**sumo** is a command-line tool to identify molecular subtypes in multi-omics datasets. It implements a novel nonnegative matrix factorization (NMF) algorithm to identify groups of samples that share molecular signatures, and provides tools to evaluate such assignments.
Project description
sumo is a command-line tool to identify molecular subtypes in multi-omics datasets. It implements a novel nonnegative matrix factorization (NMF) algorithm to identify groups of samples that share molecular signatures, and provides tools to evaluate such assignments.
Installation
You can install sumo from PyPI, by executing command below. Please note that we require python 3.6+.
pip install python-sumo
Documentation
The official documentation is available at https://python-sumo.readthedocs.io
License
Usage
Typical workflow includes running prepare mode for preparation of similarity matrices from feature matrices, followed by factorization of produced multiplex network (mode run). Third mode evaluate can be used for comparison of created cluster labels against biologically significant labels.
prepare
Generates similarity matrices for samples based on biological data and saves them into multiplex network files.
usage: sumo prepare [-h] [-method METHOD] [-k K] [-alpha ALPHA] [-missing MISSING] [-atol ATOL] [-sn SN] [-fn FN] [-df DF] [-ds DS] [-logfile LOGFILE] [-log {DEBUG,INFO,WARNING}] [-plot PLOT] infile1,infile2,... outfile.npz positional arguments: infile1,infile2,... comma-delimited list of paths to input files, containing standardized feature matrices, with samples in columns and features in rows (supported types of files: ['.txt', '.txt.gz', '.txt.bz2', '.tsv', '.tsv.gz', '.tsv.bz2']) outfile.npz path to output .npz file optional arguments: -h, --help show this help message and exit -method METHOD either one method of sample-sample similarity calculation, or comma-separated list of methods for every layer (available methods: ['euclidean', 'cosine', 'pearson', 'spearman'], default of euclidean) -k K fraction of nearest neighbours to use for sample similarity calculation using Euclidean distance similarity (default of 0.1) -alpha ALPHA hypherparameter of RBF similarity kernel, for Euclidean distance similarity (default of 0.5) -missing MISSING acceptable fraction of available values for assessment of distance/similarity between pairs of samples - either one value or comma-delimited list for every layer (default of [0.1]) -atol ATOL if input files have continuous values, sumo checks if data is standardized feature-wise, meaning all features should have mean close to zero, with standard deviation around one; use this parameter to set tolerance of standardization checks (default of 0.01) -sn SN index of row with sample names for input files (default of 0) -fn FN index of column with feature names for input files (default of 0) -df DF if percentage of missing values for feature exceeds this value, remove feature (default of 0.1) -ds DS if percentage of missing values for sample (that remains after feature dropping) exceeds this value, remove sample (default of 0.1) -logfile LOGFILE path to save log file, by default stdout is used -log {DEBUG,INFO,WARNING} sets the logging level (default of INFO) -plot PLOT path to save adjacency matrix heatmap(s), by default plots are displayed on screen
Example
sumo prepare -plot plot.png methylation.txt,expression.txt prepared.data.npz
run
Cluster multiplex network using non-negative matrix tri-factorization to identify molecular subtypes.
usage: sumo run [-h] [-sparsity SPARSITY] [-n N] [-method {max_value,spectral}] [-max_iter MAX_ITER] [-tol TOL] [-calc_cost CALC_COST] [-logfile LOGFILE] [-log {DEBUG,INFO,WARNING}] [-h_init H_INIT] [-t T] infile.npz k outdir positional arguments: infile.npz input .npz file containing adjacency matrices for every network layer and sample names (file created by running program with mode "run") - consecutive adjacency arrays in file are indexed in following way: "0", "1" ... and index of sample name vector is "samples" k either one value describing number of clusters or coma-delimited range of values to check (sumo will suggest cluster structure based on cophenetic correlation coefficient) outdir path to save output files optional arguments: -h, --help show this help message and exit -sparsity SPARSITY either one value or coma-delimited list of sparsity penalty values for H matrix (sumo will try different values and select the best results; default of [0.1]) -n N number of repetitions (default of 50) -method {max_value,spectral} method of cluster extraction (default of "max_value") -max_iter MAX_ITER maximum number of iterations for factorization (default of 500) -tol TOL if objective cost function value fluctuation (|Δℒ|) is smaller than this value, stop iterations before reaching max_iter (default of 1e-05) -calc_cost CALC_COST number of steps between every calculation of objective cost function (default of 20) -logfile LOGFILE path to save log file (by default printed to stdout) -log {DEBUG,INFO,WARNING} set the logging level (default of INFO) -h_init H_INIT index of adjacency matrix to use for H matrix initialization (by default using average adjacency) -t T number of threads (default of 1)
Example
sumo run -t 10 prepared.data.npz 2,5 results_dir
evaluate
Evaluate clustering results, given set of labels.
usage: sumo evaluate [-h] [-metric {NMI,purity,ARI}] [-logfile LOGFILE] infile.tsv labels positional arguments: infile.tsv input .tsv file containing sample names in 'sample' and clustering labels in 'label' column (clusters.tsv file created by running sumo with mode 'run') labels .tsv of the same structure as input file optional arguments: -h, --help show this help message and exit -metric {NMI,purity,ARI} metric for accuracy evaluation (by default all metrics are calculated) -logfile LOGFILE path to save log file (by default printed to stdout) -log {DEBUG,INFO,WARNING} sets the logging level (default of INFO)
Example
sumo evaluate results_dir/k3/clusters.tsv labels.tsv
interpret
Find features that support clusters separation.
usage: sumo interpret [-h] [-logfile LOGFILE] [-log {DEBUG,INFO,WARNING}] [-hits HITS] [-max_iter MAX_ITER] [-n_folds N_FOLDS] [-t T] [-seed SEED] [-sn SN] [-fn FN] [-df DF] [-ds DS] sumo_results.npz infile1,infile2,... output_prefix positional arguments: sumo_results.npz path to sumo_results.npz (created by running program with mode "run") infile1,infile2,... comma-delimited list of paths to input files, containing standardized feature matrices, with samples in columns and features in rows(supported types of files: ['.txt', '.txt.gz', '.txt.bz2', '.tsv', '.tsv.gz', '.tsv.bz2']) output_prefix prefix of output files - sumo will create two output files (1) .tsv file containing matrix (features x clusters), where the value in each cell is the importance of the feature in that cluster; (2) .hits.tsv file containing features of most importance optional arguments: -h, --help show this help message and exit -logfile LOGFILE path to save log file (by default printed to stdout) -log {DEBUG,INFO,WARNING} sets the logging level (default of INFO) -hits HITS sets number of most important features for every cluster, that are logged in .hits.tsv file -max_iter MAX_ITER maximum number of iterations, while searching through hyperparameter space -n_folds N_FOLDS number of folds for model cross validation (default of 5) -t T number of threads (default of 1) -seed SEED random state (default of 1) -sn SN index of row with sample names for input files (default of 0) -fn FN index of column with feature names for input files (default of 0) -df DF if percentage of missing values for feature exceeds this value, remove feature (default of 0.1) -ds DS if percentage of missing values for sample (that remains after feature dropping) exceeds this value, remove sample (default of 0.1)
Example
sumo interpret results_dir/k3/sumo_results.npz methylation.txt,expression.txt interpret_results
Please refer to documentation for example usage cases and suggestions for data preprocessing.
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