我尝试使用AgglomerativeClustering提供的children_属性构建一棵树状图，但是目前没有成功。我不能使用scipy.cluster，因为scipy中提供的凝聚聚类缺少对我来说很重要的一些选项（如指定聚类数量的选项）。如果有任何建议，我会非常感激。
import sklearn.cluster
clstr = cluster.AgglomerativeClustering(n_clusters=2)
clusterer.children_
plot_dendrogram() 函数在这里所做的事情，除了最后一行：https://scikit-learn.org/stable/auto_examples/cluster/plot_agglomerative_dendrogram.html 而最后一行调用的 dendrogram 函数则是从 scipy.cluster.hierarchy 导入的。 - tozCSSsklearn的children_输出转换为可以被ete3读取和理解的Newick Tree格式。此外，我需要手动计算树枝的跨度，因为children_没有提供这些信息。以下是我使用的代码片段。它计算Newick树，然后显示ete3树数据结构。有关如何绘制的更多详细信息，请参见这里。import numpy as np
from sklearn.cluster import AgglomerativeClustering
import ete3
def build_Newick_tree(children,n_leaves,X,leaf_labels,spanner):
"""
build_Newick_tree(children,n_leaves,X,leaf_labels,spanner)
Get a string representation (Newick tree) from the sklearn
AgglomerativeClustering.fit output.
Input:
children: AgglomerativeClustering.children_
n_leaves: AgglomerativeClustering.n_leaves_
X: parameters supplied to AgglomerativeClustering.fit
leaf_labels: The label of each parameter array in X
spanner: Callable that computes the dendrite's span
Output:
ntree: A str with the Newick tree representation
"""
return go_down_tree(children,n_leaves,X,leaf_labels,len(children)+n_leaves-1,spanner)[0]+';'
def go_down_tree(children,n_leaves,X,leaf_labels,nodename,spanner):
"""
go_down_tree(children,n_leaves,X,leaf_labels,nodename,spanner)
Iterative function that traverses the subtree that descends from
nodename and returns the Newick representation of the subtree.
Input:
children: AgglomerativeClustering.children_
n_leaves: AgglomerativeClustering.n_leaves_
X: parameters supplied to AgglomerativeClustering.fit
leaf_labels: The label of each parameter array in X
nodename: An int that is the intermediate node name whos
children are located in children[nodename-n_leaves].
spanner: Callable that computes the dendrite's span
Output:
ntree: A str with the Newick tree representation
"""
nodeindex = nodename-n_leaves
if nodename<n_leaves:
return leaf_labels[nodeindex],np.array([X[nodeindex]])
else:
node_children = children[nodeindex]
branch0,branch0samples = go_down_tree(children,n_leaves,X,leaf_labels,node_children[0])
branch1,branch1samples = go_down_tree(children,n_leaves,X,leaf_labels,node_children[1])
node = np.vstack((branch0samples,branch1samples))
branch0span = spanner(branch0samples)
branch1span = spanner(branch1samples)
nodespan = spanner(node)
branch0distance = nodespan-branch0span
branch1distance = nodespan-branch1span
nodename = '({branch0}:{branch0distance},{branch1}:{branch1distance})'.format(branch0=branch0,branch0distance=branch0distance,branch1=branch1,branch1distance=branch1distance)
return nodename,node
def get_cluster_spanner(aggClusterer):
"""
spanner = get_cluster_spanner(aggClusterer)
Input:
aggClusterer: sklearn.cluster.AgglomerativeClustering instance
Get a callable that computes a given cluster's span. To compute
a cluster's span, call spanner(cluster)
The cluster must be a 2D numpy array, where the axis=0 holds
separate cluster members and the axis=1 holds the different
variables.
"""
if aggClusterer.linkage=='ward':
if aggClusterer.affinity=='euclidean':
spanner = lambda x:np.sum((x-aggClusterer.pooling_func(x,axis=0))**2)
elif aggClusterer.linkage=='complete':
if aggClusterer.affinity=='euclidean':
spanner = lambda x:np.max(np.sum((x[:,None,:]-x[None,:,:])**2,axis=2))
elif aggClusterer.affinity=='l1' or aggClusterer.affinity=='manhattan':
spanner = lambda x:np.max(np.sum(np.abs(x[:,None,:]-x[None,:,:]),axis=2))
elif aggClusterer.affinity=='l2':
spanner = lambda x:np.max(np.sqrt(np.sum((x[:,None,:]-x[None,:,:])**2,axis=2)))
elif aggClusterer.affinity=='cosine':
spanner = lambda x:np.max(np.sum((x[:,None,:]*x[None,:,:]))/(np.sqrt(np.sum(x[:,None,:]*x[:,None,:],axis=2,keepdims=True))*np.sqrt(np.sum(x[None,:,:]*x[None,:,:],axis=2,keepdims=True))))
else:
raise AttributeError('Unknown affinity attribute value {0}.'.format(aggClusterer.affinity))
elif aggClusterer.linkage=='average':
if aggClusterer.affinity=='euclidean':
spanner = lambda x:np.mean(np.sum((x[:,None,:]-x[None,:,:])**2,axis=2))
elif aggClusterer.affinity=='l1' or aggClusterer.affinity=='manhattan':
spanner = lambda x:np.mean(np.sum(np.abs(x[:,None,:]-x[None,:,:]),axis=2))
elif aggClusterer.affinity=='l2':
spanner = lambda x:np.mean(np.sqrt(np.sum((x[:,None,:]-x[None,:,:])**2,axis=2)))
elif aggClusterer.affinity=='cosine':
spanner = lambda x:np.mean(np.sum((x[:,None,:]*x[None,:,:]))/(np.sqrt(np.sum(x[:,None,:]*x[:,None,:],axis=2,keepdims=True))*np.sqrt(np.sum(x[None,:,:]*x[None,:,:],axis=2,keepdims=True))))
else:
raise AttributeError('Unknown affinity attribute value {0}.'.format(aggClusterer.affinity))
else:
raise AttributeError('Unknown linkage attribute value {0}.'.format(aggClusterer.linkage))
return spanner
clusterer = AgglomerativeClustering(n_clusters=2,compute_full_tree=True) # You can set compute_full_tree to 'auto', but I left it this way to get the entire tree plotted
clusterer.fit(X) # X for whatever you want to fit
spanner = get_cluster_spanner(clusterer)
newick_tree = build_Newick_tree(clusterer.children_,clusterer.n_leaves_,X,leaf_labels,spanner) # leaf_labels is a list of labels for each entry in X
tree = ete3.Tree(newick_tree)
tree.show()
对于愿意跳出Python并使用强大的D3库的人来说，使用d3.cluster()（或者，我想说，d3.tree()）API实现一个漂亮且可定制的结果并不是非常困难。
请参见jsfiddle以获取演示。
children_数组幸运地作为JS数组很容易使用，唯一的中间步骤是使用d3.stratify()将其转换为分层表示。具体来说，我们需要每个节点都有一个id和一个parentId：
var N = 272; // Your n_samples/corpus size.
var root = d3.stratify()
.id((d,i) => i + N)
.parentId((d, i) => {
var parIndex = data.findIndex(e => e.includes(i + N));
if (parIndex < 0) {
return; // The root should have an undefined parentId.
}
return parIndex + N;
})(data); // Your children_
由于findIndex行，这里至少会出现O(n^2)的行为，但直到n_samples变得非常大时，这可能并不重要，在这种情况下，您可以预计算更有效的索引。
除此之外，这基本上是使用d3.cluster()的即插即用。请参阅mbostock的canonical block或我的JSFiddle。
N.B. 对于我的用例，仅显示非叶节点就足够了；对于可视化样本/叶子，稍微有些棘手，因为这些可能并不都明确地在children_数组中。
来自官方文档：
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()
distance_threshold参数才会起作用，但是从v0.24开始，您可以通过将compute_distances设置为true来强制计算距离（请参见夜间构建文档）。