fork_scRNAseq_analysis/pipelines/18_clustering_comparison/clustering.py
2019-07-08 12:22:01 +01:00

91 lines
3 KiB
Python
Executable file

#!/usr/bin/env python3
# -*- coding: utf-8 -*-
"""
Created on Wed Oct 03 10:49:22 2018
@author: doru
"""
import sys
args = sys.argv
output_folder = args[1]
n_clusters = int(args[2])
import os
os.chdir(output_folder)
from sklearn.cluster import AgglomerativeClustering
from sklearn.neighbors import kneighbors_graph
from sklearn import mixture
from sklearn import metrics
import pandas as pd
import numpy as np
print("Loading data ...")
pca_df = pd.read_csv("material/pca.csv", sep = ",", index_col = 0)
pca = pca_df.values[:, :20]
ori_labels = pca_df.values[:, 20]
print("computing agglomerative clustering ... ")
connectivity_graph = kneighbors_graph(X = pca, n_neighbors = 30)
clustering = AgglomerativeClustering(n_clusters = n_clusters, affinity = "euclidean",
connectivity = connectivity_graph,
linkage = "ward")
agg_labels = clustering.fit(pca)
agg_labels = agg_labels.labels_
print("computing gaussian mixture clustering ... ")
gmm = mixture.GaussianMixture(n_components = n_clusters, covariance_type = "full",
random_state = 52).fit(pca)
gmm_labels = gmm.predict(pca)
# metrics
# voted labels
def voted_labels(true, pred):
pred_unique = np.unique(pred)
pred_voted = true.copy()
for p in pred_unique:
p_indx = pred == p
ori_types = true[p_indx]
ori_unique = np.unique(ori_types, return_counts = True)
voted = ori_unique[0][np.argmax(ori_unique[1])]
pred_voted[p_indx] = voted
return pred_voted
agg_labels = voted_labels(ori_labels, agg_labels)
gmm_labels = voted_labels(ori_labels, gmm_labels)
# compute adjusted Rand Index
# reference: Comparing partitions - https://link.springer.com/article/10.1007%2FBF01908075
RandIndex_Louvain_Agg = metrics.adjusted_rand_score(ori_labels, agg_labels)
RandIndex_Louvain_GMM = metrics.adjusted_rand_score(ori_labels, gmm_labels)
# ref for mutual information metrics - "Information theoretic measures for clusterings comparison"
# compute adjusted mutual information
AdjMutInf_Louvain_Agg = metrics.adjusted_mutual_info_score(ori_labels, agg_labels)
AdjMutInf_Louvain_GMM = metrics.adjusted_mutual_info_score(ori_labels, gmm_labels)
RandIndex_Louvain_Agg = str(RandIndex_Louvain_Agg)
RandIndex_Louvain_GMM = str(RandIndex_Louvain_GMM)
AdjMutInf_Louvain_Agg = str(AdjMutInf_Louvain_Agg)
AdjMutInf_Louvain_GMM = str(AdjMutInf_Louvain_GMM)
# save measures to disk
result = '\n'.join([RandIndex_Louvain_Agg, RandIndex_Louvain_GMM,
AdjMutInf_Louvain_Agg, AdjMutInf_Louvain_GMM])
with open('material/agreement_measures.txt', 'w') as agg_file:
agg_file.write(result)
print("saving gaussian mixture clustering labels to disk ...")
df = pd.DataFrame(gmm_labels)
df.index = pca_df.index
df.to_csv("./material/gaussian_mixture.csv")
print("saving agglomerative clustering labels to disk ...")
df = pd.DataFrame(agg_labels)
df.index = pca_df.index
df.to_csv("./material/agglomerative_clustering.csv")