation import check_arrays
from sklearn.utils.sparsetools import connected_components
from sklearn.cluster import _hierarchical
from sklearn.cluster.hierarchical import ward_tree
from sklearn.cluster._feature_agglomeration import AgglomerationTransform
from sklearn.utils.fast_dict import IntFloatDict
def _fix_connectivity(X, connectivity, n_components=None,
affinity="euclidean"):
"""
Fixes the connectivity matrix
- copies it
- makes it symmetric
- converts it to LIL if necessary
- completes it if necessary
"""
n_samples = X.shape[0]
if (connectivity.shape[0] != n_samples or
connectivity.shape[1] != n_samples):
raise ValueError('Wrong shape for connectivity matrix: %s '
'when X is %s' % (connectivity.shape, X.shape))
# Make the connectivity matrix symmetric:
connectivity = connectivity + connectivity.T
# Convert connectivity matrix to LIL
if not sparse.isspmatrix_lil(connectivity):
if not sparse.isspmatrix(connectivity):
connectivity = sparse.lil_matrix(connectivity)
else:
connectivity = connectivity.tolil()
# Compute the number of nodes
n_components, labels = connected_components(connectivity)
if n_components > 1:
warnings.warn("the number of connected components of the "
"connectivity matrix is %d > 1. Completing it to avoid "
"stopping the tree early." % n_components,
stacklevel=2)
# XXX: Can we do without completing the matrix?
for i in xrange(n_components):
idx_i = np.where(labels == i)[0]
Xi = X[idx_i]
for j in xrange(i):
idx_j = np.where(labels == j)[0]
Xj = X[idx_j]
D = pairwise_distances(Xi, Xj, metric=affinity)
ii, jj = np.where(D == np.min(D))
ii = ii[0]
jj = jj[0]
connectivity[idx_i[ii], idx_j[jj]] = True
connectivity[idx_j[jj], idx_i[ii]] = True
return connectivity, n_components
# average and complete linkage
def linkage_tree(X, connectivity=None, n_components=None,
n_clusters=None, linkage='complete', affinity="euclidean",
return_distance=False):
"""Linkage agglomerative clustering based on a Feature matrix.
The inertia matrix uses a Heapq-based representation.
This is the structured version, that takes into account some topological
structure between samples.
Parameters
----------
X : array, shape (n_samples, n_features)
feature matrix representing n_samples samples to be clustered
connectivity : sparse matrix (optional).
connectivity matrix. Defines for each sample the neighboring samples
following a given structure of the data. The matrix is assumed to
be symmetric and only the upper triangular half is used.
Default is None, i.e, the Ward algorithm is unstructured.
n_components : int (optional)
Number of connected components. If None the number of connected
components is estimated from the connectivity matrix.
NOTE: This parameter is now directly determined directly
from the connectivity matrix and will be removed in 0.18
n_clusters : int (optional)
Stop early the construction of the tree at n_clusters. This is
useful to decrease computation time if the number of clusters is
not small compared to the number of samples. In this case, the
complete tree is not computed, thus the 'children' output is of
limited use, and the 'parents' output should rather be used.
This option is valid only when specifying a connectivity matrix.
linkage : {"average", "complete"}, optional, default: "complete"
Which linkage critera to use. The linkage criterion determines which
distance to use between sets of observation.
- average uses the average of the distances of each observation of
the two sets
- complete or maximum linkage uses the maximum distances between
all observations of the two sets.
affinity : string or callable, optional, default: "euclidean".
which metric to use. Can be "euclidean", "manhattan", or any
distance know to paired distance (see metric.pairwise)
return_distance : bool, default False
whether or not to return the distances between the clusters.
Returns
-------
children : 2D array, shape (n_nodes-1, 2)
The children of each non-leaf node. Values less than `n_samples`
correspond to leaves of the tree which are the original samples.
A node `i` greater than or equal to `n_samples` is a non-leaf
node and has children `children_[i - n_samples]`. Alternatively
at the i-th iteration, children[i][0] and children[i][1]
are merged to form node `n_samples + i`
n_components : int
The number of connected components in the graph.
n_leaves : int
The number of leaves in the tree.
parents : 1D array, shape (n_nodes, ) or None
The parent of each node. Only returned when a connectivity matrix
is specified, elsewhere 'None' is returned.
distances : ndarray, shape (n_nodes-1,)
Returned when return_distance is set to True.
distances[i] refers to the distance between children[i][0] and
children[i][1] when they are merged.
See also
--------
ward_tree : hierarchical clustering with ward linkage
"""
X = np.asarray(X)
if X.ndim == 1:
X = np.reshape(X, (-1, 1))
n_samples, n_features = X.shape
linkage_choices = {'complete': _hierarchical.max_merge,
'average': _hierarchical.average_merge,
}
try:
join_func = linkage_choices[linkage]
except KeyError:
raise ValueError(
'Unknown linkage option, linkage should be one '
'of %s, but %s was given' % (linkage_choices.keys(), linkage))
if connectivity is None:
from scipy.cluster import hierarchy # imports PIL
if n_clusters is not None:
warnings.warn('Partial build of the tree is implemented '
'only for structured clustering (i.e. with '
'explicit connectivity). The algorithm '
'will build the full tree and only '
'retain the lower branches required '
'for the specified number of clusters',
stacklevel=2)
if affinity == 'precomputed':
# for the linkage function of hierarchy to work on precomputed
# data, provide as first argument an ndarray of the shape returned
# by pdist: it is a flat array containing the upper triangular of
# the distance matrix.
i, j = np.triu_indices(X.shape[0], k=1)
X = X[i, j]
elif affinity == 'l2':
# Translate to something understood by scipy
affinity = 'euclidean'
elif affinity in ('l1', 'manhattan'):
affinity = 'cityblock'
elif callable(affinity):
X = affinity(X)
i, j = np.triu_indices(X.shape[0], k=1)
X = X[i, j]
out = hierarchy.linkage(X, method=linkage, metric=affinity)
children_ = out[:, :2].astype(np.int)
if return_distance:
distances = out[:, 2]
return children_, 1, n_samples, None, distances
return children_, 1, n_samples, None
if n_components is not None:
warnings.warn(
"n_components is now directly calculated from the connectivity "
"matrix and will be removed in 0.18",
DeprecationWarning)
connectivity, n_components = _fix_connectivity(X, connectivity)
connectivity = connectivity.tocoo()
# Put the diagonal to zero
diag_mask = (connectivity.row != connectivity.col)
connectivity.row = connectivity.row[diag_mask]
connectivity.col = connectivity.col[diag_mask]
connectivity.data = connectivity.data[diag_mask]
del diag_mask
if affinity == 'precomputed':
distances = X[connectivity.row, connectivity.col]
else:
# FIXME We compute all the distances, while we could have only computed
# the "interesting" distances
distances = paired_distances(X[connectivity.row],
X[connectivity.col],
metric=affinity)
connectivity.data = distances
if n_clusters is None:
n_nodes = 2 * n_samples - 1
else:
assert n_clusters <= n_samples
n_nodes = 2 * n_samples - n_clusters
if return_distance:
distances = np.empty(n_nodes - n_samples)
# create inertia heap and connection matrix
A = np.empty(n_nodes, dtype=object)
inertia = list()
# LIL seems to the best format to access the rows quickly,
# without the numpy overhead of slicing CSR indices and data.
connectivity = connectivity.tolil()
# We are storing the graph in a list of IntFloatDict
for ind, (data, row) in enumerate(zip(connectivity.data,
connectivity.rows)):
A[ind] = IntFloatDict(np.asarray(row, dtype=np.intp),
np.asarray(data, dtype=np.float64))
# We keep only the upper triangular for the heap
# Generator expressions are faster than arrays on the following
inertia.extend(_hierarchical.WeightedEdge(d, ind, r)
for r, d in zip(row, data) if r < ind)
del connectivity
heapify(inertia)
# prepare the main fields
parent = np.arange(n_nodes, dtype=np.intp)
used_node = np.ones(n_nodes, dtype=np.intp)
children = []
# recursive merge loop
for k in xrange(n_samples, n_nodes):
# identify the merge
while True:
edge = heappop(inertia)
if used_node[edge.a] and used_node[edge.b]:
break
i = edge.a
j = edge.b
if return_distance:
# store distances
distances[k - n_samples] = edge.weight
parent[i] = parent[j] = k
children.append((i, j))
# Keep track of the number of elements per cluster
n_i = used_node[i]
n_j = used_node[j]
used_node[k] = n_i + n_j
used_node[i] = used_node[j] = False
# update the structure matrix A and the inertia matrix
# a clever 'min', or 'max' operation between A[i] and A[j]
coord_col = join_func(A[i], A[j], used_node, n_i, n_j)
for l, d in coord_col:
A[l].append(k, d)
# Here we use the information from coord_col (containing the
# distances) to update the heap
heappush(inertia, _hierarchical.WeightedEdge(d, k, l))
A[k] = coord_col
# Clear A[i] and A[j] to save memory
A[i] = A[j] = 0
# Separate leaves in children (empty lists up to now)
n_leaves = n_samples
# # return numpy array for efficient caching
children = np.array(children)[:, ::-1]
if return_distance:
return children, n_components, n_leaves, parent, distances
return children, n_components, n_leaves, parent
# Matching names to tree-building strategies
def _complete_linkage(*args, **kwargs):
kwargs['linkage'] = 'complete'
return linkage_tree(*args, **kwargs)
def _average_linkage(*args, **kwargs):
kwargs['linkage'] = 'average'
return linkage_tree(*args, **kwargs)
_TREE_BUILDERS = dict(
ward=ward_tree,
complete=_complete_linkage,
average=_average_linkage,
)
def _hc_cut(n_clusters, children, n_leaves):
"""Function cutting the ward tree for a given number of clusters.
Parameters
----------
n_clusters : int or ndarray
The number of clusters to form.
children : list of pairs. Length of n_nodes
The children of each non-leaf node. Values less than `n_samples` refer
to leaves of the tree. A greater value `i` indicates a node with
children `children[i - n_samples]`.
n_leaves : int
Number of leaves of the tree.
Returns
-------
labels : array [n_samples]
cluster labels for each point
"""
if n_clusters > n_leaves:
raise ValueError('Cannot extract more clusters than samples: '
'%s clusters where given for a tree with %s leaves.'
% (n_clusters, n_leaves))
# In this function, we store nodes as a heap to avoid recomputing
# the max of the nodes: the first element is always the smallest
# We use negated indices as heaps work on smallest elements, and we
# are interested in largest elements
# children[-1] is the root of the tree
nodes = [-(max(children[-1]) + 1)]
for i in xrange(n_clusters - 1):
# As we have a heap, nodes[0] is the smallest element
these_children = children[-nodes[0] - n_leaves]
# Insert the 2 children and remove the largest node
heappush(nodes, -these_children[0])
heappushpop(nodes, -these_children[1])
label = np.zeros(n_leaves, dtype=np.intp)
for i, node in enumerate(nodes):
label[_hierarchical._hc_get_descendent(-node, children, n_leaves)] = i
return label
class AgglomerativeClustering(BaseEstimator, ClusterMixin):
"""
Agglomerative Clustering
Recursively merges the pair of clusters that minimally increases
a given linkage distance.
Parameters
----------
n_clusters : int, default=2
The number of clusters to find.
connectivity : array-like or callable, optional
Connectivity matrix. Defines for each sample the neighboring
samples following a given structure of the data.
This can be a connectivity matrix itself or a callable that transforms
the data into a connectivity matrix, such as derived from
kneighbors_graph. Default is None, i.e, the
hierarchical clustering algorithm is unstructured.
affinity : string or callable, default: "euclidean"
Metric used to compute the linkage. Can be "euclidean", "l1", "l2",
"manhattan", "cosine", or 'precomputed'.
If linkage is "ward", only "euclidean" is accepted.
memory : Instance of joblib.Memory or string (optional)
Used to cache the output of the computation of the tree.
By default, no caching is done. If a string is given, it is the
path to the caching directory.
n_components : int (optional)
Number of connected components. If None the number of connected
components is estimated from the connectivity matrix.
NOTE: This parameter is now directly determined from the connectivity
matrix and will be removed in 0.18
compute_full_tree : bool or 'auto' (optional)
Stop early the construction of the tree at n_clusters. This is
useful to decrease computation time if the number of clusters is
not small compared to the number of samples. This option is
useful only when specifying a connectivity matrix. Note also that
when varying the number of clusters and using caching, it may
be advantageous to compute the full tree.
linkage : {"ward", "complete", "average"}, optional, default: "ward"
Which linkage criterion to use. The linkage criterion determines which
distance to use between sets of observation. The algorithm will merge
the pairs of cluster that minimize this criterion.
- ward minimizes the variance of the clusters being merged.
- average uses the average of the distances of each observation of
the two sets.
- complete or maximum linkage uses the maximum distances between
all observations of the two sets.
pooling_func : callable, default=np.mean
This combines the values of agglomerated features into a single
value, and should accept an array of shape [M, N] and the keyword
argument ``axis=1``, and reduce it to an array of size [M].
Attributes
----------
labels_ : array [n_samples]
cluster labels for each point
n_leaves_ : int
Number of leaves in the hierarchical tree.
n_components_ : int
The estimated number of connected components in the graph.
children_ : array-like, shape (n_nodes-1, 2)
The children of each non-leaf node. Values less than `n_samples`
correspond to leaves of the tree which are the original samples.
A node `i` greater than or equal to `n_samples` is a non-leaf
node and has children `children_[i - n_samples]`. Alternatively
at the i-th iteration, children[i][0] and children[i][1]
are merged to form node `n_samples + i`
"""
def __init__(self, n_clusters=2, affinity="euclidean",
memory=Memory(cachedir=None, verbose=0),
connectivity=None, n_components=None,
compute_full_tree='auto', linkage='ward',
pooling_func=np.mean):
self.n_clusters = n_clusters
self.memory = memory
self.n_components = n_components
self.connectivity = connectivity
self.compute_full_tree = compute_full_tree
self.linkage = linkage
self.affinity = affinity
self.pooling_func = pooling_func
def fit(self, X, y=None):
"""Fit the hierarchical clustering on the data
Parameters
----------
X : array-like, shape = [n_samples, n_features]
The samples a.k.a. observations.
Returns
-------
self
"""
X = check_arrays(X)[0]
memory = self.memory
if isinstance(memory, six.string_types):
memory = Memory(cachedir=memory, verbose=0)
if self.linkage == "ward" and self.affinity != "euclidean":
raise ValueError("%s was provided as affinity. Ward can only "
"work with euclidean distances." %
(self.affinity, ))
if self.linkage not in _TREE_BUILDERS:
raise ValueError("Unknown linkage type %s."
"Valid options are %s" % (self.linkage,
_TREE_BUILDERS.keys()))
tree_builder = _TREE_BUILDERS[self.linkage]
connectivity = self.connectivity
if self.connectivity is not None:
if callable(self.connectivity):
connectivity = self.connectivity(X)
connectivity = check_arrays(
connectivity, accept_sparse=['csr', 'coo', 'lil'])
n_samples = len(X)
compute_full_tree = self.compute_full_tree
if self.connectivity is None:
compute_full_tree = True
if compute_full_tree == 'auto':
# Early stopping is likely to give a speed up only for
# a large number of clusters. The actual threshold
# implemented here is heuristic
compute_full_tree = self.n_clusters < max(100, .02 * n_samples)
n_clusters = self.n_clusters
if compute_full_tree:
n_clusters = None
# Construct the tree
kwargs = {}
kwargs['return_distance'] = True
if self.linkage != 'ward':
kwargs['linkage'] = self.linkage
kwargs['affinity'] = self.affinity
self.children_, self.n_components_, self.n_leaves_, parents, \
self.distance = memory.cache(tree_builder)(X, connectivity,
n_components=self.n_components,
n_clusters=n_clusters,
**kwargs)
# Cut the tree
if compute_full_tree:
self.labels_ = _hc_cut(self.n_clusters, self.children_,
self.n_leaves_)
else:
labels = _hierarchical.hc_get_heads(parents, copy=False)
# copy to avoid holding a reference on the original array
labels = np.copy(labels[:n_samples])
# Reasign cluster numbers
self.labels_ = np.searchsorted(np.unique(labels), labels)
return self
以下是一个简单的示例，展示如何使用修改后的
AgglomerativeClustering类：import numpy as np
import AgglomerativeClustering # Make sure to use the new one!!!
d = np.array(
[
[1, 2, 3],
[4, 5, 6],
[7, 8, 9]
]
)
clustering = AgglomerativeClustering(n_clusters=2, compute_full_tree=True,
affinity='euclidean', linkage='complete')
clustering.fit(d)
print clustering.distance
该示例的输出如下：
[ 5.19615242 10.39230485]
这可以与
scipy.cluster.hierarchy.linkage 实现进行比较：import numpy as np
from scipy.cluster.hierarchy import linkage
d = np.array(
[
[1, 2, 3],
[4, 5, 6],
[7, 8, 9]
]
)
print linkage(d, 'complete')
输出：
[[ 1. 2. 5.19615242 2. ]
[ 0. 3. 10.39230485 3. ]]
为了好玩，我决定跟进你关于性能的说法：
import AgglomerativeClustering
from scipy.cluster.hierarchy import linkage
import numpy as np
import time
l = 1000; iters = 50
d = [np.random.random(100) for _ in xrange(1000)]
t = time.time()
for _ in xrange(iters):
clustering = AgglomerativeClustering(n_clusters=l-1,
affinity='euclidean', linkage='complete')
clustering.fit(d)
scikit_time = (time.time() - t) / iters
print 'scikit-learn Time: {0}s'.format(scikit_time)
t = time.time()
for _ in xrange(iters):
linkage(d, 'complete')
scipy_time = (time.time() - t) / iters
print 'SciPy Time: {0}s'.format(scipy_time)
print 'scikit-learn Speedup: {0}'.format(scipy_time / scikit_time)
这给了我以下结果：
scikit-learn Time: 0.566560001373s
SciPy Time: 0.497740001678s
scikit-learn Speedup: 0.878530077083
根据这个结果，Scikit-Learn的实现需要0.88倍于SciPy实现的执行时间，即SciPy的实现速度更快1.14倍。需要注意的是：
- 我修改了原始的scikit-learn实现
- 我只做了少量迭代
- 我只测试了少量测试用例（应该测试集群大小和每个维度的项目数量）
- 我先运行了SciPy，因此它在获取更多源数据缓存命中方面具有优势
- 这两种方法并不完全相同。
- James Mnatzaganian
13
我编写了一个脚本，在不修改sklearn和使用递归函数的情况下完成它。在使用之前，请注意：
- 合并距离有时会相对于子节点的合并距离而减小。 我添加了三种处理这些情况的方法：取最大值，什么也不做，或者用l2范数增加。 l2范数逻辑尚未经过验证。 请自行检查哪种方法最适合您。
导入软件包：
from sklearn.cluster import AgglomerativeClustering
import numpy as np
import matplotlib.pyplot as plt
from scipy.cluster.hierarchy import dendrogram
计算权重和距离的函数：
def get_distances(X,model,mode='l2'):
distances = []
weights = []
children=model.children_
dims = (X.shape[1],1)
distCache = {}
weightCache = {}
for childs in children:
c1 = X[childs[0]].reshape(dims)
c2 = X[childs[1]].reshape(dims)
c1Dist = 0
c1W = 1
c2Dist = 0
c2W = 1
if childs[0] in distCache.keys():
c1Dist = distCache[childs[0]]
c1W = weightCache[childs[0]]
if childs[1] in distCache.keys():
c2Dist = distCache[childs[1]]
c2W = weightCache[childs[1]]
d = np.linalg.norm(c1-c2)
cc = ((c1W*c1)+(c2W*c2))/(c1W+c2W)
X = np.vstack((X,cc.T))
newChild_id = X.shape[0]-1
# How to deal with a higher level cluster merge with lower distance:
if mode=='l2': # Increase the higher level cluster size suing an l2 norm
added_dist = (c1Dist**2+c2Dist**2)**0.5
dNew = (d**2 + added_dist**2)**0.5
elif mode == 'max': # If the previrous clusters had higher distance, use that one
dNew = max(d,c1Dist,c2Dist)
elif mode == 'actual': # Plot the actual distance.
dNew = d
wNew = (c1W + c2W)
distCache[newChild_id] = dNew
weightCache[newChild_id] = wNew
distances.append(dNew)
weights.append( wNew)
return distances, weights
制作2个簇的2个子簇的样本数据：
# Make 4 distributions, two of which form a bigger cluster
X1_1 = np.random.randn(25,2)+[8,1.5]
X1_2 = np.random.randn(25,2)+[8,-1.5]
X2_1 = np.random.randn(25,2)-[8,3]
X2_2 = np.random.randn(25,2)-[8,-3]
# Merge the four distributions
X = np.vstack([X1_1,X1_2,X2_1,X2_2])
# Plot the clusters
colors = ['r']*25 + ['b']*25 + ['g']*25 + ['y']*25
plt.scatter(X[:,0],X[:,1],c=colors)
样例数据：
应用聚类模型
model = AgglomerativeClustering(n_clusters=2,linkage="ward")
model.fit(X)
调用该函数以查找距离，并将其传递给树状图
distance, weight = get_distances(X,model)
linkage_matrix = np.column_stack([model.children_, distance, weight]).astype(float)
plt.figure(figsize=(20,10))
dendrogram(linkage_matrix)
plt.show()
输出树状图：
- Arjan Groen
2
很好的解决方案，如果我不得不重新做一遍，我会这样做。 - meyerson
这里是官方文档中的另一种方法 https://scikit-learn.org/stable/auto_examples/cluster/plot_agglomerative_dendrogram.html#sphx-glr-auto-examples-cluster-plot-agglomerative-dendrogram-py - Andrea Citrolo
8
更新：我推荐使用这个解决方案 - https://dev59.com/CV8d5IYBdhLWcg3waxop#47769506，如果您发现我的尝试有用，请查看Arjun的解决方案并重新审视您的投票。
您需要从children_数组生成一个“连接矩阵”，其中连接矩阵中的每一行都具有格式[idx1，idx2，距离，示例计数]。
这不是一种粘贴和运行的解决方案，我没有记录我需要导入什么内容 - 但它应该非常清晰。
以下是一种生成所需结构Z并可视化结果的方法
X是您的n_samples x n_features输入数据
集群
agg_cluster = sklearn.cluster.AgglomerativeClustering(n_clusters=n)
agg_labels = agg_cluster.fit_predict(X)
一些空的数据结构
Z = []
# should really call this cluster dict
node_dict = {}
n_samples = len(X)
编写递归函数以收集与给定聚类相关联的所有叶节点，计算距离和质心位置
def get_all_children(k, verbose=False):
i,j = agg_cluster.children_[k]
if k in node_dict:
return node_dict[k]['children']
if i < leaf_count:
left = [i]
else:
# read the AgglomerativeClustering doc. to see why I select i-n_samples
left = get_all_children(i-n_samples)
if j < leaf_count:
right = [j]
else:
right = get_all_children(j-n_samples)
if verbose:
print k,i,j,left, right
left_pos = np.mean(map(lambda ii: X[ii], left),axis=0)
right_pos = np.mean(map(lambda ii: X[ii], right),axis=0)
# this assumes that agg_cluster used euclidean distances
dist = metrics.pairwise_distances([left_pos,right_pos],metric='euclidean')[0,1]
all_children = [x for y in [left,right] for x in y]
pos = np.mean(map(lambda ii: X[ii], all_children),axis=0)
# store the results to speed up any additional or recursive evaluations
node_dict[k] = {'top_child':[i,j],'children':all_children, 'pos':pos,'dist':dist, 'node_i':k + n_samples}
return all_children
#return node_di|ct
填充node_dict并生成带有节点距离和每个节点样本数的Z
for k,x in enumerate(agg_cluster.children_):
get_all_children(k,verbose=False)
# Every row in the linkage matrix has the format [idx1, idx2, distance, sample_count].
Z = [[v['top_child'][0],v['top_child'][1],v['dist'],len(v['children'])] for k,v in node_dict.iteritems()]
# create a version with log scaled distances for easier visualization
Z_log =[[v['top_child'][0],v['top_child'][1],np.log(1.0+v['dist']),len(v['children'])] for k,v in node_dict.iteritems()]
使用scipy dendrogram绘制它
from scipy.cluster import hierarchy
plt.figure()
dn = hierarchy.dendrogram(Z_log,p=4,truncate_mode='level')
plt.show()
对于这种可视化图，你可能感到失望，因为它的可读性很差，希望您能够交互式地深入研究更大的类群，并检查质心之间的方向距离（不是标量）:( - 也许有一个bokeh解决方案存在？
参考资料
http://docs.scipy.org/doc/scipy/reference/generated/scipy.cluster.hierarchy.dendrogram.html
- meyerson
3
请将以下与编程有关的内容从英语翻译成中文。仅返回翻译后的文本：不要在问题之间复制答案。如果相同的答案确实适用于两个问题，请标记较新的问题为重复。 - miken32
好的 - 将较新的问题标记为重复，并删除了我的回答 - 因此，这个答案不再是多余的。 - meyerson
你在哪里首次定义了leaf_count？ - Arjan Groen
5
我认为sklearn关于AgglomerativeClustering的官方示例会很有帮助。
绘制层次聚类树状图：
import numpy as np
from matplotlib import pyplot as plt
from scipy.cluster.hierarchy import dendrogram
from sklearn.datasets import load_iris
from sklearn.cluster import AgglomerativeClustering
def plot_dendrogram(model, **kwargs):
# Create linkage matrix and then plot the dendrogram
# create the counts of samples under each node
counts = np.zeros(model.children_.shape[0])
n_samples = len(model.labels_)
for i, merge in enumerate(model.children_):
current_count = 0
for child_idx in merge:
if child_idx < n_samples:
current_count += 1 # leaf node
else:
current_count += counts[child_idx - n_samples]
counts[i] = current_count
linkage_matrix = np.column_stack([model.children_, model.distances_,
counts]).astype(float)
# Plot the corresponding dendrogram
dendrogram(linkage_matrix, **kwargs)
iris = load_iris()
X = iris.data
# setting distance_threshold=0 ensures we compute the full tree.
model = AgglomerativeClustering(distance_threshold=0, n_clusters=None)
model = model.fit(X)
plt.title('Hierarchical Clustering Dendrogram')
# plot the top three levels of the dendrogram
plot_dendrogram(model, truncate_mode='level', p=3)
plt.xlabel("Number of points in node (or index of point if no parenthesis).")
plt.show()
NB：此解决方案依赖于distances_变量，而该变量仅在使用distance_threshold参数调用AgglomerativeClustering时才会设置。
- ryh
1
当最初提出这个问题并发布大多数其他答案时，sklearn没有公开距离。现在它已经公开了（https://github.com/scikit-learn/scikit-learn/pull/14526），如此所示，因此这是最新的最佳答案。 - erobertc
1
当我设置n_clusters时，遇到了同样的问题。
我认为问题在于如果你设置了n_clusters，距离就不会被评估。
如果你将n_clusters设置为None，并设置一个distance_threshold，则可以使用sklearn提供的代码解决问题。
我知道这可能对你的情况没有帮助，但我希望有一个解决方案正在进行中。
- sebalzer
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