def snpclust(snp_fn, dist_fn, snpout_fn, clust_fn, thr=0.01):
# read SNP and distance matrix files
snp = pd.read_csv(snp_fn, sep=',', index_col=0)
dist = pd.read_csv(dist_fn, sep=',', index_col=0)
# hierarchical clustering
Z = hierarchy.complete(squareform(dist))
clust_ids = hierarchy.fcluster(Z, t=thr, criterion='distance')
# compute the cluster representatives and build the cluster dictionary
clust = dict()
for ci in np.unique(clust_ids):
idx = np.where(ci == clust_ids)[0]
if idx.shape[0] == 1:
r = dist.index[idx[0]]
clust[r] = [r]
else:
dist_sum = dist.iloc[idx, idx].sum(axis=0)
clust[dist_sum.idxmin()] = dist.index[idx].tolist()
# write the SNP output file containing the medoids only
snp_out = pd.concat((snp["Ref"], snp[clust.keys()]), axis=1)
snp_out.to_csv(snpout_fn, index_label=snp.index.name)
# write the cluster file
with open(clust_fn, 'wb') as clust_handle:
clust_writer = csv.writer(clust_handle,
delimiter='\t',
lineterminator='\n')
for r, ms in clust.items():
for m in ms:
clust_writer.writerow([m, r, "{:.6f}".format(dist.loc[m, r])])
def create_hc2(G,t=1.15):
"""Creates hierarchical cluster of graph G from distance matrix
This return of this function is an argument to create a blockmodel with
nx.quotient_graph...because nx.blockmodel is not supported by networkx v.2.0
----------------------------------------------
INPUT:
G, instaciated networkx graph
t, is the threshold for partition selection, which is arbitrarity set to t=1.15 by default.
OUPUT:
returns list of partition values split on hierarchical cluster"""
path_length = dict(nx.all_pairs_shortest_path_length(G))
dist_matrix = np.zeros((len(G),len(G)))
for u,p in path_length.items():
for v,d in p.items():
dist_matrix[u][v]=d
# Create hierarchical cluster
Y = distance.squareform(dist_matrix)
# Creates HC using farthest point linkage
Z = hierarchy.complete(Y)
# This partition selection
membership = list(hierarchy.fcluster(Z,t=t))
# Create collection of lists for the blockmodel
partition = defaultdict(list)
for n,p in zip(list(range(len(G))), membership):
partition[p].append(n)
return list(partition.values())
def plotSimpleDendogram(df, linkage):
"""
Plot simple dendogram
Parameters:
df (DataFrame): Transposed and Normalize Dataframes that contains sensor data
linkage (str): type of linkage e.g. 'ward', 'average', 'complete', 'single'
"""
plt.figure(figsize=(18, 10))
if linkage == 'average':
likage = average(df)
elif linkage == 'ward':
likage = ward(df)
elif linkage == 'single':
likage = single(df)
elif linkage == 'complete':
likage = complete(df)
dendrogram(likage,
labels=df.index,
orientation='top',
distance_sort='descending',
leaf_rotation=90,
leaf_font_size=12)
plt.show()
def create_correlation_tree(corr_matrix, method="average"):
""" Creates hierarchical clustering (correlation tree)
from a correlation matrix
:param corr_matrix: the correlation matrix
:param method: 'single', 'average', 'fro', or 'complete'
returns: 'link' of the correlation tree, as in scipy"""
# Distance matrix for tree method
if method == "fro":
dist_matrix = np.around(1 - np.power(corr_matrix, 2), decimals=7)
else:
dist_matrix = np.around(1 - np.abs(corr_matrix), decimals=7)
dist_matrix -= np.diagflat(np.diag(dist_matrix))
condensed_dist_matrix = ssd.squareform(dist_matrix)
# Create linkage
if method == "single":
link = hierarchy.single(condensed_dist_matrix)
elif method == "average" or method == "fro":
link = hierarchy.average(condensed_dist_matrix)
elif method == "complete":
link = hierarchy.complete(condensed_dist_matrix)
else:
raise ValueError(
f'Only "single", "complete", "average", "fro" are valid methods, not {method}'
)
return link
def create_hc(G, t=1.0):
"""
Creates hierarchical cluster of graph G from distance matrix
Maksim Tsvetovat ->> Generalized HC pre- and post-processing to work on labelled graphs and return labelled clusters
The threshold value is now parameterized; useful range should be determined experimentally with each dataset
"""
"""Modified from code by Drew Conway"""
## Create a shortest-path distance matrix, while preserving node labels
labels = G.nodes()
path_length = nx.all_pairs_shortest_path_length(G)
distances = numpy.zeros((len(G), len(G)))
i = 0
for u, p in path_length.items():
j = 0
for v, d in p.items():
distances[i][j] = d
distances[j][i] = d
if i == j: distances[i][j] = 0
j += 1
i += 1
# Create hierarchical cluster
Y = distance.squareform(distances)
Z = hierarchy.complete(Y) # Creates HC using farthest point linkage
# This partition selection is arbitrary, for illustrive purposes
membership = list(hierarchy.fcluster(Z, t=t))
# Create collection of lists for blockmodel
partition = defaultdict(list)
for n, p in zip(list(range(len(G))), membership):
partition[p].append(labels[n])
return list(partition.values())
def _cluster_hierarchically(self, designs, verbose=False):
import scipy.spatial.distance as sp_dist
import scipy.cluster.hierarchy as sp_clust
from itertools import combinations
num_designs = len(designs)
if num_designs < 2: return
dist_matrix = self._get_pairwise_distance_matrix(designs)
dist_vector = sp_dist.squareform(dist_matrix)
mean_dist = np.mean(dist_vector)
hierarchy = sp_clust.complete(dist_vector)
clusters = sp_clust.fcluster(hierarchy,
mean_dist,
criterion='distance')
for cluster, design in zip(clusters, designs):
design.sequence_cluster = cluster
if verbose:
import pylab
print("Made {} clusters.".format(len(set(clusters))))
pylab.hist(dist_vector, bins=100)
pylab.axvline(mean_dist)
pylab.show()
def hierarchical_clustering_average(similarity_matrix, linkage_type):
"""
Hierarchical Clustering with custom distance
:return dendrogram from the hierarchical clustering
:param similarity_matrix - matrix with weight function between classes
:param linkage_type - string representing the type of linkage to be applied
"""
if linkage_type == 'average':
hierarc = hierarchy.average(similarity_matrix)
elif linkage_type == 'single':
hierarc = hierarchy.single(similarity_matrix)
elif linkage_type == 'complete':
hierarc = hierarchy.complete(similarity_matrix)
hierarchy.dendrogram(hierarc,
labels=sorted(list(get_all_controller_classes())),
distance_sort='descending')
# Uncomment to see image instead of saving
#plt.show()
###################################################
# Uncomment to save the .png file of the dendrogram
plab.savefig("dendrogram_" + linkage_type + "_2.png",
format="png",
bbox_inches='tight')
# Closes the open pyplot windows so the dendrograms can be redrawn
plt.close('all')
return hierarc, linkage_type
def make_modules(dist, min_dist, obs_ids):
# create linkage matrix using complete linkage
z = complete(dist)
# make tree from linkage matrix with names from dist
tree = TreeNode.from_linkage_matrix(z, obs_ids)
# get all tips so in the end we can check if we are done
all_tips = len([i for i in tree.postorder() if i.is_tip()])
modules = set()
seen = set()
dist = pd.DataFrame(squareform(dist), index=obs_ids, columns=obs_ids)
for node in tree.levelorder():
if node.is_tip():
seen.add(node.name)
else:
tip_names = frozenset(
(i.name for i in node.postorder() if i.is_tip()))
if tip_names.issubset(seen):
continue
dists = (dist.loc[tip1, tip2] > min_dist
for tip1, tip2 in combinations(tip_names, 2))
if any(dists):
continue
else:
modules.add(tip_names)
seen.update(tip_names)
if len(seen) == all_tips:
modules = sorted(modules, key=len, reverse=True)
return modules
raise ValueError("Well, how did I get here?")
def _get_cluster(components, my_inds=None):
if my_inds is None:
my_inds = list(components.keys())
dist = distance.pdist([components[ind] for ind in my_inds])
hcomp = hierarchy.complete(dist)
ll = hierarchy.leaves_list(hcomp)
return ll
def create_hc(G, t=1.0):
"""
Creates hierarchical cluster of graph G from distance matrix
Maksim Tsvetovat ->> Generalized HC pre- and post-processing to work on labelled graphs and return labelled clusters
The threshold value is now parameterized; useful range should be determined experimentally with each dataset
"""
"""Modified from code by Drew Conway"""
## Create a shortest-path distance matrix, while preserving node labels
labels=G.nodes()
path_length=nx.all_pairs_shortest_path_length(G)
distances=numpy.zeros((len(G),len(G)))
i=0
for u,p in path_length.items():
j=0
for v,d in p.items():
distances[i][j]=d
distances[j][i]=d
if i==j: distances[i][j]=0
j+=1
i+=1
# Create hierarchical cluster
Y=distance.squareform(distances)
Z=hierarchy.complete(Y) # Creates HC using farthest point linkage
# This partition selection is arbitrary, for illustrive purposes
membership=list(hierarchy.fcluster(Z,t=t))
# Create collection of lists for blockmodel
partition=defaultdict(list)
for n,p in zip(list(range(len(G))),membership):
partition[p].append(labels[n])
return list(partition.values())
def find_clusters(conn_df, max_dist):
distances = pdist(conn_df[["z", "y", "x"]], "chebyshev")
linkage = hierarchy.complete(distances)
fclusters = hierarchy.fcluster(linkage, max_dist, criterion="distance")
clustered_df = conn_df.copy()
clustered_df["cluster_id"] = fclusters
return clustered_df
def process_hierarchy(inf, h, method):
df = pd.read_csv(inf, header=0, index_col=0)
df = df.fillna(0)
strains = df.index
df = 1 - (df / 100)
df_v = ssd.squareform(
df, force='tovector',
checks=False) # flatten matrix to condensed distance vector
if method == 'single':
li = sch.single(df_v)
elif method == 'complete':
li = sch.complete(df_v)
elif method == 'average':
li = sch.average(df_v)
elif method == 'weighted':
li = sch.weighted(df_v)
else:
print('\nERROR: Please enter a valid clustering method\n')
sys.exit()
hclus = cut_tree(
li, height=h
) # using the height (percent ID as decimal, for example), cluster OFUs from dendrogram
hclus = pd.DataFrame(hclus, index=strains)
hclus.ix[:,
0] += 1 # cut_tree defaults to the first 'cluster' being named "0"; this just bumps all IDs +1
return hclus
def complete_dendogram(similarity_matrix, book_names):
linkage_matrix = complete(
similarity_matrix
) # Define the linkage_matrix using ward clustering pre-computed distances
assignments = fcluster(linkage_matrix, 3, depth=5)
clusters = get_clusters_with_hierarchy(to_tree(linkage_matrix))
return [assignments, clusters]
def hierarchical_cluster(trainx):
""" See the scipy.cluster.hierarchy documentation for the
meanings of entries in T.
The result can be plotted by calling hac.dendrogram(T). """
T = hac.complete(pdist(trainx.T) + .1)
return T
def hierarchical_cluster(trainx):
""" See the scipy.cluster.hierarchy documentation for the
meanings of entries in T.
The result can be plotted by calling hac.dendrogram(T). """
T = hac.complete(pdist(trainx.T) + .1)
return T
def __init__(self, distance_matrix, labels_out):
'''
Constructor
'''
z = hac.complete(distance_matrix)
hac.dendrogram(z, labels=labels_out)
tree = hac.to_tree(z, False)
self.nwk = self.getNewick(tree, "", tree.dist, labels_out)
def custom_dendrogram(label_type='titles', linkage_method='ward'):
"""
Plots a dendogram
uses cosine similarity
:param
label_type: {'titles', 'ids'}
linkage: {'ward', average}
:return: None
"""
# Read data
books = collection_reader.read_books_from_mongo()
documents = collection_reader.extract_corpus(books)
# Labels
if label_type == 'titles':
labels = [
"(" + book["book_id3"] + ") " + book["title"][:25] +
("..." if len(book["title"]) > 25 else "") for book in books
]
else:
labels = ["(" + book["book_id3"] + ")" for book in books]
# Create term-document representation
vectorizer = TfidfVectorizer(min_df=0.1, max_df=0.7, use_idf=True)
X = vectorizer.fit_transform(documents)
# Cosine similarity matrix
dist = 1 - cosine_similarity(X)
# Define the linkage_matrix using ward clustering pre-computed distances
if linkage_method == 'ward':
linkage_matrix = ward(dist)
elif linkage_method == 'average':
linkage_matrix = average(dist)
elif linkage_method == 'complete':
linkage_matrix = complete(dist)
else:
raise Exception("Parameter linkage_method is not recognized!")
# Calculate metrics
# Plot dendrogram
plt.subplots(figsize=(5, 5)) # set size
ax = dendrogram(linkage_matrix, orientation="right", labels=labels)
plt.tick_params(
axis='x', # changes apply to the x-axis
which='both', # both major and minor ticks are affected
bottom='off', # ticks along the bottom edge are off
top='off', # ticks along the top edge are off
labelbottom='off')
print(ax["leaves"])
print(ax["ivl"])
# plt.tight_layout() # show plot with tight layout
plt.show()
def heirarchy_cluster( matrix, threshold_RMSD = 2.0): import scipy.cluster.hierarchy as sp_clust # Complete linkage clustering link_matrix = sp_clust.complete( matrix ) # Make flat clusters at the tree point where distance threshold is met: default RMSD < 2.0 clusters = sp_clust.fcluster( link_matrix, threshold_RMSD, criterion = 'distance' ) return clusters
def order_contigs_by_hc(self):
from scipy.cluster.hierarchy import complete
from scipy.spatial.distance import squareform
from scipy.cluster.hierarchy import dendrogram
g = self.create_contig_graph()
inverse_edge_weights(g)
D = squareform(nx.adjacency_matrix(g).todense())
Z = complete(D)
return dendrogram(Z)['leaves']
def __get_linkage_method(self, method = LinkageMethod.SINGLE):
if method == LinkageMethod.SINGLE:
return single(self.data)
elif method == LinkageMethod.COMPLETE:
return complete(self.data)
elif method == LinkageMethod.AVERAGE:
return average(self.data)
else:
return ward(self.data)
def group_tuples(items=None, val_ind=None, dist_thresh = 0.1, distance_matrix=None,
metric='jaccard', linkage='complete', sp_areas=None):
'''
items: a dict or list of tuples
val_ind: the index of the item of interest within each tuple
'''
if distance_matrix is not None:
if items is not None:
if isinstance(items, dict):
keys = items.keys()
values = items.values()
elif isinstance(items, list):
keys = range(len(items))
if isinstance(items[0], tuple):
values = map(itemgetter(val_ind), items)
else:
values = items
else:
if isinstance(items, dict):
keys = items.keys()
values = items.values()
elif isinstance(items, list):
keys = range(len(items))
if isinstance(items[0], tuple):
values = map(itemgetter(val_ind), items)
else:
values = items
else:
raise Exception('clusters is not the right type')
assert items is not None, 'items must be provided'
distance_matrix = compute_pairwise_distances(values, metric, sp_areas=sp_areas)
if items is None:
assert distance_matrix is not None, 'distance_matrix must be provided.'
if linkage=='complete':
lk = complete(squareform(distance_matrix))
elif linkage=='average':
lk = average(squareform(distance_matrix))
elif linkage=='single':
lk = single(squareform(distance_matrix))
# T = fcluster(lk, 1.15, criterion='inconsistent')
T = fcluster(lk, dist_thresh, criterion='distance')
n_groups = len(set(T))
groups = [None] * n_groups
for group_id in range(n_groups):
groups[group_id] = np.where(T == group_id+1)[0]
index_groups = [[keys[i] for i in g] for g in groups if len(g) > 0]
item_groups = [[items[i] for i in g] for g in groups if len(g) > 0]
return index_groups, item_groups, distance_matrix
def order_contigs_by_hc(self):
from scipy.cluster.hierarchy import complete
from scipy.spatial.distance import squareform
from scipy.cluster.hierarchy import dendrogram
g = self.create_contig_graph()
inverse_edge_weights(g)
D = squareform(nx.adjacency_matrix(g).todense())
Z = complete(D)
return dendrogram(Z)["leaves"]
def klustering():
from sklearn.metrics.pairwise import cosine_similarity
from scipy.cluster.hierarchy import ward, dendrogram, single, complete
import matplotlib.pyplot as plt
import matplotlib as mpl
savepkl = get_id('UPLOAD_VEKTOR', session["nama_vektor"], ".pkl")
with open(savepkl, 'rb') as f:
tfidf_matrix = pickle.load(f)
isifile = session["tmp"]
df = pd.read_csv(isifile,
names=['ID', 'Pertanyaan'],
sep=';',
lineterminator='\r')
dist = 1 - cosine_similarity(tfidf_matrix)
if session["linkage_method"] == 'ward':
linkage_matrix = ward(dist)
elif session["linkage_method"] == 'single':
linkage_matrix = single(dist)
else:
linkage_matrix = complete(dist)
ax = plt.subplots(figsize=(10, 10))
ax = dendrogram(linkage_matrix,
orientation="right",
labels=df['Pertanyaan'].values.astype('U'))
plt.tick_params(\
axis= 'y',
which='both',
bottom='off',
top='off',
labelbottom='off')
plt.tight_layout()
if 'jarak' in request.form:
plt.axvline(float(request.form['jarak']), color='black')
t = datetime.datetime.now().time().strftime('%y%m%d%H%M%S')
fname = ''.join([session['nama_vektor'], "_rev_", t])
pathfile = get_id('UPLOAD_IMAGE_HIRARKI', fname, '.png')
plt.savefig(pathfile, dpi=400)
return jsonify({"link": fname})
pathfile = get_id('UPLOAD_IMAGE_HIRARKI', session['nama_vektor'], '.png')
plt.savefig(pathfile, dpi=400)
return jsonify({'vektor': session['nama_vektor']})
def plotDendogramsLineCharts(df_list, n_rows, n_cols, figsize, linkage):
"""
Plot simple dendogram and line chart side by side
Parameters:
df_list (list of DataFrames): Transposed and Normalize Dataframes that contains sensor data
n_rows (integer): the number of days you want to plot.
n_cols (integer):
figsize (tuple): figure size
linkage (str): type of linkage e.g. 'ward', 'average', 'complete', 'single'
"""
#PLOTTING Dendogram and Line Chart
fig, axes = plt.subplots(nrows=n_rows, ncols=n_cols, figsize=figsize)
fig.subplots_adjust(wspace=.4)
for ax, df in zip(axes, df_list):
#PLOTTING DENDOGRAM
#Compute linkage matrix
if linkage == 'average':
linkage_matrix = average(df)
elif linkage == 'ward':
linkage_matrix = ward(df)
elif linkage == 'single':
linkage_matrix = single(df)
elif linkage == 'complete':
linkage_matrix = complete(df)
#Get dendrogram
dendrogram(linkage_matrix,
ax=ax[0],
labels=df.index,
orientation='left')
ax[0].set_title('Dendogram', fontsize='14')
##PLOTTING LINE CHART
#To plot we need to make columns as sensor rows as data points
df_plot = np.transpose(df)
#Reset index timestamp to change its data type
df_plot.reset_index(inplace=True)
#Change its data type to datatime
df_plot['Timestamp'] = pd.to_datetime(df_plot['Timestamp'])
#Get start date and end date
start_date = str(df_plot['Timestamp'].min())
end_date = str(df_plot['Timestamp'].max())
#make it index again
df_plot.set_index('Timestamp', inplace=True)
ax[1].plot(df_plot)
ax[1].set_title('All Sensors\n {} - {}'.format(start_date, end_date),
fontsize='14')
ax[2].plot(df_plot.iloc[:, 2:])
ax[2].set_title('Temperature & Vibration Sensors\n {} - {}'.format(
start_date, end_date),
fontsize='14')
def part2(computedTFIDF, showDendograms=False):
startTime = time.time()
runningTotalTime=0
print("Executing code for Part 2...\n")
print("Creating and cutting single link clusters...")
singleCluster = single(computedTFIDF.similarityMatrix)
singleClusterCut = cut_tree(singleCluster, n_clusters=[i for i in range(0, computedTFIDF.docCount-1)])
singleClusterTime = round(time.time() - startTime, 3)
runningTotalTime+=singleClusterTime
print("Time: " + str(singleClusterTime) + " seconds")
print("Creating list of single link clusters each document is contained in...")
finalSingleClustering = singleClusterCut[len(singleClusterCut)-1]
documentClusters=createDocumentCluster(finalSingleClustering, computedTFIDF)
singleTrackingTime = round(time.time() - startTime - runningTotalTime, 3)
runningTotalTime+=singleTrackingTime
print("Time: " + str(singleTrackingTime) + " seconds")
print("Writing single link clusters to file...")
writeToFile(documentClusters, 'single.txt')
singleWritingTime = round(time.time() - startTime - runningTotalTime, 3)
runningTotalTime+=singleWritingTime
print("Time: " + str(singleWritingTime) + " seconds")
print("Creating and cutting complete link clusters...")
completeCluster = complete(computedTFIDF.similarityMatrix)
completeClusterCut = cut_tree(completeCluster, n_clusters=[i for i in range(0, computedTFIDF.docCount-1)])
completeClusterTime = round(time.time() - startTime - runningTotalTime, 3)
runningTotalTime+=completeClusterTime
print("Time: " + str(completeClusterTime) + " seconds")
print("Creating list of complete link clusters each document is contained in...")
finalCompleteClustering = completeClusterCut[len(completeClusterCut)-1]
completeDocumentClusters=createDocumentCluster(finalCompleteClustering, computedTFIDF)
completeTrackingTime = round(time.time() - startTime - runningTotalTime, 3)
runningTotalTime+=completeTrackingTime
print("Time: " + str(completeTrackingTime) + " seconds")
print("Writing complete link clusters to file...")
writeToFile(completeDocumentClusters, 'complete.txt')
completeWritingTime = round(time.time() - startTime - runningTotalTime, 3)
runningTotalTime+=completeWritingTime
print("Time: " + str(completeWritingTime) + " seconds")
if showDendograms:
displayDendogram(completeCluster, 'Single')
displayDendogram(completeCluster, 'Complete')
print('\nPart 2 Complete')
print("Execution Time: " + str(round(time.time() - startTime, 3)) + " seconds\n")
return documentClusters, completeDocumentClusters
def group_clusters(clusters=None,
dist_thresh=0.1,
distance_matrix=None,
metric='jaccard',
linkage='complete'):
if distance_matrix is not None:
keys = range(len(distance_matrix))
if clusters is not None:
values = clusters
else:
values = range(len(distance_matrix))
else:
if isinstance(clusters, dict):
keys = clusters.keys()
values = clusters.values()
elif isinstance(clusters, list):
if isinstance(clusters[0], tuple):
keys = [i for i, j in clusters]
values = [j for i, j in clusters]
else:
keys = range(len(clusters))
values = clusters
else:
raise Exception('clusters is not the right type')
if clusters is None:
assert distance_matrix is not None, 'distance_matrix must be provided.'
if distance_matrix is None:
assert clusters is not None, 'clusters must be provided'
distance_matrix = compute_pairwise_distances(values, metric)
if linkage == 'complete':
lk = complete(squareform(distance_matrix))
elif linkage == 'average':
lk = average(squareform(distance_matrix))
elif linkage == 'single':
lk = single(squareform(distance_matrix))
# T = fcluster(lk, 1.15, criterion='inconsistent')
T = fcluster(lk, dist_thresh, criterion='distance')
n_groups = len(set(T))
groups = [None] * n_groups
for group_id in range(n_groups):
groups[group_id] = np.where(T == group_id + 1)[0]
index_groups = [[keys[i] for i in g] for g in groups if len(g) > 0]
res = [[values[i] for i in g] for g in groups if len(g) > 0]
return index_groups, res, distance_matrix
def __apply_cluster_alg(cluster_data=[], alg="kmean", prior_cluster_num=2, t=0.155):
pass
"""clustering"""
if alg == "kmean":
from scipy.cluster.vq import whiten
cluster_data = whiten(cluster_data)
from scipy.cluster.vq import kmeans, vq
centroids, _ = kmeans(cluster_data, prior_cluster_num, iter=250)
idx, dist = vq(cluster_data, centroids)
return idx, prior_cluster_num
elif alg == "spec":
from sklearn import cluster
from sklearn.preprocessing import StandardScaler
X = cluster_data
X = StandardScaler().fit_transform(X)
spectral = cluster.SpectralClustering(n_clusters=prior_cluster_num, eigen_solver="arpack")
spectral.fit(X)
import numpy as N
idx = spectral.labels_.astype(N.int)
return idx, prior_cluster_num
else:
"""hierarchical clustering
http://docs.scipy.org/doc/scipy/reference/cluster.hierarchy.html"""
import scipy.cluster.hierarchy as hcluster
"""needs distance matrix:
http://docs.scipy.org/doc/scipy-0.14.0/reference/generated/scipy.spatial.distance.pdist.html"""
import scipy.spatial.distance as dist
distmat = dist.pdist(cluster_data, "minkowski") #'euclidean')
if alg == "hflat":
link = hcluster.linkage(distmat)
elif alg == "hcomp":
link = hcluster.complete(distmat)
elif alg == "hweight":
link = hcluster.weighted(distmat)
elif alg == "havg":
link = hcluster.average(distmat)
idx = hcluster.fcluster(link, t=t, criterion="distance")
import numpy as N
post_cluster_num = len(N.unique(idx))
print "# of channels established:", post_cluster_num
assert post_cluster_num < 64, "number of cluster too large to be biological meaningful"
return idx, post_cluster_num
def diffCluster(matDist, threshold, labels, clusteringType):
if clusteringType == 1:
linkage_matrix = ward(matDist)
elif clusteringType == 2:
linkage_matrix = single(matDist)
elif clusteringType == 3:
linkage_matrix = complete(matDist)
elif clusteringType == 4:
linkage_matrix = average(matDist)
else:
return {}
cluster_labels = fcluster(linkage_matrix, threshold)
clusters_dict = defaultdict(list)
for sent, cluster_id in zip(cluster_labels, labels):
clusters_dict[cluster_id].append(sent)
return clusters_dict
def mock_random_tree(self):
np.random.seed(0)
x = np.random.rand(10)
dm = DistanceMatrix.from_iterable(x, lambda x, y: np.abs(x - y))
lm = complete(dm.condensed_form())
ids = np.arange(len(x)).astype(np.str)
tree = TreeNode.from_linkage_matrix(lm, ids)
# initialize tree with branch length and named internal nodes
for i, n in enumerate(tree.postorder(include_self=True)):
n.length = 1
if not n.is_tip():
n.name = "y%d" % i
return tree
def hierarchical_clustering(dist_matrix, method='complete'):
if method == 'complete':
Z = complete(dist_matrix)
if method == 'single':
Z = single(dist_matrix)
if method == 'average':
Z = average(dist_matrix)
if method == 'ward':
Z = ward(dist_matrix)
fig = plt.figure(figsize=(20, 20))
dn = dendrogram(Z)
plt.title(f"Dendrogram for {method}-linkage with correlation distance")
plt.show()
return Z
def hierarchical_clustering(distance_matrix, method):
if method == 'complete':
Z = complete(distance_matrix)
if method == 'single':
Z = single(distance_matrix)
if method == 'average':
Z = average(distance_matrix)
if method == 'ward':
Z = ward(distance_matrix)
# fig = plt.figure(figsize=(16, 8))
# dn = dendrogram(Z)
# plt.title(f"Dendrogram for {method}-linkage with dtw distance")
# plt.show()
return Z
def pc():
import random
Y=[random.randint(1,30) for x in range(10) ]
print distance.squareform(Y)
Z=hierarchy.complete(Y) # Creates HC using farthest point linkage
# This partition selection is arbitrary, for illustrive purposes
print Z
membership=list(hierarchy.fcluster(Z,1))
# Create collection of lists for blockmodel
print 'membership',membership
partition=defaultdict(list)
for n,p in zip(list(range(10)),membership):
partition[p].append(n)
return list(partition.values())
def group(cls,
project,
results,
threshold=0.0,
use_single_linkage_by_default=False):
"""
Returns dict with groups, where key are group index and values are list of results indices
:param project: Project object used for getting matching score function parameters
:param results: list of results
:param threshold: the comparison between 2 results should be above this threshold to join them in one group
:param use_single_linkage_by_default:
:return: {0: [1,2,3], 1: [4,5], 2: [6]}
"""
num_results = len(results)
if num_results == 0:
raise ValueError(
f'Can\'t group empty results for project {project}')
if num_results == 1:
return {0: [0]}
result_sim = np.zeros((num_results, num_results), dtype=np.float64)
for i in range(num_results):
for j in range(i + 1, num_results):
result_sim[i, j] = Metrics.apply(project,
results[i],
results[j],
symmetric=True)
result_sim = result_sim + result_sim.T
margin = 1.01 * np.max(result_sim)
dists = margin - squareform(result_sim)
if project.agreement_method == project.SINGLE or not project.agreement_method:
linkage_matrix = single(dists)
elif project.agreement_method == project.COMPLETE:
linkage_matrix = complete(dists)
else:
if use_single_linkage_by_default:
linkage_matrix = single(dists)
else:
raise ValueError(
f'Unknown agreement method {project.agreement_method}')
clusters = fcluster(linkage_matrix,
t=margin - threshold,
criterion='distance')
groups = defaultdict(list)
for i, cluster_idx in enumerate(clusters):
groups[cluster_idx].append(i)
return groups
def create_hc(G):
"""Creates hierarchical cluster of graph G from distance matrix"""
path_length = nx.all_pairs_shortest_path_length(G)
distances = numpy.zeros((len(G), len(G)))
for u, p in path_length.items():
for v, d in p.items():
distances[u][v] = d
# Create hierarchical cluster
Y = distance.squareform(distances)
Z = hierarchy.complete(Y) # Creates HC using farthest point linkage
# This partition selection is arbitrary, for illustrive purposes
membership = list(hierarchy.fcluster(Z, t=1.15))
# Create collection of lists for blockmodel
partition = defaultdict(list)
for n, p in zip(list(range(len(G))), membership):
partition[p].append(n)
return list(partition.values())
def create_hc(G):
"""Creates hierarchical cluster of graph G from distance matrix"""
path_length=nx.all_pairs_shortest_path_length(G)
distances=numpy.zeros((len(G),len(G)))
for u,p in path_length.items():
for v,d in p.items():
distances[u][v]=d
# Create hierarchical cluster
Y=distance.squareform(distances)
Z=hierarchy.complete(Y) # Creates HC using farthest point linkage
# This partition selection is arbitrary, for illustrive purposes
membership=list(hierarchy.fcluster(Z,t=1.15))
# Create collection of lists for blockmodel
partition=defaultdict(list)
for n,p in zip(list(range(len(G))),membership):
partition[p].append(n)
return list(partition.values())
def consensus_clustering(consensus, n_components=5):
"""
:param consensus: cells x cells consensus matrix
:param n_components: number of clusters
:return: cells x 1 labels
"""
print 'SC3 Agglomorative hierarchical clustering.'
# condensed distance matrix
cdm = dist.pdist(consensus)
# hierarchical clustering (SC3: complete agglomeration + cutree)
hclust = spc.complete(cdm)
cutree = spc.cut_tree(hclust, n_clusters=n_components)
labels = cutree.reshape(consensus.shape[0])
# Below is the hclust code for the older version, fyi
# hclust = spc.linkage(cdm)
# labels = spc.fcluster(hclust, n_components, criterion='maxclust')
return labels, dist.squareform(cdm)
def consensus_clustering_here(consensus, n_components=5):
"""
:param consensus: cells x cells consensus matrix
:param n_components: number of clusters
:return: cells x 1 labels
"""
# print 'SC3 Agglomorative hierarchical clustering.'
# condensed distance matrix
cdm = dist.pdist(consensus)
# hierarchical clustering (SC3: complete agglomeration + cutree)
hclust = spc.complete(cdm)
cutree = spc.cut_tree(hclust, n_clusters=n_components)
labels = cutree.reshape(consensus.shape[0])
# Below is the hclust code for the older version, fyi
# hclust = spc.linkage(cdm)
# labels = spc.fcluster(hclust, n_components, criterion='maxclust')
return labels
def create_hc(G):
"""Creates hierarchical cluster of graph G from distance matrix"""
path_length = nx.all_pairs_shortest_path_length(G)
distances = numpy.zeros((len(G), len(G)))
# l1 = sorted(path_length.items(),key=lambda x: x[0])
# for u, p in l1:
# l2 = sorted(p.items(),key=lambda x: x[0])
# for v, d in l2:
# x = getIndexOfTuple(l1, 0, u)
# y = getIndexOfTuple(l2, 0, v)
# distances[x][y] = d
for u, p in path_length.items():
for v, d in p.items():
distances[u][v] = d
# Create hierarchical cluster
Y = distance.squareform(distances)
Z = hierarchy.complete(Y) # Creates HC using farthest point linkage
plt.figure(figsize=(25, 10))
plt.title('Hierarchical Clustering Dendrogram')
plt.xlabel('sample index')
plt.ylabel('distance')
hierarchy.dendrogram(
Z,
leaf_rotation=90., # rotates the x axis labels
leaf_font_size=8., # font size for the x axis labels
)
plt.show()
# This partition selection is arbitrary, for illustrive purposes
membership = list(hierarchy.fcluster(Z, t=1.15))
# Create collection of lists for blockmodel
partition = defaultdict(list)
for n, p in zip(list(range(len(G))), membership):
partition[p].append(n)
# [0, 179, 305]
# print "Clustering [0, 179, 305]"
# print l1[0][0], l1[179][0], l1[305][0]
return list(partition.values())
def blockmodel_output(G, t=1.15):
# Makes life easier to have consecutively labeled integer nodes
H = nx.convert_node_labels_to_integers(G, label_attribute='label')
"""Creates hierarchical cluster of graph G from distance matrix"""
# Create distance matrix
path_length = dict(nx.all_pairs_shortest_path_length(H))
distances = np.zeros((len(H), len(H)))
for u, p in path_length.items():
for v, d in p.items():
distances[u][v] = d
# Create hierarchical cluster
Y = distance.squareform(distances)
Z = hierarchy.complete(Y) # Creates HC using farthest point linkage
# This partition selection is arbitrary, for illustrative purposes
membership = list(hierarchy.fcluster(Z, t=t))
# Create collection of lists for blockmodel
partitions = defaultdict(list)
for n, p in zip(list(range(len(G))), membership):
partitions[p].append(n)
# Build blockmodel graph
#BM = nx.blockmodel(H, partitions) # change in nx 2.0
p_values = list(partitions.values())
BM = nx.quotient_graph(H, p_values, relabel=True)
label_dict = dict([(n, H.node[n]['label']) for n in H])
order = [label_dict[item] for sublist in p_values for item in sublist]
nm = nx.to_pandas_dataframe(G)
nm = nm.reindex(index=order)
nm.columns = nm.index
ho = homophily(G, 'type')
output = {
'G': G,
'H': H,
'partitions': partitions,
'BM': BM,
'nm': nm,
'label_dict': label_dict,
'order': order,
'distances': distances
}
output.update(ho)
return output
def create_hc(G):
"""Creates hierarchical cluster of graph G from distance matrix"""
path_length = nx.all_pairs_shortest_path_length(G)
distances = numpy.zeros((len(G), len(G)))
# l1 = sorted(path_length.items(),key=lambda x: x[0])
# for u, p in l1:
# l2 = sorted(p.items(),key=lambda x: x[0])
# for v, d in l2:
# x = getIndexOfTuple(l1, 0, u)
# y = getIndexOfTuple(l2, 0, v)
# distances[x][y] = d
for u, p in path_length.items():
for v, d in p.items():
distances[u][v] = d
# Create hierarchical cluster
Y = distance.squareform(distances)
Z = hierarchy.complete(Y) # Creates HC using farthest point linkage
plt.figure(figsize=(25, 10))
plt.title("Hierarchical Clustering Dendrogram")
plt.xlabel("sample index")
plt.ylabel("distance")
hierarchy.dendrogram(
Z, leaf_rotation=90.0, leaf_font_size=8.0 # rotates the x axis labels # font size for the x axis labels
)
plt.show()
# This partition selection is arbitrary, for illustrive purposes
membership = list(hierarchy.fcluster(Z, t=1.15))
# Create collection of lists for blockmodel
partition = defaultdict(list)
for n, p in zip(list(range(len(G))), membership):
partition[p].append(n)
# [0, 179, 305]
# print "Clustering [0, 179, 305]"
# print l1[0][0], l1[179][0], l1[305][0]
return list(partition.values())
def cluster(distances):
names = list(set(itertools.chain.from_iterable(distances)))
mat = numpy.zeros((len(names), len(names)))
for i, name_i in enumerate(names):
for j, name_j in enumerate(names):
mat[i][j] = distances.get((name_i, name_j)) or distances.get((name_j, name_i)) or 0
condensed = distance.squareform(mat)
linkage_matrix = hierarchy.complete(condensed)
leaves_dict = {}
traverse_tree(hierarchy.to_tree(linkage_matrix), leaves_dict)
print(leaves_dict)
with contextlib.closing(sqlite3.connect('voynich.db')) as connection:
cursor = connection.cursor()
cursor.execute('CREATE TABLE IF NOT EXISTS clusters(name, clusterid)')
cursor.execute('DELETE FROM clusters')
for key, values in leaves_dict.items():
for clusterid in values:
cursor.execute('INSERT INTO clusters(name, clusterid) VALUES (?, ?)',
(names[key], clusterid))
connection.commit()
def do_clustering(types, max_clust):
"""
Helper method for clustering that takes a list of all of the things being
clustered (which are assumed to be binary numbers represented as strings),
and an int representing the maximum number of clusters that are allowed.
Returns: A dictionary mapping cluster ids to lists of numbers that are part
of that cluster.
"""
#Fill in leading zeros to make all numbers same length.
ls = [list(t[t.find("b")+1:]) for t in types]
prepend_zeros_to_lists(ls)
dist_matrix = pdist(ls, weighted_hamming)
clusters = hierarchicalcluster.complete(dist_matrix)
clusters = hierarchicalcluster.fcluster(clusters, max_clust, \
criterion="maxclust")
#Group members of each cluster together
cluster_dict = dict((c, []) for c in set(clusters))
for i in range(len(types)):
cluster_dict[clusters[i]].append(types[i])
return cluster_dict
def CalculateClusterTree(self): fullMatrix = self.GenerateFullMatrix(self.results) dissMatrix = [] labels = fullMatrix.keys() for i in xrange(0, len(labels)): sampleNameI = labels[i] for j in xrange(i+1, len(labels)): sampleNameJ = labels[j] dissMatrix.append(fullMatrix[sampleNameI][sampleNameJ]) # calculate hierarchical cluster tree if self.radioSingleLinkage.GetValue(): linkageMatrix = single(dissMatrix) elif self.radioUPGMA.GetValue(): linkageMatrix = average(dissMatrix) elif self.radioCompleteLinkage.GetValue(): linkageMatrix = complete(dissMatrix) elif self.radioWeighted.GetValue(): linkageMatrix = weighted(dissMatrix) root = to_tree(linkageMatrix) # create Newick string return self.CreateNewickString(root, labels) + ';'
#order = np.argsort(height, kind='mergesort')
#a = a[order]
#b = b[order]
#height = height[order]
if 1:
import pylab as pl
children = np.c_[a, b].astype(np.int)
from sklearn.cluster.hierarchical import _hc_cut, ward_tree
labels = _hc_cut(n_clusters=4, children=children, n_leaves=N)
pl.figure(1)
pl.clf()
pl.scatter(X[:, 0], X[:, 1], c=labels, cmap=pl.cm.spectral)
pl.title('Complete linkage')
if 1:
from scipy.cluster import hierarchy
children_s = hierarchy.complete(X)[:, :2].astype(np.int)
labels_s = _hc_cut(n_clusters=4, children=children_s, n_leaves=N)
import pylab as pl
pl.figure(0)
pl.clf()
pl.scatter(X[:, 0], X[:, 1], c=labels_s, cmap=pl.cm.spectral)
pl.title('Complete linkage (scipy)')
if 0:
pl.figure(2)
pl.clf()
children_w, _, _ = ward_tree(X)
labels_w = _hc_cut(n_clusters=4, children=children_w, n_leaves=N)
pl.scatter(X[:, 0], X[:, 1], c=labels_w, cmap=pl.cm.spectral)
pl.title('Ward')
pl.show()
hclust_model = cluster.AgglomerativeClustering(n_clusters = 2, linkage = 'average')
hclust_model.fit(X)
print('Cluster labels: {}\n'.format(hclust_model.labels_))
hclust_model = cluster.AgglomerativeClustering(n_clusters = 2, linkage = 'complete')
hclust_model.fit(X)
print('Cluster labels: {}\n'.format(hclust_model.labels_))
print '''
*********************************************************************************************************************
scipy: dendrogram
*********************************************************************************************************************
'''
# from: https://github.com/JWarmenhoven/ISLR-python/blob/master/Notebooks/Chapter%2010.ipynb
fig, (ax1,ax2,ax3) = plt.subplots(3,1, figsize=(15,18))
for linkage, cluster, ax in zip([hierarchy.complete(X), hierarchy.average(X), hierarchy.single(X)], ['c1','c2','c3'],
[ax1,ax2,ax3]):
cluster = hierarchy.dendrogram(linkage, ax=ax, color_threshold=0)
ax1.set_title('Complete Linkage')
ax2.set_title('Average Linkage')
ax3.set_title('Single Linkage')
plt.show()
# entries of distance matrix
AB = ds.cdtw(query, zchild[100+index], window, True)
AC = np.array(dist).min()
BC = ds.cdtw(zchild[100+best], zchild[100+index], window, True)
print index, best, AC, AB
# distance matrix
M = np.array([[0, AB, AC], [AB, 0, BC], [AC, BC, 0]])
# label function
L = lambda x: {0: "P", 1: "C", 2: "L"}[int(x)]
# render dendrogram
D = h.dendrogram(h.complete(M), orientation="left", leaf_label_func=L,
link_color_func=lambda k: "b", leaf_font_size=40)
# adjust clipping
pl.axis((-2**10-200, np.max(D["dcoord"])*1.2, 0, 30))
# colors for time signals
C = {"P": "b", "C": "b", "L": "r"}
# list of signals
signals = {"P": query, "C": zchild[100+index], "L": zchild[100+best]}
# plot signals
for offset, label in enumerate(D["ivl"]):
pl.plot(range(-2**10-100, -100),
signals[label]+offset*10+5, c=C[label])
#подготовка данных
niks,cols,data,rec = model.get_data("%s%s.csv" % (worker.CSV_PATH, options.filename) );
logging.info("Prepared %d players and %d colums" % (len(niks), len(cols)) );
logging.info("\nFirstStep");
logging.info("Distance euclidean");
start = time.time();
euclid_data = pdist(data, 'euclidean');
logging.info("Time: %s" % (time.time() - start));
logging.info("Clustering start");
start = time.time();
Z = hierarchy.complete(euclid_data);
worker.hierarchy_draw(Z, niks, 'study_complete_euclid', 0.4);
logging.info("Time complete: %s" % (time.time() - start));
start = time.time();
Z = hierarchy.average(euclid_data);
worker.hierarchy_draw(Z, niks, 'study_average_euclid', 0.25);
logging.info("Time average: %s" % (time.time() - start));
start = time.time();
Z = hierarchy.weighted(euclid_data);
worker.hierarchy_draw(Z, niks, 'study_weighted_euclid', 0.25);
logging.info("Time weighted: %s" % (time.time() - start));
def compute_stability_fold(samples, train, test, method='ward',
max_k=None, stack=False,
stability=True, cv_likelihood=False,
corr_score=None,
ground_truth=None, n_neighbors=1, **kwargs):
"""
General function to compute the stability on a cross-validation fold.
Parameters:
-----------
samples : list of arrays
List of arrays containing the samples to cluster, each
array has shape (n_samples, n_features) in PyMVPA terminology.
We are clustering the features, i.e., the nodes.
train : list or array
Indices for the training set.
test : list or array
Indices for the test set.
method : {'complete', 'gmm', 'kmeans', 'ward'}
Clustering method to use. Default is 'ward'.
max_k : int or None
Maximum k to compute the stability testing, starting from 2. By
default it will compute up to the maximum possible k, i.e.,
the number of points.
stack : bool
Whether to stack or average the datasets. Default is False,
meaning that the datasets are averaged by default.
stability : bool
Whether to compute the stability measure described in Lange et
al., 2004. Default is True.
cv_likelihood : bool
Whether to compute the cross-validated likelihood for mixture
model; only valid if 'gmm' method is used. Default is False.
corr_score : {'pearson','spearman'} or None
Whether to compute the specified type of correlation score.
Default is None.
ground_truth : array or None
Array containing the ground truth of the clustering of the data,
useful to compare stability against ground truth for simulations.
n_neighbors : int
Number of neighbors to use to predict clustering solution on
test set using K-nearest neighbors. Currently used only for
methods `complete` and `ward`. Default is 1.
kwargs : optional
Keyword arguments being passed to the clustering method (only for
'ward' and 'gmm').
Returns:
--------
ks : array
A (max_k-1,) array, where ks[i] is the `k` of the clustering
solution for iteration `i`.
ari : array
A (max_k-1,) array, where ari[i] is the Adjusted Rand Index of the
predicted clustering solution on the test set and the actual
clustering solution of the test set for `k` of ks[i].
ami : array
A (max_k-1,) array, where ari[i] is the Adjusted Mutual
Information of the predicted clustering solution on the test set
and the actual clustering solution of the test set for
`k` of ks[i].
stab : array or None
A (max_k-1,) array, where stab[i] is the stability measure
described in Lange et al., 2004 for `k` of ks[i]. Note that this
measure is the un-normalized one. It will be normalized later in
the process.
likelihood : array or None
If method is 'gmm' and cv_likelihood is True, a
(max_k-1,) array, where likelihood[i] is the cross-validated
likelihood of the GMM clustering solution for `k` of ks[i].
Otherwise returns None.
ari_gt : array or None
If ground_truth is not None, a (max_k-1,) array, where ari_gt[i]
is the Adjusted Rand Index of the predicted clustering solution on
the test set for `k` of ks[i] and the ground truth clusters of the
data.
Otherwise returns None.
ami_gt : array or None
If ground_truth is not None, a (max_k-1,) array, where ami_gt[i]
is the Adjusted Mutual Information of the predicted clustering
solution on the test set for `k` of ks[i] and the ground truth
clusters of the data.
Otherwise returns None.
stab_gt : array or None
If ground_truth is not None, a (max_k-1,) array, where stab_gt[i]
is the stability measure of the predicted clustering
solution on the test set for `k` of ks[i] and the ground truth
clusters of the data.
Otherwise returns None.
corr : array or None
Average correlation for each fold. TODO
corr_gt : array or None
Avg correlation against GT. TODO
"""
if method not in AVAILABLE_METHODS:
raise ValueError('Method {0} not implemented'.format(method))
if cv_likelihood and method != 'gmm':
raise ValueError(
"Cross-validated likelihood is only available for 'gmm' method")
# if max_k is None, set max_k to maximum value
if not max_k:
max_k = samples[0].shape[1]
# preallocate arrays for results
ks = np.zeros(max_k-1, dtype=int)
ari = np.zeros(max_k-1)
ami = np.zeros(max_k-1)
if stability:
stab = np.zeros(max_k-1)
if cv_likelihood:
likelihood = np.zeros(max_k-1)
if corr_score is not None:
corr = np.zeros(max_k-1)
if ground_truth is not None:
ari_gt = np.zeros(max_k-1)
ami_gt = np.zeros(max_k-1)
if stability:
stab_gt = np.zeros(max_k-1)
if corr_score is not None:
corr_gt = np.zeros(max_k-1)
# get training and test
train_set = [samples[x] for x in train]
test_set = [samples[x] for x in test]
if stack:
train_ds = np.vstack(train_set)
test_ds = np.vstack(test_set)
else:
train_ds = np.mean(np.dstack(train_set), axis=2)
test_ds = np.mean(np.dstack(test_set), axis=2)
# compute clustering on training set
if method == 'complete':
train_ds_dist = pdist(train_ds.T, metric='correlation')
test_ds_dist = pdist(test_ds.T, metric='correlation')
# I'm computing the full tree and then cutting
# afterwards to speed computation
Y_train = complete(train_ds_dist)
# same on testing set
Y_test = complete(test_ds_dist)
elif method == 'ward':
(children_train, n_comp_train,
n_leaves_train, parents_train) = ward_tree(train_ds.T, **kwargs)
# same on testing set
(children_test, n_comp_test,
n_leaves_test, parents_test) = ward_tree(test_ds.T, **kwargs)
elif method == 'gmm' or method == 'kmeans':
pass # we'll have to run it for each k
else:
raise ValueError("We shouldn't get here")
for i_k, k in enumerate(range(2, max_k+1)):
if method == 'complete':
# cut the tree with right K for both train and test
train_label = cut_tree_scipy(Y_train, k)
test_label = cut_tree_scipy(Y_test, k)
# train a classifier on this clustering
knn = KNeighborsClassifier(#algorithm='brute',
# metric='correlation',
n_neighbors=n_neighbors)
knn.fit(train_ds.T, train_label)
# predict the clusters in the test set
prediction_label = knn.predict(test_ds.T)
elif method == 'ward':
# cut the tree with right K for both train and test
train_label = _hc_cut(k, children_train, n_leaves_train)
test_label = _hc_cut(k, children_test, n_leaves_test)
# train a classifier on this clustering
knn = KNeighborsClassifier(n_neighbors=n_neighbors)
knn.fit(train_ds.T, train_label)
# predict the clusters in the test set
prediction_label = knn.predict(test_ds.T)
elif method == 'gmm':
gmm = GMM(n_components=k, **kwargs)
# fit on train and predict test
gmm.fit(train_ds.T)
prediction_label = gmm.predict(test_ds.T)
if cv_likelihood:
log_prob = np.sum(gmm.score(test_ds.T))
# fit on test and get labels
gmm.fit(test_ds.T)
test_label = gmm.predict(test_ds.T)
elif method == 'kmeans':
kmeans = KMeans(n_clusters=k)
# fit on train and predict test
kmeans.fit(train_ds.T)
prediction_label = kmeans.predict(test_ds.T)
# fit on test and get labels
kmeans.fit(test_ds.T)
test_label = kmeans.predict(test_ds.T)
else:
raise ValueError("We shouldn't get here")
# append results
ks[i_k] = k
ari[i_k] = adjusted_rand_score(prediction_label, test_label)
ami[i_k] = adjusted_mutual_info_score(prediction_label, test_label)
if stability:
stab[i_k] = stability_score(prediction_label, test_label, k)
if cv_likelihood:
likelihood[i_k] = log_prob
if corr_score is not None:
corr[i_k] = correlation_score(prediction_label, test_label,
test_ds, corr_score)
if ground_truth is not None:
ari_gt[i_k] = adjusted_rand_score(prediction_label, ground_truth)
ami_gt[i_k] = adjusted_mutual_info_score(prediction_label,
ground_truth)
if stability:
stab_gt[i_k] = stability_score(prediction_label,
ground_truth, k)
if corr_score is not None:
corr_gt[i_k] = correlation_score(prediction_label,
ground_truth,
test_ds, corr_score)
results = [ks, ari, ami]
if stability:
results.append(stab)
else:
results.append(None)
if cv_likelihood:
results.append(likelihood)
else:
results.append(None)
if ground_truth is not None:
results += [ari_gt, ami_gt]
else:
results += [None, None]
if stability and ground_truth is not None:
results.append(stab_gt)
else:
results.append(None)
if corr_score is not None:
results.append(corr)
else:
results.append(None)
if corr_score is not None and ground_truth is not None:
results.append(corr_gt)
else:
results.append(None)
return results
def _run_complete(data, metric="correlation"):
"""Just to allow caching"""
return complete(pdist(data, metric=metric))
def finalize_learning(self, grouping_method='AHC', spatial_pooler=None):
"""Finalize learning in the following steps:
1. Remove rare coincidences (done in SpatialPooler)
2. Compute coincidence priors
3. Make T symmetric
4. Normalize T by rows
5. Temporal grouping
6. Compute PCG
"""
def add_to_temporal_group(c_id, g_id=None):
"""Add coincidence to a new or to an existing temporal group.
Args:
c_id: coincidence index
g_id: existing temporal group index
Returns:
group id if creating a new one
"""
if c_id not in nonassigned_coincidences:
return
nonassigned_coincidences.remove(c_id)
if g_id is None:
self.temporal_groups[len(self.temporal_groups)] = [c_id]
return len(self.temporal_groups) - 1
else:
if (len(self.temporal_groups[g_id]) < self.group_max_size):
self.temporal_groups[g_id].append(c_id)
# 2. Compute coincidence priors
self.conincidence_prior = dict()
count_sum = float(sum(self.coincidences_stats))
for c_id, count in enumerate(self.coincidences_stats):
self.conincidence_prior[c_id] = count / count_sum
# visualize.show_image(np.asarray(self.conincidence_prior.values()).reshape(10,20))
# 3. Make T symmetric
if self.symmetrizeTAM:
self.TAM = utils.symmetrize(self.TAM.T)
# zero-out the diagonal
for i in range(self.TAM.shape[0]):
self.TAM[i, i] = 0
# 4. Normalize T by rows
# for i in xrange(self.TAM.shape[0]):
# for j in xrange(self.TAM.shape[1]):
# if self.TAM[i].sum() > 0:
# self.TAM[i, j] /= float(self.TAM[i].sum())
# normalize byt rows and columns
row_max = self.TAM.max(axis=1).reshape((self.TAM.shape[1], 1))
col_max = self.TAM.max(axis=0).reshape((self.TAM.shape[0], 1))
self.TAM = np.nan_to_num(np.divide(self.TAM, np.sqrt(np.dot(row_max, col_max.T))))
# visualize.show_matrix(self.TAM)
# 5. Temporal grouping
if grouping_method == "AHC":
# AHC algorithm
# http://docs.scipy.org/doc/scipy/reference/cluster.hierarchy.html
# http://math.stanford.edu/~muellner/fastcluster.html
import scipy.cluster.hierarchy as hier
# AHC needs a distance matrix
TAM_invs = 1 - self.TAM
# Z = hier.average(TAM_invs)
Z = hier.complete(TAM_invs)
# Z = hier.weighted(TAM_invs)
# Z = hier.centroid(TAM_invs)
t = self.requested_group_count
T = hier.fcluster(Z, t, criterion='maxclust')
# T is a list of indices to groups for each of the coincidences
# creating temporal groups based on T
for c_id, g_id in enumerate(T):
g_id = g_id - 1
if not g_id in self.temporal_groups.keys():
self.temporal_groups[g_id] = [c_id]
else:
self.temporal_groups[g_id].append(c_id)
elif grouping_method == "Numenta": # greedy algorithm
nonassigned_coincidences = range(self.coincidences_stats) # ids of coincidences
while len(nonassigned_coincidences) > 0:
# 5.1 Select the non-assigned coincidence c_i with the highest
# temporal connection TC and add it to a new temporal group g_k.
htc = -1 # highest temporal connection value
htc_id = None # id of the coincidence
for i in nonassigned_coincidences:
if self.TAM[i].max() > htc:
htc = self.TAM[i].max()
htc_id = i
assert(htc_id is not None)
# add selected coincidence to a new temporal group
g_id = add_to_temporal_group(htc_id)
# 5.2 Pick at most topNeighbors non-assigned coincidences with the
# highest temporal connection and pool them to the same group g_k
j = 0
tmp = dict()
while len(self.temporal_groups[g_id]) < self.group_max_size and \
len(nonassigned_coincidences) > 0:
if not len(self.temporal_groups[g_id]) - 1 >= j:
break
htc_id = self.temporal_groups[g_id][j]
tmp.clear()
for k in range(self.TAM.shape[1]):
tmp[k] = self.TAM[htc_id, k] # dict(c_id => temporal connection value)
del tmp[htc_id] # remove previously selected c_id
sorted_tmp = sorted(tmp, key=itemgetter(1), reverse=True)[0:self.top_neighbors]
for c_id, tc in sorted_tmp:
add_to_temporal_group(c_id, g_id)
j += 1
# 5.1 purge garbage group
# garbage group is the largest one, TODO use better metric
if self.purge_garbage and spatial_pooler is not None:
# find the largest temporal group
garbage_id = 0
max_len = 0
for g_id in self.temporal_groups.keys():
if len(self.temporal_groups[g_id]) > max_len:
max_len = len(self.temporal_groups[g_id])
garbage_id = g_id
# delete all the coincidences in that group
spatial_pooler.coincidences = utils.multi_delete(spatial_pooler.coincidences, self.temporal_groups[garbage_id])
self.coincidences_count = len(spatial_pooler.coincidences)
spatial_pooler.coincidences_matrix = np.vstack(spatial_pooler.coincidences.values())
# delete the temporal group and change the indices so that they are
# continuous
del self.temporal_groups[garbage_id]
for i in range(garbage_id, len(self.temporal_groups)):
self.temporal_groups[i] = self.temporal_groups[i + 1]
del self.temporal_groups[len(self.temporal_groups) - 1] # delete the last
count = 0
for g in self.temporal_groups.values():
count += len(g)
assert(count == self.coincidences_count)
# 6. Compute PCG
# 6.1
self.PCG = np.zeros((self.coincidences_count, len(self.temporal_groups)))
# for i in self.coincidences_stats.keys():
for i in range(self.PCG.shape[0]):
for j in range(self.PCG.shape[1]):
if i in self.temporal_groups[j]: # if c_i is in g_j
self.PCG[i, j] = self.conincidence_prior[i] # assign P(c_i)
# 6.2 each column in PCG should sum up to 1
self.PCG = self.PCG.T
for i in range(self.PCG.shape[0]):
tsum = float(self.PCG[i].sum())
if tsum > 0:
self.PCG[i] /= tsum
def test_cut_tree_scipy():
y = pdist(data, metric='euclidean')
z = complete(y)
assert_array_equal(np.sort(cut_tree_scipy(z, 2)),
np.hstack((np.zeros(10), np.ones(10))))
assert_equal(len(np.unique(cut_tree_scipy(z, 10))), 10)
def new_heatmap(figure_number, expr_values, study, platform, sample_ids, symbols, combined):
"""
Create a heatmap with row and column dendrograms for the array of expression values. The expression
values are normalized before clustering is performed.
The Euclidean distance method is used.
The Complete clustering method is used.
This code is based on the iPython notebook located here:
nbviewer.ipython.org/github/ucsd-scientific-python/user-group/blob/master/presentations/20131016/
hierarchical_clustering_heatmaps_gridspec.ipynb
:param expr_values: a numpy array of expression values
:param study:
:param platform:
:param sample_ids:
:param symbols:
:param combined: Boolean, is this a combined heatmap?
"""
symbols = np.array(symbols)
sample_ids = np.array(sample_ids)
# Normalize the expression values
expr_values /= np.max(np.abs(expr_values), axis=0)
# Get the transpose of the expression array to be used in row
# distance measurements and hierarchical clustering
expr_values_transposed = np.transpose(expr_values)
# Calculate the pairwise distances for the rows and columns
# The default method is 'euclidean'
column_distances = pdist(expr_values)
row_distances = pdist(expr_values_transposed)
# Create a Figure to hold all of the graphical elements
# Set its background to white
# Lay out a GridSpec dividing the figure inot 3 rows and 2 columns
# Area [1,1] = column dendrogram
# Area [2,0] = row dendrogram
# Area [2,1] = the heatmap
# Area [1,2] = the colorbar legend
fig = plt.figure()
# fig = Figure()
fig.set_tight_layout(True)
fig.patch.set_facecolor('white')
heatmap_GS = gridspec.GridSpec(3, 2, wspace=0.0, hspace=0.0, width_ratios=[0.25, 1],
height_ratios=[0.05, 0.25, 1])
# Perform a cluster analysis on column distances using the complete method.
# Create and draw a dendrogram
# Save the reordering values ('leaves') for the columns
column_cluster = sch.complete(column_distances)
column_dendrogram_axis = fig.add_subplot(heatmap_GS[1, 1])
column_dendrogram = sch.dendrogram(column_cluster, orientation='top')
column_indexes = column_dendrogram['leaves']
clean_axis(column_dendrogram_axis)
# Perform a cluster analysis on row distances using the complete method-
# Create and draw a dendrogram.
# Save the reordering values ('leaves') for the rows
row_cluster = sch.complete(row_distances)
row_dendrogram_axis = fig.add_subplot(heatmap_GS[2, 0])
row_dendrogram = sch.dendrogram(row_cluster, orientation='right')
row_indexes = row_dendrogram['leaves']
clean_axis(row_dendrogram_axis)
# Reorder the normalized expression value array based on the clustering indexes
# Create and draw the heatmap. The image itself is used to create the colorbar (below)
expr_values_transposed = expr_values_transposed[:, column_indexes]
expr_values_transposed = expr_values_transposed[row_indexes, :]
heat_map_axis = fig.add_subplot(heatmap_GS[2, 1])
image = heat_map_axis.matshow(expr_values_transposed, aspect='auto', origin='lower',
# cmap=RedBlackGreen())
cmap=cm.BrBG)
clean_axis(heat_map_axis)
# Prepare the heatmap row labels based on the gene symbols
gene_symbols = []
for symbol in symbols:
match_result = re.match(r"(.+)(_\d+)", symbol)
if match_result:
gene_symbols.append(match_result.group(1))
else:
gene_symbols.append(symbol)
genes = np.array(gene_symbols)
heat_map_axis.set_yticks(np.arange(len(genes)))
heat_map_axis.yaxis.set_ticks_position('right')
heat_map_axis.set_yticklabels(genes[row_indexes])
# Prepare the heatmap column labels based on the sample ids
# Rotate them 90 degrees
heat_map_axis.set_xticks(np.arange(sample_ids.shape[0]))
heat_map_axis.xaxis.set_ticks_position('bottom')
xlabels = heat_map_axis.set_xticklabels(sample_ids[column_indexes])
for label in xlabels:
label.set_rotation(90)
# Create and draw a scale colorbar. It is based on the values used in the
# heatmap image.
scale_cbGSSS = gridspec.GridSpecFromSubplotSpec(1, 2, subplot_spec=heatmap_GS[1, 0],
wspace=0.0, hspace=0.0)
scale_cb_axis = fig.add_subplot(scale_cbGSSS[0, 0])
colorbar = fig.colorbar(image, scale_cb_axis)
colorbar.ax.yaxis.set_ticks_position('left')
colorbar.ax.yaxis.set_label_position('left')
colorbar.outline.set_linewidth(0)
tick_labels = colorbar.ax.yaxis.get_ticklabels()
for tick_label in tick_labels:
tick_label.set_fontsize(tick_label.get_fontsize() - 4)
# "Tighten" up the whole figure, separating the sub plots by horizontal and vertical spaces
# Add a title - placed at the very top
heatmap_GS.tight_layout(fig, h_pad=0.1, w_pad=0.5)
title = "Study: %s Platform(s): %s" % (study, platform,)
fig.suptitle(title)
fig.set_size_inches(12.0, 8.0)
canvas = FigureCanvas(fig)
# plot_file_name = 'heatmap%s.png' % figure_number
# plot_file = os.path.join(settings.MEDIA_ROOT, plot_file_name)
# canvas.print_figure(plot_file)
#
# return '/media/' + plot_file_name
plot_file = tempfile.NamedTemporaryFile(suffix=".png", delete=False)
file_name = plot_file.name.split('/')[-1]
canvas.print_figure(plot_file)
return settings.MEDIA_URL+file_name
def main():
usage = """
./helix_orienation_divergences.py
Analyze how much the helix-helix orientations diverge between two data sets.
"""
num_args=0
parser = OptionParser()
parser.add_option('-r', '--resolution', dest='resolution', default=10, help="The resolution of the resulting plot", type='int')
parser.add_option('-a', '--angle', dest='angle', default=0, help="The angle of the camera", type='float')
parser.add_option('-f', '--fig-name', dest='fig_name', default='', help="The name of the file to save the figure to. If it is not specified, the figure will not be saved", type='str')
parser.add_option('-i', '--interior_loops', dest='interior_loops', default=False, help='Cluster only the interior loops', action='store_true')
parser.add_option('-m', '--multi_loops', dest='multi_loops', default=False, help='Cluster only the interior loops', action='store_true')
#parser.add_option('-u', '--useless', dest='uselesss', default=False, action='store_true', help='Another useless option')
(options, args) = parser.parse_args()
if len(args) < num_args:
parser.print_help()
sys.exit(1)
column_names = ['type', 'pdb', 's1', 's2', 'u', 'v', 't', 'r', 'u1', 'v1', 'atype', 'something1', 'something2', 'sth3', 'sth4']
real_stats = ftms.ConformationStats('fess/stats/real.stats').angle_stats
sampled_stats = ftms.ConformationStats('fess/stats/temp.stats').angle_stats
# count how many statistics we have for each statistic type
stat_counts = c.defaultdict(int)
for sc in real_stats.keys():
stat_counts[sc] += len(real_stats[sc])
histograms = dict()
for b in stat_counts.keys():
if b[2] != 2.:
# only look at type 2 angles
continue
if options.interior_loops:
if b[0] == 1000 or b[1] == 1000:
continue
if options.multi_loops:
if b[0] != 1000 and b[1] != 1000:
continue
(selected_sizes, count) = get_nearest_dimension_sizes(b, stat_counts, 1)
if count < 3:
continue
fud.pv('b, selected_sizes')
combined_real = []
# get the statistics that correspond to the selected sampled sizes
for ss in selected_sizes:
#ss_r = get_certain_angle_stats(real_stats, ss)
ss_r = real_stats[ss]
combined_real += list(ss_r[['u','v']].as_matrix())
num_points = len(combined_real)
combined_real = np.array(combined_real)
#histograms[b] = (np.histogram2d(combined_real[:,0], combined_real[:,1], range=[[0, m.pi], [-m.pi, m.pi]])[0] + 0.5) / float(num_points)
histograms[b] = combined_real
dists = []
named_dists = dict()
pp_dists = dict()
for k1, k2 in it.combinations(histograms.keys(), 2):
per_point_distances = []
for p1 in histograms[k1]:
point_distances = []
for p2 in histograms[k2]:
point_distances += [ftuv.magnitude(p1 - p2)]
per_point_distances += [min(point_distances)]
for p2 in histograms[k2]:
point_distances = []
for p1 in histograms[k1]:
point_distances += [ftuv.magnitude(p1-p2)]
per_point_distances += [min(point_distances)]
dists += [max(per_point_distances)]
named_dists[(k1,k2)] = max(per_point_distances)
pp_dists[(k1,k2)] = per_point_distances
'''
kl = histograms[k1] * (histograms[k1] / histograms[k2])
kl = sum(map(sum, kl))
dists += [kl]
'''
fud.pv('dists')
Z = sch.complete(dists)
fud.pv('Z')
sch.dendrogram(Z, labels = histograms.keys(), leaf_rotation=90)
plt.subplots_adjust(bottom=0.25)
plt.show()
k1 = (6,7,2)
k2 = (5,6,2)
rs = get_certain_angle_stats(real_stats, k1)
ss = get_certain_angle_stats(real_stats, k2)
fud.pv('named_dists[(k1,k2)]')
fud.pv('pp_dists[(k1,k2)]')
real_us = rs[['u', 'v']].as_matrix()
sampled_us = ss[['u','v']].as_matrix()
U_r = real_us[:,0]
V_r = real_us[:,1]
U_s = sampled_us[:,0]
V_s = sampled_us[:,1]
total_r = len(U_r)
total_s = len(U_s)
hr = np.histogram2d(U_r, V_r)
hs = np.histogram2d(U_s, V_s)
pseudo_r = (hr[0] + 1) / total_r
pseudo_s = (hs[0] + 1) / total_r
kl = pseudo_r * (pseudo_r / pseudo_s)
fud.pv('kl')
fud.pv('sum(map(sum, kl))')
X_r = np.sin(U_r) * np.cos(V_r)
Y_r = np.sin(U_r) * np.sin(V_r)
Z_r = np.cos(U_r)
r = 1.
X_s = r * np.sin(U_s) * np.cos(V_s)
Y_s = r * np.sin(U_s) * np.sin(V_s)
Z_s = r * np.cos(U_s)
fud.pv('real_us')
real_us_orig = np.copy(real_us)
sampled_us_orig = np.copy(sampled_us)
print len(real_us), len(sampled_us)
fig = plt.figure(figsize=(10,10))
ax = Axes3D(fig)
a = Arrow3D([-1.3,1.3],[0,0],[0,0], mutation_scale=20, lw=5, arrowstyle="-|>", color="g")
ax.add_artist(a)
ax.plot(X_r, Y_r, Z_r, 'bo', alpha=0.3)
ax.plot(X_s, Y_s, Z_s, 'ro', alpha=0.3)
u, v = np.mgrid[0:2*np.pi:20j, 0:np.pi:10j]
x=np.cos(u)*np.sin(v)
y=np.sin(u)*np.sin(v)
z=np.cos(v)
ax.plot_wireframe(x, y, z, color="y")
#surf = ax.plot_surface(X, Y, Z, rstride=1, cstride=1, facecolors=colors,
# linewidth=0, antialiased=False)
ax._axis3don=False
ax.set_zlim3d(-1, 1)
ax.w_zaxis.set_major_locator(LinearLocator(6))
ax.view_init(0, options.angle)
'''
plt.subplots_adjust(left=0.4, right=0.9, top=0.9, bottom=0.1)
for i in xrange(0, 360, 40):
savefig("fig%d.png", (i))
'''
'''
sm = cm.ScalarMappable(cmap=cm.jet)
sm.set_array(W)
fig.colorbar(sm)
'''
if options.fig_name != "":
plt.savefig(options.fig_name, bbox_inches='tight')
else:
plt.show()
