diff --git a/.gitignore b/.gitignore index 283549d..ccc2f3b 100644 --- a/.gitignore +++ b/.gitignore @@ -7,7 +7,4 @@ output/ build dist *.egg-info -Run.py -panorg_Run.py -Cost_Function.py -Bayesian_Optimization.py +*.out diff --git a/Bayesian_Optimization.py b/Bayesian_Optimization.py deleted file mode 100644 index a50e781..0000000 --- a/Bayesian_Optimization.py +++ /dev/null @@ -1,53 +0,0 @@ -# -*- coding: utf-8 -*- -""" -Created on Sat Apr 2 22:17:31 2016 - -@author: Ayine -""" -import sys -sys.path.append('./../') -import bayesopt -import numpy as np -from time import clock -from CostFunction import cost_func, OBU_cost_func, OVBRCA_cost_func, LUADSC_cost_func -import theano - -def tune(i): - params = {} - params['n_iterations'] = 50 - params['n_iter_relearn'] = 1 - params['n_init_samples'] = 2 - - print "*** Model Selection with BayesOpt ***" - n = 7 # n dimensions -# params: #layer, width, dropout, nonlinearity, l1_rate, l2_rate - lb = np.array([1, 10, .0, 0, 0, 0, i]) - ub = np.array([2, 1000, .0, 1, 1, 0, i+.5]) - - start = clock() - mvalue, x_out, error = bayesopt.optimize(cost_func, n, lb, ub, params) - #layers = [1, 3, 5, 7, 9, 10] - #hsizes = [10, 50, 100, 150, 200, 300] - #drates = [0.0, .1, .3, .5, .7, .9] - #layers = [1, 5, 10] - #hsizes = [10, 100, 1000, 10000] - #drates = [.0, .1, .5, .9] - #reg = [] - #x_set = [] - #for l in layers: - #for h in hsizes: - # for d in drates: - # x_set.append([l, h, d]) - #x_set = np.array(x_set, dtype=float) - #x_set = np.array([[1, 3, 5, 7, 9, 10],\ - # [10, 50, 100, 150, 200, 300],\ - # [0, 1, 3, 5, 7, 9]], dtype=float).transpose() - #print x_set.shape - - #print x_set - #mvalue, x_out, error = bayesopt.optimize_discrete(cost_func, x_set, params) - print "Result", mvalue, "at", x_out - print "Running time:", clock() - start, "seconds" - return mvalue, x_out, error -if __name__=='__main__': - tune(0) diff --git a/CostFunction.py b/CostFunction.py deleted file mode 100644 index 197ebbb..0000000 --- a/CostFunction.py +++ /dev/null @@ -1,295 +0,0 @@ -import os -from survivalnet.train import train -import numpy as np -import scipy.io as sio -from survivalnet.optimization import SurvivalAnalysis -import theano -import shutil -def OVBRCA_cost_func(params): - panorg = True - n_layers = int(params[0]) - n_hidden = int(params[1]) - do_rate = params[2] - if params[3] > .5: - nonlin = theano.tensor.nnet.relu - else: nonlin = np.tanh - i = int(params[4]) - finetune_config = {'ft_lr':0.001, 'ft_epochs':40} - #Print experiment identifier - expID = 'nl' + str(n_layers) + '-' + 'hs' + str(n_hidden) + '-' + 'dor' + str(do_rate) + str(nonlin) +'-id' + str(int(i)) - parstr = 'nl' + str(params[0]) + '-' + 'hs' + str(params[1]) + '-' + 'dor' + str(params[2]) + str(params[3]) +'-id' + str(params[4]) - print parstr - ## PARSET - path_br = 'data/panorgan/OB/BRCA_Integ_Raw.mat' - path_ov = 'data/panorgan/OB/OV_Integ_Raw.mat' - opt = 'GDLS' - pretrain_config = None #No pre-training - pretrain_set = None #No pre-training - avg_cost = 0.0 - D_br = sio.loadmat(path_br) - D_ov = sio.loadmat(path_ov) - T_ov = np.asarray([t[0] for t in D_ov['Integ_Survival']]) - O_ov = 1 - np.asarray([c[0] for c in D_ov['Integ_Censored']]) - ## PARSET - X_ov = D_ov['Integ_X'] - T_br = np.asarray([t[0] for t in D_br['Integ_Survival']]) - O_br = 1 - np.asarray([c[0] for c in D_br['Integ_Censored']]) - ## PARSET - X_br = D_br['Integ_X'] - prng = np.random.RandomState(i) - order = prng.permutation(np.arange(len(X_br))) - X_br = X_br[order] - O_br = O_br[order] - T_br = T_br[order] - - #foldsize denotes th amount of data used for testing. The same amount - #of data is used for model selection. The rest is used for training. - fold_size = int(20 * len(X_br) / 100) - - train_set = {} - test_set = {} - - #caclulate the risk group for every patient i: patients who die after i - if panorg: - X_raw = np.concatenate((X_ov, X_br), axis = 0) - O = np.concatenate((O_ov, O_br), axis = 0) - T = np.concatenate((T_ov, T_br), axis = 0) - else: - X_raw = X_br - T = T_br - O = O_br - X_raw = X_raw[:, ~np.all(X_raw==0, axis=0)] - X = (X_raw - X_raw.mean(axis=0))/X_raw.std(axis=0) - X_train = X[:-2*fold_size] - O_train = O[:-2*fold_size] - T_train = T[:-2*fold_size] - - X_test = X[-2*fold_size:-fold_size] - O_test = O[-2*fold_size:-fold_size] - T_test = T[-2*fold_size:-fold_size] - - sa = SurvivalAnalysis() - train_set['X'], train_set['T'], train_set['O'], train_set['A'] = sa.calc_at_risk(X_train, T_train, O_train); - test_set['X'], test_set['T'], test_set['O'], test_set['A'] = sa.calc_at_risk(X_test, T_test, O_test); - _, _, test_cost_list, cindex_test,model, maxIter = train(pretrain_set, train_set, test_set, - pretrain_config, finetune_config, n_layers, n_hidden, coxphfit=False, - dropout_rate=do_rate, non_lin=nonlin, optim = "GDLS", disp = False, earlystp = False) - if not test_cost_list or np.isnan(test_cost_list[-1]): - print 'Skipping due to NAN' - return 1 - return (1 - cindex_test[maxIter]) -def LUADSC_cost_func(params): - panorg = True - n_layers = int(params[0]) - n_hidden = int(params[1]) - do_rate = params[2] - if params[3] > .5: - nonlin = theano.tensor.nnet.relu - else: nonlin = np.tanh - i = int(params[4]) - finetune_config = {'ft_lr':0.001, 'ft_epochs':40} - #Print experiment identifier - expID = 'nl' + str(n_layers) + '-' + 'hs' + str(n_hidden) + '-' + 'dor' + str(do_rate) + str(nonlin) +'-id' + str(int(i)) - parstr = 'nl' + str(params[0]) + '-' + 'hs' + str(params[1]) + '-' + 'dor' + str(params[2]) + str(params[3]) +'-id' + str(params[4]) - print parstr - ## PARSET - path_br = 'data/panorgan/LUADSC/LUSC_Gene_Raw.mat' - path_ov = 'data/panorgan/LUADSC/LUAD_Gene_Raw.mat' - opt = 'GDLS' - pretrain_config = None #No pre-training - pretrain_set = None #No pre-training - avg_cost = 0.0 - D_br = sio.loadmat(path_br) - D_ov = sio.loadmat(path_ov) - T_ov = np.asarray([t[0] for t in D_ov['Gene_Survival']]) - O_ov = 1 - np.asarray([c[0] for c in D_ov['Gene_Censored']]) - ## PARSET - X_ov = D_ov['Gene_X'] - T_br = np.asarray([t[0] for t in D_br['Gene_Survival']]) - O_br = 1 - np.asarray([c[0] for c in D_br['Gene_Censored']]) - ## PARSET - X_br = D_br['Gene_X'] - prng = np.random.RandomState(i) - order = prng.permutation(np.arange(len(X_br))) - X_br = X_br[order] - O_br = O_br[order] - T_br = T_br[order] - - #foldsize denotes th amount of data used for testing. The same amount - #of data is used for model selection. The rest is used for training. - fold_size = int(20 * len(X_br) / 100) - - train_set = {} - test_set = {} - - #caclulate the risk group for every patient i: patients who die after i - if panorg: - X_raw = np.concatenate((X_ov, X_br), axis = 0) - O = np.concatenate((O_ov, O_br), axis = 0) - T = np.concatenate((T_ov, T_br), axis = 0) - else: - X_raw = X_br - T = T_br - O = O_br - X_raw = X_raw[:, ~np.all(X_raw==0, axis=0)] - X = (X_raw - X_raw.mean(axis=0))/X_raw.std(axis=0) - - X_train = X[:-2*fold_size] - O_train = O[:-2*fold_size] - T_train = T[:-2*fold_size] - - X_test = X[-2*fold_size:-fold_size] - O_test = O[-2*fold_size:-fold_size] - T_test = T[-2*fold_size:-fold_size] - - sa = SurvivalAnalysis() - train_set['X'], train_set['T'], train_set['O'], train_set['A'] = sa.calc_at_risk(X_train, T_train, O_train); - test_set['X'], test_set['T'], test_set['O'], test_set['A'] = sa.calc_at_risk(X_test, T_test, O_test); - _, _, test_cost_list, cindex_test,model, maxIter = train(pretrain_set, train_set, test_set, - pretrain_config, finetune_config, n_layers, n_hidden, coxphfit=False, - dropout_rate=do_rate, non_lin=nonlin, optim = "GDLS", disp = False, earlystp = False) - if not test_cost_list or np.isnan(test_cost_list[-1]): - print 'Skipping due to NAN' - return 1 - return (1 - cindex_test[maxIter]) - - - -def OBU_cost_func(params): - panorg = True - n_layers = int(params[0]) - n_hidden = int(params[1]) - do_rate = params[2] - if params[3] > .5: - nonlin = theano.tensor.nnet.relu - else: nonlin = np.tanh - i = int(params[4]) - finetune_config = {'ft_lr':0.001, 'ft_epochs':40} - #Print experiment identifier - expID = 'nl' + str(n_layers) + '-' + 'hs' + str(n_hidden) + '-' + 'dor' + str(do_rate) + str(nonlin) +'-id' + str(int(i)) - parstr = 'nl' + str(params[0]) + '-' + 'hs' + str(params[1]) + '-' + 'dor' + str(params[2]) + str(params[3]) +'-id' + str(params[4]) - print parstr - ## PARSET - path_br = 'data/panorgan/OBU/BRCA_Integ_Raw.mat' - path_ov = 'data/panorgan/OBU/OV_Integ_Raw.mat' - path_ut = 'data/panorgan/OBU/UCEC_Integ_Raw.mat' - opt = 'GDLS' - pretrain_config = None #No pre-training - pretrain_set = None #No pre-training - avg_cost = 0.0 - D_br = sio.loadmat(path_br) - D_ov = sio.loadmat(path_ov) - D_ut = sio.loadmat(path_ut) - - T_ov = np.asarray([t[0] for t in D_ov['Integ_Survival']]) - O_ov = 1 - np.asarray([c[0] for c in D_ov['Integ_Censored']]) - X_ov = D_ov['Integ_X'] - - T_ut = np.asarray([t[0] for t in D_ut['Integ_Survival']]) - O_ut = 1 - np.asarray([c[0] for c in D_ut['Integ_Censored']]) - X_ut = D_ut['Integ_X'] - - T_br = np.asarray([t[0] for t in D_br['Integ_Survival']]) - O_br = 1 - np.asarray([c[0] for c in D_br['Integ_Censored']]) - X_br = D_br['Integ_X'] - #foldsize denotes th amount of data used for testing. The same amount - #of data is used for model selection. The rest is used for training. - fold_size = int(20 * len(X_br) / 100) - - prng = np.random.RandomState(i) - order = prng.permutation(np.arange(len(X_br))) - X_br = X_br[order] - O_br = O_br[order] - T_br = T_br[order] - if panorg: - X_raw = np.concatenate((X_ut, X_ov, X_br), axis = 0) - O = np.concatenate((O_ut, O_ov, O_br), axis = 0) - T = np.concatenate((T_ut, T_ov, T_br), axis = 0) - else: - X_raw = X_br - T = T_br - O = O_br - X_raw = X_raw[:, ~np.all(X_raw==0, axis=0)] - X = (X_raw - X_raw.mean(axis=0))/X_raw.std(axis=0) - - X_train = X[:-2*fold_size] - O_train = O[:-2*fold_size] - T_train = T[:-2*fold_size] - - X_test = X[-2*fold_size:-fold_size] - O_test = O[-2*fold_size:-fold_size] - T_test = T[-2*fold_size:-fold_size] - - train_set = {} - test_set = {} - - #caclulate the risk group for every patient i: patients who die after i - sa = SurvivalAnalysis() - - train_set['X'], train_set['T'], train_set['O'], train_set['A'] = sa.calc_at_risk(X_train, T_train, O_train); - test_set['X'], test_set['T'], test_set['O'], test_set['A'] = sa.calc_at_risk(X_test, T_test, O_test); - _, _, test_cost_list, cindex_test,model, maxIter = train(pretrain_set, train_set, test_set, - pretrain_config, finetune_config, n_layers, n_hidden, coxphfit=False, - dropout_rate=do_rate, non_lin=nonlin, optim = "GDLS", disp = False, earlystp = False) - if not test_cost_list or np.isnan(test_cost_list[-1]): - print 'Skipping due to NAN' - return 1 - return (1 - cindex_test[maxIter]) - -def cost_func(params): - n_layers = int(params[0]) - n_hidden = int(params[1]) - do_rate = params[2] - if params[3] > .5: - nonlin = theano.tensor.nnet.relu - else: nonlin = np.tanh - lambda1 = params[4] - lambda2 = params[5] - i = int(params[6]) - ## PARSET - path = os.path.join(os.getcwd(), 'data/Brain_Integ.mat') - pretrain_config = None #No pre-training - X = sio.loadmat(path) - T = np.asarray([t[0] for t in X['Survival']]) - O = 1 - np.asarray([c[0] for c in X['Censored']]) - ## PARSET - X = X['Integ_X'] - prng = np.random.RandomState(int(i)) - order = prng.permutation(np.arange(len(X))) - X = X[order] - O = O[order] - T = T[order] - - #foldsize denotes th amount of data used for testing. The same amount - #of data is used for model selection. The rest is used for training. - fold_size = int(20 * len(X) / 100) - - train_set = {} - test_set = {} - - #caclulate the risk group for every patient i: patients who die after i - sa = SurvivalAnalysis() - train_set['X'], train_set['T'], train_set['O'], train_set['A'] = sa.calc_at_risk(X[2*fold_size:], T[2*fold_size:], O[2*fold_size:]); - test_set['X'], test_set['T'], test_set['O'], test_set['A'] = sa.calc_at_risk(X[fold_size:fold_size*2], T[fold_size:fold_size*2], O[fold_size:fold_size*2]); - #test_set['X'], test_set['T'], test_set['O'], test_set['A'] = sa.calc_at_risk(X[:fold_size], T[:fold_size], O[:fold_size]); - pretrain_set = X - val_set = test_set - pretrain_config = None #No pre-training - finetune_config = {'ft_lr':0.001, 'ft_epochs':40} - #Print experiment identifier - expID = 'nl' + str(n_layers) + '-' + 'hs' + str(n_hidden) + '-' + 'dor' + str(do_rate) + str(nonlin) +'-id' + str(int(i)) - print expID - _, _, test_cost_list, cindex_test,_, maxIter = train(pretrain_set, train_set, test_set, val_set, pretrain_config, finetune_config, n_layers, n_hidden, coxphfit=False, - dropout_rate=do_rate, lambda1= lambda1, lambda2 = lambda2, non_lin=nonlin, optim = "GDLS", disp = False, earlystp = False) - if not test_cost_list or np.isnan(test_cost_list[-1]): - print 'Skipping due to NAN' - return 1 - return (1 - cindex_test[maxIter]) - -#def aggr_st_cost_func(params): - -#def st_cost_func(params): - -if __name__ == '__main__': - res = cost_func([1.0,38.0,0,0.1, 0.1, 0,0.64]) - print res diff --git a/LICENSE b/LICENSE index 8b13789..2c08010 100644 --- a/LICENSE +++ b/LICENSE @@ -1 +1,191 @@ + Apache License + Version 2.0, January 2004 + http://www.apache.org/licenses/ + TERMS AND CONDITIONS FOR USE, REPRODUCTION, AND DISTRIBUTION + + 1. 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However, in accepting such obligations, You may act only + on Your own behalf and on Your sole responsibility, not on behalf + of any other Contributor, and only if You agree to indemnify, + defend, and hold each Contributor harmless for any liability + incurred by, or claims asserted against, such Contributor by reason + of your accepting any such warranty or additional liability. + + END OF TERMS AND CONDITIONS + + + Copyright 2017 Emory University + + Licensed under the Apache License, Version 2.0 (the "License"); + you may not use this file except in compliance with the License. + You may obtain a copy of the License at + + http://www.apache.org/licenses/LICENSE-2.0 + + Unless required by applicable law or agreed to in writing, software + distributed under the License is distributed on an "AS IS" BASIS, + WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. + See the License for the specific language governing permissions and + limitations under the License. diff --git a/PlotResults.py b/PlotResults.py deleted file mode 100644 index 9f8d989..0000000 --- a/PlotResults.py +++ /dev/null @@ -1,54 +0,0 @@ -# -*- coding: utf-8 -*- -""" -Created on Sat Apr 2 17:24:55 2016 - -@author: Safoora -""" -import os -import matplotlib.pyplot as plt -import cPickle -import numpy as np - -def plotresults(path = '', msr = 'ci', colori = 0, n = 100): - markers = ['o', '*', '^', 'v', 'x', 's', '<', '>','d', 'p', 'h', '+'] - colors = ['r', 'b', 'g', 'm', 'c', 'y', 'k', 'w', '#56B4E9', '#A60628', '#8C0900', '#7A68A6'] - - loaded_objects = np.empty([10, n]); - paths = [] - for f in os.listdir(path): - if (f.endswith(msr)): - print f - paths.append(f) - - for i in range(len(paths)): - if i > 9: - break - f = file(path + paths[i], 'rb') - #print f - loaded_objects[i] = (cPickle.load(f)) - f.close - mean = np.mean(loaded_objects, 0) - std = np.std(loaded_objects, 0) - - plt.plot(range(len(mean)), mean, color=colors[colori], marker=markers[colori], lw=2, ms=5, mfc = colors[colori], markevery = 5) - plt.fill_between(range(len(mean)), mean-std, mean+std,color = colors[colori], alpha = .3) - - -if __name__ == '__main__': - #path = os.path.join(os.getcwd(), './results/Brain_P_results/relu/Apr3/') - #msr = 'ci_tst' - #plotresults(path, msr, 0, 100) - - path = os.path.join(os.getcwd(), './results/Brain_P_results/relu/Apr5/') - msr = 'ci_tst' - plotresults(path, msr, 2, 100) - - # path = os.path.join(os.getcwd(), '../results/Brain_P_results/Relu/Jan/') - # msr = 'ci' - # plotresults(path, msr, 2, 50) - - plt.plot(range(100), np.ones(100) * .72 , color='c', marker='s', lw=2, ms=5, mfc = 'c', markevery = 5) - - plt.legend(['relu nn','pretrained relu nn', 'cox'], loc=4, prop={'size':12}); - #plt.ylim([.50, .9]) - plt.show() \ No newline at end of file diff --git a/README.md b/README.md index 4b3e10a..09c44bd 100644 --- a/README.md +++ b/README.md @@ -1 +1,73 @@ # SurvivalNet +SurvivalNet is a package for building survival analysis models using deep learning. The SurvivalNet package has the following features: + +* Training deep networks for time-to-event data using Cox partial likelihood +* Automatic tuning of network architecture and learning hyper-parameters with Bayesian Optimization +* Interpretation of trained networks using partial derivatives +* Layer-wise unsupervised pre-training + +A [short paper [1]](https://arxiv.org/abs/1609.08663) descibing our approach of using Cox partial likelihood was presented in ICLR in May, 2016 is available at arXiv. A [longer paper [2]](https://www.nature.com/articles/s41598-017-11817-6) was later published describing the package and showing applications in Nature Scientific Reports. + +## References: +[[1] Yousefi, Safoora, et al. "Learning Genomic Representations to Predict Clinical Outcomes in Cancer." arXiv preprint arXiv:1609.08663, May 2016.](https://arxiv.org/abs/1609.08663) + +[[2] Yousefi, Safoora, et al. "Predicting clinical outcomes from large scale cancer genomic profiles with deep survival models." Nature Scientific Reports 7, Article number: 11707 (2017) doi:10.1038/s41598-017-11817-6](https://www.nature.com/articles/s41598-017-11817-6) + +# Getting Started +The **examples** folder provides scripts to: + +* Train a neural network on your dataset using Bayesian Optimization (Run.py) +* Set parameters for Bayesian Optimizaiton (BayesianOptimization.py) +* Define a cost function for use by Bayesian Optimization (CostFunction.py) +* Interpret a trained model and analyze feature importance (ModelAnalysis.py) + +Run.py demonstrates how you can provide the input to the train.py module. To get started, you need the following three numpy arrays: + +* X: input data of size (number of patients, number of features). Patients must be sorted with respect to event or censoring times 'T'. +* T: Time of event or time to last follow-up, appearing in increasing order and corresponding to the rows of 'X'. size: (number of patients, ). +* O: Right-censoring status. A value of 1 means the event is observed (i.e. deceased or disease progression), a 0 value indicates that the sample is censored. size:(number of patients, ). + +After splitting the data into train, validation and test sets, feed the corresponding arrays to 'SurvivalAnalysis.calc\_at\_risk' to get the data that can be used to train the network. +```python +train_set['X'], train_set['T'], train_set['O'], train_set['A'] = sa.calc_at_risk(X_train, T_train, O_train) +test_set['X'], test_set['T'], test_set['O'], test_set['A'] = sa.calc_at_risk(X_test, T_test, O_test) +``` +The resulting dictionaries 'train\_set' and 'test\_set' can be directly fed to train.py. + +The provided example scripts read data provided in .mat format. You can, however, convert your data from any format to numpy arrays and follow the above procedure to prepare it for the SurvivalNet package. + +## Installation Guide for Docker Image + +A Docker image for SurvivalNet is provided for those who prefer not to build from source. This image contains an installation of SurvivalNet on a bare Ubuntu operating system along with sample data used in our *bioRxiv* paper. This helps users avoid installation of the */bayesopt/* package and other dependencies required by SurvivalNet. + +The SurvivalNet Docker Image can either be downloaded [here](https://hub.docker.com/r/cancerdatascience/snet/), or can be pulled from Docker hub using the following command: + + sudo docker pull cancerdatascience/snet:version1 + +Running this image on your local machine with the command + + sudo docker run -it cancerdatascience/snet:version1 /bin/bash + +launches a terminal within the image where users have access to the package installation. + +Example python scripts used in generating our results for the full-length paper can be found in the folder + + cd /SurvivalNet/examples/ + +These scripts provide examples of training and validating deep survival models. The main script + + python Run.py + +will perform Bayesian optimization to identify the optimal deep survival model configuation and will update the terminal with the step by step updates of the learning process. + +The sample data file - ***Brain_Integ.mat*** is located inside the */SurvivalNet/data/* folder. By default, ***Run.py*** uses this data for learning. + + +### Using your own data to train networks + +You can train a network using your own data by mounting a folder within the SurvivalNet Docker image. The command + + sudo docker run -v //:// -it cancerdatascience/snet:version1 /bin/bash + +will pull and run the Docker image, and mount *hostmachine_data_path* inside the container at *container_data_path*. container data path. Any files placed into the mounted folder on the host machine will appear in *container_data_path* on the image. Setting *container_data_path* as */SurvivalNet/data/* will place the image mount in the SurvivalNet data folder. + diff --git a/Run.py b/Run.py deleted file mode 100644 index 2facdb7..0000000 --- a/Run.py +++ /dev/null @@ -1,108 +0,0 @@ -import survivalnet as sn -import sys -sys.path.append('./..') -import os -import scipy.io as sio -from survivalnet.optimization import SurvivalAnalysis -import numpy as np -from survivalnet.train import train -import theano -import shutil - -def pickSubType(subtypesVec, subtype): - inds = [i for i in range(len(subtypesVec)) if (subtypesVec[i] == subtype)] - return inds -def Run(): -#where c-index and cost function values are saved - resultPath = os.path.join(os.getcwd(), './results/final/Brain_Integ') - if os.path.exists(resultPath): - shutil.rmtree(resultPath) - os.makedirs(resultPath) - else: - os.makedirs(resultPath) - #where the data (possibly multiple cross validation sets) are stored - #we use 10 permutations of the data and consequently 10 different training - #and testing splits to produce the results in the paper - p = os.path.join(os.getcwd(), 'data/Brain_Integ.mat') - D = sio.loadmat(p) - T = np.asarray([t[0] for t in D['Survival']]) - O = 1 - np.asarray([c[0] for c in D['Censored']]) - X = D['Integ_X'] - #X = (X - np.min(X, axis = 0))/(np.max(X, axis = 0) - np.min(X, axis=0)) - # Use Bayesian Optimization for model selection, - #if false, manually set parameters will be used - doBayesOpt = False - opt = 'GD' - #pretrain_config = {'pt_lr':0.01, 'pt_epochs':1000, 'pt_batchsize':None,'corruption_level':.3} - pretrain_config = None #No pre-training - numberOfShuffles = 1 - ft = np.multiply(np.ones((numberOfShuffles, 1)), 1) - shuffleResults =[] - avg_cost = 0 - i = 0 - while i < numberOfShuffles: - if doBayesOpt == True: - print '***Model Selection with BayesOpt for shuffle', str(i), '***' - maxval, bo_params, err = BayesOpt.tune(i) - n_layers = bo_params[0] - n_hidden = bo_params[1] - do_rate = bo_params[2] - nonlin = theano.tensor.nnet.relu if bo_params[3]>.5 else np.tanh - lambda1 = bo_params[4] - lambda2 = bo_params[5] - else: - n_layers = 1 - n_hidden = 100 - do_rate = 0.5 - lambda1 = 0 - lambda2 = 0 - #nonlin = theano.tensor.nnet.relu - nonlin = np.tanh - - expID = 'nl' + str(n_layers) + '-' + 'hs' + str(n_hidden) + '-' + \ - 'dor'+ str(do_rate) + '-id' + str(i) - #file names: shuffle0.mat, etc. - prng = np.random.RandomState(i) - order = prng.permutation(np.arange(len(X))) - X = X[order] - #C is censoring status. 0 means alive patient. We change it to O - #for comatibility with lifelines package - O = O[order] - T = T[order] - - #Use the entire dataset for pretraining - pretrain_set = X - - #foldsize denotes th amount of data used for testing. The same amount - #of data is used for model selection. The rest is used for training. - fold_size = int(20 * len(X) / 100) - - train_set = {} - test_set = {} - val_set = {} - #caclulate the risk group for every patient i: patients who die after i - sa = SurvivalAnalysis() - finetune_config = {'ft_lr':0.0001, 'ft_epochs':ft[i]} - train_set['X'], train_set['T'], train_set['O'], train_set['A'] = sa.calc_at_risk(X[2*fold_size:], T[2*fold_size:], O[2*fold_size:]); - #train_set['X'], train_set['T'], train_set['O'], train_set['A'] = sa.calc_at_risk(X, T, O); - test_set['X'], test_set['T'], test_set['O'], test_set['A'] = sa.calc_at_risk(X[:fold_size], T[:fold_size], O[:fold_size]); - val_set['X'], val_set['T'], val_set['O'], val_set['A'] = sa.calc_at_risk(X[fold_size:2*fold_size], T[fold_size:2*fold_size], O[fold_size:2*fold_size]); - - print '***Model Assesment***' - train_cost_list, cindex_train, test_cost_list, cindex_test, model, _ = train(pretrain_set, train_set, test_set, val_set, - pretrain_config, finetune_config, n_layers, n_hidden, coxphfit=False, - dropout_rate=do_rate, lambda1=lambda1, lambda2=lambda2, non_lin = nonlin, optim = opt, disp = True, earlystp = False ) - i = i + 1 - shuffleResults.append(cindex_test[-1]) - avg_cost += cindex_test[-1] - print expID , ' ', cindex_test[-1], 'average = ',avg_cost/i - ## write output to file - #outputFileName = os.path.join(resultPath, expID + 'final_model') - #f = file(outputFileName, 'wb') - #cPickle.dump(model, f, protocol=cPickle.HIGHEST_PROTOCOL) - #f.close() - outputFileName = resultPath + 'shuffle_cis' - sio.savemat(outputFileName, {'cis':shuffleResults})#, f, protocol=cPickle.HIGHEST_PROTOCOL) - print np.mean(shuffleResults), np.std(shuffleResults) -if __name__ == '__main__': - Run() diff --git a/data/Brain_Integ.mat b/data/Brain_Integ.mat new file mode 100644 index 0000000..5a5aee6 Binary files /dev/null and b/data/Brain_Integ.mat differ diff --git a/examples/Bayesian_Optimization.py b/examples/Bayesian_Optimization.py new file mode 100644 index 0000000..563e802 --- /dev/null +++ b/examples/Bayesian_Optimization.py @@ -0,0 +1,41 @@ +import bayesopt +import numpy as np +from time import clock +from CostFunction import cost_func + +def tune(): + """Tunes hyperparameters of a feed forward net using Bayesian Optimization. + + Returns: + mvalue: float. Best value of the cost function found using BayesOpt. + x_out: 1D array. Best hyper-parameters found. + """ + params = {} + params['n_iterations'] = 50 + params['n_iter_relearn'] = 1 + params['n_init_samples'] = 2 + + print "*** Model Selection with BayesOpt ***" + n = 6 # n dimensions + # params: #layer, width, dropout, nonlinearity, l1_rate, l2_rate + lb = np.array([1 , 10 , 0., 0., 0., 0.]) + ub = np.array([10, 500, 1., 1., 0., 0.]) + + start = clock() + mvalue, x_out, _ = bayesopt.optimize(cost_func, n, lb, ub, params) + + # Usage of BayesOpt with discrete set of values for hyper-parameters. + + #layers = [1, 3, 5, 7, 9, 10] + #hsizes = [10, 50, 100, 150, 200, 300] + #drates = [0.0, .1, .3, .5, .7, .9] + #x_set = np.array([[layers, hsizes, drates], dtype=float).transpose() + #mvalue, x_out, _ = bayesopt.optimize_discrete(cost_func, x_set, params) + + print "Result", mvalue, "at", x_out + print "Running time:", clock() - start, "seconds" + return mvalue, x_out + + +if __name__=='__main__': + tune() diff --git a/examples/CostFunction.py b/examples/CostFunction.py new file mode 100644 index 0000000..4449d87 --- /dev/null +++ b/examples/CostFunction.py @@ -0,0 +1,50 @@ +import os +from survivalnet.train import train +import numpy as np +import scipy.io as sio +from survivalnet.optimization import SurvivalAnalysis +import theano +import cPickle + +LEARNING_RATE = 0.001 +EPOCHS = 40 +OPTIM = 'GDLS' + + +def cost_func(params): + n_layers = int(params[0]) + n_hidden = int(params[1]) + do_rate = params[2] + nonlin = theano.tensor.nnet.relu if params[3] > .5 else np.tanh + lambda1 = params[4] + lambda2 = params[5] + + # Loads data sets saved by the Run.py module. + with open('train_set', 'rb') as f: + train_set = cPickle.load(f) + with open('val_set', 'rb') as f: + val_set = cPickle.load(f) + + pretrain_config = None #No pre-training + pretrain_set = None + + finetune_config = {'ft_lr':LEARNING_RATE, 'ft_epochs':EPOCHS} + + # Prints experiment identifier. + print('nl{}-hs{}-dor{}_nonlin{}'.format(str(n_layers), str(n_hidden), + str(do_rate), str(nonlin))) + + _, _, val_costs, val_cindices, _, _, _, maxIter = train(pretrain_set, + train_set, val_set, pretrain_config, finetune_config, n_layers, + n_hidden, dropout_rate=do_rate, lambda1=lambda1, lambda2=lambda2, + non_lin=nonlin, optim=OPTIM, verbose=False, earlystp=False) + + if not val_costs or np.isnan(val_costs[-1]): + print 'Skipping due to NAN' + return 1 + + return (1 - val_cindices[maxIter]) + +if __name__ == '__main__': + res = cost_func([1.0, 38.0, 0.3, 0.4, 0.00004, 0.00004]) + print res diff --git a/examples/ModelAnalysis.py b/examples/ModelAnalysis.py new file mode 100644 index 0000000..c4a7b4d --- /dev/null +++ b/examples/ModelAnalysis.py @@ -0,0 +1,32 @@ +import pickle +import scipy.io as sio +import survivalnet as sn + +# Integrated models. +# Defines model/dataset pairs. +ModelPaths = ['results/'] +Models = ['final_model'] +Data = ['data/Brain_Integ.mat'] + +# Loads datasets and performs feature analysis. +for i, Path in enumerate(ModelPaths): + + # Loads normalized data. + X = sio.loadmat(Data[i]) + + # Extracts relevant values. + Samples = X['Patients'] + Normalized = X['Integ_X'].astype('float32') + Raw = X['Integ_X_raw'].astype('float32') + Symbols = X['Integ_Symbs'] + Survival = X['Survival'] + Censored = X['Censored'] + + # Loads model. + f = open(Path + Models[i], 'rb') + Model = pickle.load(f) + f.close() + + sn.analysis.FeatureAnalysis(Model, Normalized, Raw, Symbols, + Survival, Censored, + Tau=5e-2, Path=Path) diff --git a/examples/Run.py b/examples/Run.py new file mode 100644 index 0000000..6d2982c --- /dev/null +++ b/examples/Run.py @@ -0,0 +1,148 @@ +import argparse +import sys +import Bayesian_Optimization as BayesOpt +import os +import scipy.io as sio +from survivalnet.optimization import SurvivalAnalysis +import numpy as np +from survivalnet.train import train +import theano +import cPickle + +N_SHUFFLES = 20 + +def Run(input_path, output_path, do_bayes_opt, feature_key, epochs): + if not os.path.exists(output_path): + os.makedirs(output_path) + """Runs the model selection and assesment of survivalnet. + + Arguments: + input_path: str. Path to dataset. The input dataset in this script is + expected to be a mat file contating 'Survival' and 'Censored' + keys in addition the the feature_key. + output_path: str. Path to save the model and results. + do_bayes_opt: bool. Whether to do Bayesian optimization of hyperparams. + feature_key: str. Key to the input data in the .mat file. + epochs: int. Number of training epochs. + """ + # Loading dataset. The model requires a nxp matrix of input data, nx1 array + # of time to event labels, and nx1 array of censoring status. + D = sio.loadmat(input_path) + T = np.asarray([t[0] for t in D['Survival']]).astype('float32') + # C is censoring status where 1 means incomplete folow-up. We change it to + # Observed status where 1 means death. + O = 1 - np.asarray([c[0] for c in D['Censored']]).astype('int32') + X = D[feature_key].astype('float32') + + # Optimization algorithm. + opt = 'GDLS' + + # Pretraining settings + # pretrain_config = {'pt_lr':0.01, 'pt_epochs':1000, + # 'pt_batchsize':None,'corruption_level':.3} + pretrain_config = None #No pre-training + + # The results in the paper are averaged over 20 random assignment of samples + # to training/validation/testing sets. + cindex_results =[] + avg_cost = 0 + for i in range(N_SHUFFLES): + # Sets random generator seed for reproducibility. + prng = np.random.RandomState(i) + order = prng.permutation(np.arange(len(X))) + X = X[order] + O = O[order] + T = T[order] + + # Uses the entire dataset for pretraining + pretrain_set = X + + # 'foldsize' denotes th number of samples used for testing. The same + # number of samples is used for model selection. + fold_size = int(20 * len(X) / 100) # 20% of the dataset. + train_set = {} + test_set = {} + val_set = {} + + # Caclulates the risk group for every patient i: patients whose time of + # death is greater than that of patient i. + sa = SurvivalAnalysis() + train_set['X'], train_set['T'], train_set['O'], train_set['A'] = sa.calc_at_risk( + X[2*fold_size:], + T[2*fold_size:], + O[2*fold_size:]); + test_set['X'], test_set['T'], test_set['O'], test_set['A'] = sa.calc_at_risk( + X[:fold_size], + T[:fold_size], + O[:fold_size]); + val_set['X'], val_set['T'], val_set['O'], val_set['A'] = sa.calc_at_risk( + X[fold_size:2*fold_size], + T[fold_size:2*fold_size], + O[fold_size:2*fold_size]); + + # Writes data sets for bayesopt cost function's use. + with file('train_set', 'wb') as f: + cPickle.dump(train_set, f, protocol=cPickle.HIGHEST_PROTOCOL) + with file('val_set', 'wb') as f: + cPickle.dump(val_set, f, protocol=cPickle.HIGHEST_PROTOCOL) + + if do_bayes_opt == True: + print '***Model Selection with BayesOpt for shuffle', str(i), '***' + _, bo_params = BayesOpt.tune() + n_layers = int(bo_params[0]) + n_hidden = int(bo_params[1]) + do_rate = bo_params[2] + nonlin = theano.tensor.nnet.relu if bo_params[3]>.5 else np.tanh + lambda1 = bo_params[4] + lambda2 = bo_params[5] + else: + n_layers = 1 + n_hidden = 100 + do_rate = 0.5 + lambda1 = 0 + lambda2 = 0 + nonlin = np.tanh # or nonlin = theano.tensor.nnet.relu + + # Prints experiment identifier. + expID = 'nl{}-hs{}-dor{}_nonlin{}_id{}'.format( + str(n_layers), str(n_hidden), str(do_rate), str(nonlin), str(i)) + + finetune_config = {'ft_lr':0.0001, 'ft_epochs':epochs} + + print '*** Model Assesment ***' + _, train_cindices, _, test_cindices, _, _, model, _ = train(pretrain_set, + train_set, test_set, pretrain_config, finetune_config, n_layers, + n_hidden, dropout_rate=do_rate, lambda1=lambda1, lambda2=lambda2, + non_lin=nonlin, optim=opt, verbose=True, earlystp=False) + cindex_results.append(test_cindices[-1]) + avg_cost += test_cindices[-1] + print expID , ' ', test_cindices[-1], 'average = ',avg_cost/(i+1) + print np.mean(cindex_results), np.std(cindex_results) + with file(os.path.join(output_path, 'final_model'), 'wb') as f: + cPickle.dump(model, f, protocol=cPickle.HIGHEST_PROTOCOL) + + outputFileName = os.path.join(output_path, 'c_index_list.mat') + sio.savemat(outputFileName, {'c_index':cindex_results}) + + +if __name__ == '__main__': + parser = argparse.ArgumentParser(prog='Run', + formatter_class=argparse.ArgumentDefaultsHelpFormatter, + description = 'Script to train survival net') + parser.add_argument('-ip', '--input_path', dest='input_path', + default='./data/Brain_Integ.mat', + help='Path specifying location of dataset.') + parser.add_argument('-sp', '--output_path', dest='output_path', + default='./results', + help='Path specifying where to save output files.') + parser.add_argument('-bo', '--bayes_opt', dest='do_bayes_opt', + default=False, action='store_true', + help='Pass this flag if you want to do Bayesian Optimization.') + parser.add_argument('-key', '--feature_key', dest='feature_key', + default='Integ_X', + help='Name of input features in the .mat file.') + parser.add_argument('-i', '--epochs', dest='epochs', default=40, type=int, + help='Number of training epochs.') + args = parser.parse_args() + Run(args.input_path, args.output_path, args.do_bayes_opt, args.feature_key, + args.epochs) diff --git a/fig1.pdf b/fig1.pdf deleted file mode 100644 index 8dba5ef..0000000 Binary files a/fig1.pdf and /dev/null differ diff --git a/panorg_Run.py b/panorg_Run.py deleted file mode 100644 index 3b962b4..0000000 --- a/panorg_Run.py +++ /dev/null @@ -1,344 +0,0 @@ -import survivalnet as sn -import sys -sys.path.append('./..') -import os -import scipy.io as sio -from time import clock -from survivalnet.optimization import SurvivalAnalysis -import Bayesian_Optimization as BayesOpt -import cPickle -import numpy as np -from survivalnet.train import train -import theano -import shutil -def OBU_Run(): - panorg = True - #where c-index and cost function values are saved - resultPath = os.path.join(os.getcwd(), 'results/final/UOB_Gene/') - if os.path.exists(resultPath): - shutil.rmtree(resultPath) - os.makedirs(resultPath) - else: - os.makedirs(resultPath) - path_br = 'data/panorgan/OBU/BRCA_Gene_Raw.mat' - path_ut = 'data/panorgan/OBU/UCEC_Gene_Raw.mat' - path_ov = 'data/panorgan/OBU/OV_Gene_Raw.mat' - opt = 'GDLS' - pretrain_config = None #No pre-training - pretrain_set = None #No pre-training - avg_cost = 0.0 - D_br = sio.loadmat(path_br) - D_ov = sio.loadmat(path_ov) - D_ut = sio.loadmat(path_ut) - - T_ov = np.asarray([t[0] for t in D_ov['Gene_Survival']]) - O_ov = 1 - np.asarray([c[0] for c in D_ov['Gene_Censored']]) - X_ov = D_ov['Gene_X'] - - T_ut = np.asarray([t[0] for t in D_ut['Gene_Survival']]) - O_ut = 1 - np.asarray([c[0] for c in D_ut['Gene_Censored']]) - X_ut = D_ut['Gene_X'] - - T_br = np.asarray([t[0] for t in D_br['Gene_Survival']]) - O_br = 1 - np.asarray([c[0] for c in D_br['Gene_Censored']]) - X_br = D_br['Gene_X'] - - # Use Bayesian Optimization for model selection, - #if false ,manually set parameters will be used - doBayesOpt = False - opt = 'GDLS' - #pretrain_config = {'pt_lr':0.01, 'pt_epochs':1000, 'pt_batchsize':None,'corruption_level':.3} - pretrain_config = None #No pre-training - numberOfShuffles = 1 - ft = np.multiply(np.ones((numberOfShuffles, 1)), 40) - shuffleResults =[] - avg_cost = 0 - i = 0 - while i < numberOfShuffles: - prng = np.random.RandomState(12) - order = prng.permutation(np.arange(len(X_br))) - X_br = X_br[order] - O_br = O_br[order] - T_br = T_br[order] - - #foldsize denotes th amount of data used for testing. The same amount - #of data is used for model selection. The rest is used for training. - fold_size = int(20 * len(X_br) / 100) - - train_set = {} - test_set = {} - if panorg: - X_raw = np.concatenate((X_ut, X_ov, X_br), axis = 0) - O = np.concatenate((O_ut, O_ov, O_br), axis = 0) - T = np.concatenate((T_ut, T_ov, T_br), axis = 0) - else: - X_raw = X_br - T = T_br - O = O_br - X_raw = X_raw[:, ~np.all(X_raw==0, axis=0)] - X = (X_raw - X_raw.mean(axis=0))/X_raw.std(axis=0) - X_train = X[:-1*fold_size] - O_train = O[:-1*fold_size] - T_train = T[:-1*fold_size] - - X_test = X[-fold_size:] - O_test = O[-fold_size:] - T_test = T[-fold_size:] - - #caclulate the risk group for every patient i: patients who die after i - sa = SurvivalAnalysis() - train_set['X'], train_set['T'], train_set['O'], train_set['A'] = sa.calc_at_risk(X_train, T_train, O_train); - test_set['X'], test_set['T'], test_set['O'], test_set['A'] = sa.calc_at_risk(X_test, T_test, O_test); - - if doBayesOpt == True: - print '***Model Selection with BayesOpt for shuffle', str(i), '***' - maxval, bo_params, err = BayesOpt.tune(i) - n_layers = bo_params[0] - n_hidden = bo_params[1] - do_rate = bo_params[2] - nonlin = theano.tensor.nnet.relu if bo_params[3]>.5 else np.tanh - else: - n_layers = 1 - n_hidden = 100 - do_rate = .5 - #nonlin = theano.tensor.nnet.relu - nonlin = np.tanh - - expID = 'nl' + str(n_layers) + '-' + 'hs' + str(n_hidden) + '-' + \ - 'dor'+ str(do_rate) + '-id' + str(i) - - finetune_config = {'ft_lr':0.01, 'ft_epochs':ft[i]} - print '***Model Assesment***' - train_cost_list, cindex_train, test_cost_list, cindex_test, model, _ = train(pretrain_set, train_set, test_set, - pretrain_config, finetune_config, n_layers, n_hidden, coxphfit=False, - dropout_rate=do_rate, non_lin = nonlin, optim = opt, disp = True, earlystp = False ) - i = i + 1 - shuffleResults.append(cindex_test[-1]) - avg_cost += cindex_test[-1] - print expID , ' ', cindex_test[-1], 'average = ',avg_cost/i - - #outputFileName = os.path.join(resultPath, expID + 'final_model') - #f = file(outputFileName, 'wb') - #cPickle.dump(model, f, protocol=cPickle.HIGHEST_PROTOCOL) - #f.close() - outputFileName = resultPath + 'shuffle_cis' - sio.savemat(outputFileName, {'cis':shuffleResults})#, f, protocol=cPickle.HIGHEST_PROTOCOL) - print np.mean(shuffleResults), np.std(shuffleResults) -def LUADSC_Run(): - panorg = True - #where c-index and cost function values are saved - resultPath = os.path.join(os.getcwd(), 'results/final/OVBRCA_Integ/') - if os.path.exists(resultPath): - shutil.rmtree(resultPath) - os.makedirs(resultPath) - else: - os.makedirs(resultPath) - path_br = 'data/panorgan/LUADSC/LUSC_Gene_Raw.mat' - path_ov = 'data/panorgan/LUADSC/LUAD_Gene_Raw.mat' - opt = 'GDLS' - pretrain_config = None #No pre-training - pretrain_set = None #No pre-training - avg_cost = 0.0 - D_br = sio.loadmat(path_br) - D_ov = sio.loadmat(path_ov) - T_ov = np.asarray([t[0] for t in D_ov['Gene_Survival']]) - O_ov = 1 - np.asarray([c[0] for c in D_ov['Gene_Censored']]) - ## PARSET - X_ov = D_ov['Gene_X'] - T_br = np.asarray([t[0] for t in D_br['Gene_Survival']]) - O_br = 1 - np.asarray([c[0] for c in D_br['Gene_Censored']]) - ## PARSET - X_br = D_br['Gene_X'] - - # Use Bayesian Optimization for model selection, - #if false ,manually set parameters will be used - doBayesOpt = True - opt = 'GDLS' - #pretrain_config = {'pt_lr':0.01, 'pt_epochs':1000, 'pt_batchsize':None,'corruption_level':.3} - pretrain_config = None #No pre-training - numberOfShuffles = 20 - ft = np.multiply(np.ones((numberOfShuffles, 1)), 40) - shuffleResults =[] - avg_cost = 0 - i = 0 - while i < numberOfShuffles: - prng = np.random.RandomState(i) - order = prng.permutation(np.arange(len(X_br))) - X_br = X_br[order] - O_br = O_br[order] - T_br = T_br[order] - - #foldsize denotes th amount of data used for testing. The same amount - #of data is used for model selection. The rest is used for training. - fold_size = int(20 * len(X_br) / 100) - - train_set = {} - test_set = {} - - #caclulate the risk group for every patient i: patients who die after i - sa = SurvivalAnalysis() - if panorg: - print X_ov.shape, X_br.shape - X_raw = np.concatenate((X_ov, X_br), axis = 0) - O = np.concatenate((O_ov, O_br), axis = 0) - T = np.concatenate((T_ov, T_br), axis = 0) - else: - X_raw = X_br - T = T_br - O = O_br - X_raw = X_raw[:, ~np.all(X_raw==0, axis=0)] - X = (X_raw - X_raw.mean(axis=0))/X_raw.std(axis=0) - X_train = X[:-1*fold_size] - O_train = O[:-1*fold_size] - T_train = T[:-1*fold_size] - - X_test = X[-fold_size:] - O_test = O[-fold_size:] - T_test = T[-fold_size:] - train_set['X'], train_set['T'], train_set['O'], train_set['A'] = sa.calc_at_risk(X_train, T_train, O_train); - test_set['X'], test_set['T'], test_set['O'], test_set['A'] = sa.calc_at_risk(X_test, T_test, O_test); - - if doBayesOpt == True: - print '***Model Selection with BayesOpt for shuffle', str(i), '***' - maxval, bo_params, err = BayesOpt.tune(i) - n_layers = bo_params[0] - n_hidden = bo_params[1] - do_rate = bo_params[2] - nonlin = theano.tensor.nnet.relu if bo_params[3]>.5 else np.tanh - else: - n_layers = 1 - n_hidden = 67 - do_rate = .35 - #nonlin = theano.tensor.nnet.relu - nonlin = np.tanh - - expID = 'nl' + str(n_layers) + '-' + 'hs' + str(n_hidden) + '-' + \ - 'dor'+ str(do_rate) + '-id' + str(i) - - finetune_config = {'ft_lr':0.01, 'ft_epochs':ft[i]} - print '***Model Assesment***' - train_cost_list, cindex_train, test_cost_list, cindex_test, model, _ = train(pretrain_set, train_set, test_set, - pretrain_config, finetune_config, n_layers, n_hidden, coxphfit=False, - dropout_rate=do_rate, non_lin = nonlin, optim = opt, disp = True, earlystp = False ) - i = i + 1 - shuffleResults.append(cindex_test[-1]) - avg_cost += cindex_test[-1] - print expID , ' ', cindex_test[-1], 'average = ',avg_cost/i - - #outputFileName = os.path.join(resultPath, expID + 'final_model') - #f = file(outputFileName, 'wb') - #cPickle.dump(model, f, protocol=cPickle.HIGHEST_PROTOCOL) - #f.close() - outputFileName = resultPath + 'shuffle_cis' - sio.savemat(outputFileName, {'cis':shuffleResults})#, f, protocol=cPickle.HIGHEST_PROTOCOL) - print np.mean(shuffleResults), np.std(shuffleResults) -def OVBRCA_Run(): - panorg = True - #where c-index and cost function values are saved - resultPath = os.path.join(os.getcwd(), 'results/final/OVBRCA_Integ/') - if os.path.exists(resultPath): - shutil.rmtree(resultPath) - os.makedirs(resultPath) - else: - os.makedirs(resultPath) - path_br = 'data/panorgan/OB/BRCA_Integ_Raw.mat' - path_ov = 'data/panorgan/OB/OV_Integ_Raw.mat' - opt = 'GDLS' - pretrain_config = None #No pre-training - pretrain_set = None #No pre-training - avg_cost = 0.0 - D_br = sio.loadmat(path_br) - D_ov = sio.loadmat(path_ov) - T_ov = np.asarray([t[0] for t in D_ov['Integ_Survival']]) - O_ov = 1 - np.asarray([c[0] for c in D_ov['Integ_Censored']]) - ## PARSET - X_ov = D_ov['Integ_X'] - T_br = np.asarray([t[0] for t in D_br['Integ_Survival']]) - O_br = 1 - np.asarray([c[0] for c in D_br['Integ_Censored']]) - ## PARSET - X_br = D_br['Integ_X'] - - # Use Bayesian Optimization for model selection, - #if false ,manually set parameters will be used - doBayesOpt = True - opt = 'GDLS' - #pretrain_config = {'pt_lr':0.01, 'pt_epochs':1000, 'pt_batchsize':None,'corruption_level':.3} - pretrain_config = None #No pre-training - numberOfShuffles = 20 - ft = np.multiply(np.ones((numberOfShuffles, 1)), 40) - shuffleResults =[] - avg_cost = 0 - i = 0 - while i < numberOfShuffles: - prng = np.random.RandomState(i) - order = prng.permutation(np.arange(len(X_br))) - X_br = X_br[order] - O_br = O_br[order] - T_br = T_br[order] - - #foldsize denotes th amount of data used for testing. The same amount - #of data is used for model selection. The rest is used for training. - fold_size = int(20 * len(X_br) / 100) - - train_set = {} - test_set = {} - - #caclulate the risk group for every patient i: patients who die after i - sa = SurvivalAnalysis() - if panorg: - print X_ov.shape, X_br.shape - X_raw = np.concatenate((X_ov, X_br), axis = 0) - O = np.concatenate((O_ov, O_br), axis = 0) - T = np.concatenate((T_ov, T_br), axis = 0) - else: - X_raw = X_br - T = T_br - O = O_br - X_raw = X_raw[:, ~np.all(X_raw==0, axis=0)] - X = (X_raw - X_raw.mean(axis=0))/X_raw.std(axis=0) - X_train = X[:-1*fold_size] - O_train = O[:-1*fold_size] - T_train = T[:-1*fold_size] - - X_test = X[-fold_size:] - O_test = O[-fold_size:] - T_test = T[-fold_size:] - train_set['X'], train_set['T'], train_set['O'], train_set['A'] = sa.calc_at_risk(X_train, T_train, O_train); - test_set['X'], test_set['T'], test_set['O'], test_set['A'] = sa.calc_at_risk(X_test, T_test, O_test); - - if doBayesOpt == True: - print '***Model Selection with BayesOpt for shuffle', str(i), '***' - maxval, bo_params, err = BayesOpt.tune(i) - n_layers = bo_params[0] - n_hidden = bo_params[1] - do_rate = bo_params[2] - nonlin = theano.tensor.nnet.relu if bo_params[3]>.5 else np.tanh - else: - n_layers = 1 - n_hidden = 67 - do_rate = .35 - #nonlin = theano.tensor.nnet.relu - nonlin = np.tanh - - expID = 'nl' + str(n_layers) + '-' + 'hs' + str(n_hidden) + '-' + \ - 'dor'+ str(do_rate) + '-id' + str(i) - - finetune_config = {'ft_lr':0.01, 'ft_epochs':ft[i]} - print '***Model Assesment***' - train_cost_list, cindex_train, test_cost_list, cindex_test, model, _ = train(pretrain_set, train_set, test_set, - pretrain_config, finetune_config, n_layers, n_hidden, coxphfit=False, - dropout_rate=do_rate, non_lin = nonlin, optim = opt, disp = True, earlystp = False ) - i = i + 1 - shuffleResults.append(cindex_test[-1]) - avg_cost += cindex_test[-1] - print expID , ' ', cindex_test[-1], 'average = ',avg_cost/i - - #outputFileName = os.path.join(resultPath, expID + 'final_model') - #f = file(outputFileName, 'wb') - #cPickle.dump(model, f, protocol=cPickle.HIGHEST_PROTOCOL) - #f.close() - outputFileName = resultPath + 'shuffle_cis' - sio.savemat(outputFileName, {'cis':shuffleResults})#, f, protocol=cPickle.HIGHEST_PROTOCOL) - print np.mean(shuffleResults), np.std(shuffleResults) -if __name__ == '__main__': - OBU_Run() diff --git a/requirements.txt b/requirements.txt index e69de29..1724708 100644 --- a/requirements.txt +++ b/requirements.txt @@ -0,0 +1,8 @@ +scipy==0.18.0 +setuptools==34.0.2 +numpy==1.12.0 +statsmodels==0.8.0 +matplotlib==1.4.3 +lifelines==0.8.0.0 +Theano==0.8.2 +bayesopt==0.3 diff --git a/results/Gradients.gct b/results/Gradients.gct new file mode 100644 index 0000000..da54dfd --- /dev/null +++ b/results/Gradients.gct @@ -0,0 +1,402 @@ +#1.2 +399 560 +NAME Description Sample.1 Sample.2 Sample.3 Sample.4 Sample.5 Sample.6 Sample.7 Sample.8 Sample.9 Sample.10 Sample.11 Sample.12 Sample.13 Sample.14 Sample.15 Sample.16 Sample.17 Sample.18 Sample.19 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b/results/c_index_list.mat new file mode 100644 index 0000000..d12668a Binary files /dev/null and b/results/c_index_list.mat differ diff --git a/results/glioma_integ_model b/results/glioma_integ_model new file mode 100644 index 0000000..bc65fea Binary files /dev/null and b/results/glioma_integ_model differ diff --git a/run.sh b/run.sh deleted file mode 100755 index 6e42c9f..0000000 --- a/run.sh +++ /dev/null @@ -1 +0,0 @@ -THEANO_FLAGS='openmp=True' OMP_NUM_THREADS=8 python Run.py diff --git a/setup.py b/setup.py index 8e7956f..1cf77d5 100644 --- a/setup.py +++ b/setup.py @@ -1,5 +1,5 @@ try: - from setuptools import setup + from setuptools import setup, find_packages except ImportError: from distutils.core import setup @@ -25,7 +25,7 @@ author='Emory University', author_email='lee.cooper@emory.edu', url='https://github.com/cooperlab/SurvivalNet', - packages=['survivalnet'], + packages=find_packages(), package_dir={'survivalnet': 'survivalnet'}, include_package_data=True, install_requires=requirements, diff --git a/survivalnet/__init__.py b/survivalnet/__init__.py index a47513c..c1d408a 100644 --- a/survivalnet/__init__.py +++ b/survivalnet/__init__.py @@ -1,6 +1,3 @@ -# must be imported before Run -from .train import train - # sub-package optimization must be imported before model from . import optimization @@ -10,6 +7,9 @@ # must be imported before Run from .train import train +# sub-packages with no internal dependencies +from . import analysis + # must be imported before Bayesian_Optimizaiton #from .CostFunction import cost_func, aggr_st_cost_func, st_cost_func @@ -17,7 +17,6 @@ #from .Run import Run - # list out things that are available for public use __all__ = ( @@ -27,4 +26,5 @@ # sub-packages 'model', 'optimization', + 'analysis', ) diff --git a/survivalnet/analysis/FeatureAnalysis.py b/survivalnet/analysis/FeatureAnalysis.py new file mode 100644 index 0000000..cb8587a --- /dev/null +++ b/survivalnet/analysis/FeatureAnalysis.py @@ -0,0 +1,127 @@ +import numpy as np +from .RiskCohort import RiskCohort +from .RiskCluster import RiskCluster +from .Visualization import _SplitSymbols +from .Visualization import _WrapSymbols +from .Visualization import RankedBox +from .Visualization import PairScatter +from .Visualization import KMPlots +from .WriteGCT import WriteGCT +from .WriteRNK import WriteRNK + + +def FeatureAnalysis(Model, Normalized, Raw, Symbols, Survival, Censored, + NBox=10, NScatter=10, NKM=10, NCluster=100, Tau=0.05, + Path=None): + """ + Generate visualizations of risk profiles. Backpropagation is used to + + Parameters: + ----------- + Model : class + Model generated by finetuning. + + Normalized : array_like + Numpy array containing normalized feature values used in training / + finetuning. These are used to examine associations between feature values + and cluster assignments. Features are in columns and samples are in rows. + + Raw : array_like + Numpy array containing raw, unnormalized feature values. These are used to + examine associations between feature values and cluster assignments. + Features are in columns and samples are in rows. + + Symbols : array_like + List containing strings describing features. See Notes below for + restrictions on symbol names. + + Survival : array_like + Array containing death or last followup values. + + Censored : array_like + Array containing vital status at last followup. 1 (alive) or 0 (deceased). + + NPlot : scalar + Number of features to include when generating boxplot. + Features are scored by absolute mean gradient and the highest N magnitude + features will be used to generate the plot. Default value = 10. + + NCluster : scalar + Number of features to include when generating cluster analysis. + Features are scored by absolute mean gradient and the highest N magnitude + features will be used to generate the plot. Default value = 100. + + Tau : scalar + Threshold for statistical significance when examining cluster associations. + + Path : string + Path to store .pdf versions of plots generated. + """ + + # wrap long symbols and remove leading and trailing whitespace + Corrected, Types = _SplitSymbols(Symbols) + Wrapped = _WrapSymbols(Corrected) + + # generate risk derivative profiles for cohort + print "Generting risk gradient profiles..." + Gradients = RiskCohort(Model, Normalized) + + # normalize risk derivative profiles + Gradients = Gradients / np.outer(np.linalg.norm(Gradients, axis=1), + np.ones((1, Gradients.shape[1]))) + + # re-order symbols, raw features, gradients by mean gradient value, trim + Means = np.asarray(np.mean(Gradients, axis=0)) + Order = np.argsort(-np.abs(Means)) + cSymbols = [Wrapped[i] for i in Order] + cTypes = [Types[i] for i in Order] + cRaw = Raw[:, Order] + cGradients = Gradients[:, Order] + + # generate ranked box plot series + print "Generating risk gradient boxplot..." + RBFig = RankedBox(cGradients[:, 0:NBox], + [cSymbols[i] for i in np.arange(NBox)], + [cTypes[i] for i in np.arange(NBox)], + XLabel='Model Features', YLabel='Risk Gradient') + + # generate paired scatter plot for gradients + print "Generating paired scatter gradient plots..." + PSGradFig = PairScatter(cGradients[:, 0:NScatter], + [cSymbols[i] for i in np.arange(NScatter)], + [cTypes[i] for i in np.arange(NScatter)]) + + # generate paired scatter plot for features + print "Generating paired scatter feature plots..." + PSFeatFig = PairScatter(cRaw[:, 0:NScatter], + [cSymbols[i] for i in np.arange(NScatter)], + [cTypes[i] for i in np.arange(NScatter)]) + + # generate cluster plot + print "Generating cluster analysis..." + CFig, Labels = RiskCluster(cGradients[:, 0:NCluster], cRaw[:, 0:NCluster], + [cSymbols[i] for i in np.arange(NCluster)], + [cTypes[i] for i in np.arange(NCluster)], + Tau) + + # generate Kaplan-Meier plots for individual features + print "Generating Kaplan-Meier plots..." + KMFigs = KMPlots(cGradients[:, 0:NKM], cRaw[:, 0:NKM], + [cSymbols[i] for i in np.arange(NKM)], + [cTypes[i] for i in np.arange(NKM)], + Survival, Censored) + + # save figures + print "Saving figures and outputs..." + if Path is not None: + # save standard figures + RBFig.savefig(Path + 'RankedBox.pdf') + PSGradFig.savefig(Path + 'PairedScatter.Gradient.pdf') + PSFeatFig.savefig(Path + 'PairedScatter.Feature.pdf') + CFig.savefig(Path + 'Heatmap.pdf') + for i, Figure in enumerate(KMFigs): + Figure.savefig(Path + 'KM.' + Symbols[Order[i]].strip() + '.pdf') + + # save tables + WriteRNK(Corrected, Means, Path + 'Gradients.rnk') + WriteGCT(Corrected, None, Gradients, Path + 'Gradients.gct') diff --git a/survivalnet/analysis/PathwayAnalysis.py b/survivalnet/analysis/PathwayAnalysis.py new file mode 100644 index 0000000..8b252ab --- /dev/null +++ b/survivalnet/analysis/PathwayAnalysis.py @@ -0,0 +1,122 @@ +import numpy as np +from .RiskCohort import RiskCohort +from .Visualization import _SplitSymbols +from .Visualization import _WrapSymbols +from .Visualization import RankedBar +from .Visualization import RankedBox +from .Visualization import PairScatter +from .Visualization import KMPlots + + +def PathwayAnalysis(Model, Normalized, Symbols, SetNames, Sets, + Survival, Censored, Alpha=0, GSEANormalize=False, + NPlot=10, Path=None): + """ + Pathway-based analysis of model sensitivity to inputs. Used with models + trained on pure gene expression features. Transforms risk gradients of + features obtained from backpropagation into pathway enrichment scores. + + Parameters: + ----------- + Model : class + Model class instance generated by finetuned training. + + Normalized : array_like + Numpy array containing normalized feature values used in training / + finetuning. These features will be mapped to gene pathways and should + populate the pathways densely, as with whole-exome RNA sequencing. + Features are in columns and samples are in rows. + + Symbols : array_like + List containing strings describing features. These symbols should be + harmonized with those used in the genesets for mapping between the two. + + SetNames : array_like + List of strings containing gene set names. + + Sets : array_like + List of lists with each containing the gene symbols for one gene set. + + Survival : array_like + Array containing death or last followup values. + + Censored : array_like + Array containing vital status at last followup. 1 (alive) or 0 (deceased). + + NPlot : scalar + Number of features to include when generating boxplot. + Features are scored by absolute mean gradient and the highest N magnitude + features will be used to generate the plot. Default value = 10. + + Path : string + Path to store .pdf versions of plots generated. + """ + + # wrap long gene set names and remove leading and trailing whitespace + CorrectedSetNames, Types = _SplitSymbols(SetNames) + CorrectedSetNames = _WrapSymbols(CorrectedSetNames) + + # trim gene symbols names + CorrectedSymbols = [Symbol[0:str.rfind(str(Symbol), '_')] + for Symbol in Symbols] + + # generate risk derivative profiles for cohort + print "Generting risk gradient profiles..." + Gradients = RiskCohort(Model, Normalized) + + # perform GSEA on mean feature risk profiles + ES = np.squeeze(SSGSEA(np.median(Gradients, axis=0)[np.newaxis, :], + CorrectedSymbols, Sets, Alpha, False)) + + # re-order pathways by mean absolute enrichment score + Order = np.argsort(-np.abs(ES)) + cSetNames = [CorrectedSetNames[i] for i in Order] + cTypes = Types + cES = ES[Order] + + # generate ranked bar plot + print "Generating mean enrichment score bar plot..." + BarFig = RankedBar(cES[0:NPlot], + [cSetNames[i] for i in np.arange(NPlot)], + [cTypes[i] for i in np.arange(NPlot)], + XLabel='Pathway', + YLabel='Enrichment Score') + + # perform SSGSEA on feature risk gradient profiles + SSES = SSGSEA(Gradients, CorrectedSymbols, Sets, Alpha, GSEANormalize) + + # re-order single-sample enrichment scores + cSSES = SSES[:, Order] + + # generate ranked box plot series + print "Generating single-sample enrichment boxplot..." + BoxFig = RankedBox(cSSES[:, 0:NPlot], + [cSetNames[i] for i in np.arange(NPlot)], + [cTypes[i] for i in np.arange(NPlot)], + XLabel='Pathway', + YLabel='Single-Sample Enrichment Score') + + # generate paired scatter plot for gradients + print "Generating single-sample enrichment scatter plots..." + PSGradFig = PairScatter(cSSES[:, 0:NPlot], + [cSetNames[i] for i in np.arange(NPlot)], + [cTypes[i] for i in np.arange(NPlot)]) + + # generate Kaplan-Meier plots for individual features + print "Generating single-sample enrichment Kaplan-Meier plots..." + KMFigs = KMPlots(cSSES[:, 0:NPlot], cSSES[:, 0:NPlot], + [cSetNames[i] for i in np.arange(NPlot)], + [cTypes[i] for i in np.arange(NPlot)], + Survival, Censored) + + # save figures + print "Saving figures..." + if Path is not None: + + # save standard figures + BarFig.savefig(Path + 'Pathway.Bar.pdf') + BoxFig.savefig(Path + 'Pathway.Box.pdf') + PSGradFig.savefig(Path + 'Pathway.PairedScatter.pdf') + for i, Figure in enumerate(KMFigs): + Figure.savefig(Path + 'Pathway.KM.' + + SetNames[Order[i]] + '.pdf') diff --git a/survivalnet/analysis/ReadGMT.py b/survivalnet/analysis/ReadGMT.py new file mode 100644 index 0000000..808b400 --- /dev/null +++ b/survivalnet/analysis/ReadGMT.py @@ -0,0 +1,61 @@ +def ReadGMT(File): + """ + Reads a Gene Matrix Transposed (GMT) text file defining gene sets to + generate lists containing gene set names, descriptions and gene set gene + symbols. + Parameters + ---------- + File : string + Filename and path to a GMT file containing gene sets. + Returns + ------- + GeneSets : array_like + A list of strings containing the gene set names. + Description : array_like + A list of strings containing the gene set descriptions. + Genes : array_like + A list of lists, each containing the gene symbols for each gene set. + Notes + ----- + Gene sets can be obtained from the Molecular Signatures Database (MSigDB) + at http://software.broadinstitute.org/gsea/msigdb/. + See Also + -------- + SSGSEA + """ + + # initialize lists for GeneSets, Links and Genes + SetNames = [] + Descriptions = [] + Genes = [] + + # open gmt file + with open(File, 'r') as gmt: + for Line in gmt: + + # parse line into geneset name, link and gene members + gs, desc, gn = _ParseLine(Line) + + # append gene set to outputs + SetNames.append(gs) + Descriptions.append(desc) + Genes.append(gn) + + return SetNames, Descriptions, Genes + + +def _ParseLine(String): + """ + Parses a GMT file line into gene set name, descriptions and gene symbols. + """ + + # split string into delimited components + Words = String.split() + + # extract gene set, link, genes + GeneSet = Words[0] + Description = Words[1] + Genes = Words[2:] + Genes.sort() + + return GeneSet, Description, Genes diff --git a/survivalnet/analysis/RiskCluster.py b/survivalnet/analysis/RiskCluster.py new file mode 100644 index 0000000..62dfbfb --- /dev/null +++ b/survivalnet/analysis/RiskCluster.py @@ -0,0 +1,290 @@ +import matplotlib as mpl +import matplotlib.pyplot as plt +import numpy as np +import scipy.cluster.hierarchy as sch +import scipy.spatial.distance as dist +from scipy.stats import chisquare +from scipy.stats.mstats import kruskalwallis + +# heatmap layout constants +WINDOW_HEIGHT = 30 +WINDOW_WIDTH = 30 +SPACING = 0.01 # spacing between plot elements +TRACK = 0.01 # height of individual track elements +FEATURE_W = 0.1 # width of left dendrogram (clustering of features) +FEATURE_X = SPACING # horizontal offset for left dendrogram +FEATURE_Y = SPACING # vertical offset for left dendrogram +HEATMAP_X = FEATURE_X + FEATURE_W + SPACING # horizontal offset for heatmap +HEATMAP_Y = FEATURE_Y # vertical offset for heatmap +HEATMAP_W = 1 - FEATURE_W - 3 * SPACING # width of heatmap +SAMPLE_H = 0.1 # height of top dendrogram (clustering of samples) +SAMPLE_W = HEATMAP_W # width of top dendrogram +SAMPLE_X = HEATMAP_X # horizontal offset of top dendrogram +TRACK_W = HEATMAP_W # width of tracks +TRACK_X = HEATMAP_X # horizontal offset of tracks + + +def RiskCluster(Gradients, Raw, Symbols, Types, Tau=0.05): + """ + Generates a clustering and heatmap given risk profiles generated by + Risk_Cohort. Analyzed features to identify and display cluster association + mutations and copy number variations. + + Parameters + ---------- + Gradients : array_like + Numpy array containing feature/sample gradients obtained by Risk_Cohort. + Features are in columns and samples are in rows. + + Raw : array_like + Numpy array containing raw, unnormalized feature values. These are used to + examine associations between feature values and cluster assignments. + Features are in columns and samples are in rows. + + Symbols : array_like + List containing strings describing features. + + Types: array_like + List containing strings describing feature types (e.g. CNV, Mut, Clinical). + See notes on allowed values of Types below. + + Tau : scalar + Threshold for statistical significance when examining cluster associations. + + Returns + ------- + Figure : figure handle + Handle to figure used for saving image to disk i.e. + Figure.savefig('heatmap.pdf') + + SampleIndices : array_like + Cluster labels for the risk-gradient clustering of input samples. + + Notes + ----- + Types like 'Mut' and 'CNV' that are generated as suffixes to feature names + by the package tcgaintegrator are required analysis. + + See Also + -------- + RiskCohort, Visualize + """ + + # copy data, re-order, normalize + Normalized = Gradients.copy() + Normalized = (Normalized - np.mean(Normalized, axis=0)) / \ + np.std(Normalized, axis=0) + + # transpose so that samples are in columns + Normalized = Normalized.transpose() + + # generate figure + Figure = plt.figure(figsize=(WINDOW_WIDTH, WINDOW_HEIGHT)) + + # cluster samples and generate dendrogram + SampleDist = dist.pdist(Normalized.T, 'correlation') + SampleDist = dist.squareform(SampleDist) + SampleLinkage = sch.linkage(SampleDist, method='average', + metric='correlation') + Labels = sch.fcluster(SampleLinkage, 0.7*max(SampleLinkage[:, 2]), + 'distance') + + # cluster features and generate dendrogram + FeatureDist = dist.pdist(Normalized, 'correlation') + FeatureDist = dist.squareform(FeatureDist) + FeatureLinkage = sch.linkage(FeatureDist, method='average', + metric='correlation') + + # capture cluster associations + Significant, SigTypes = ClusterAssociations(Raw, Symbols, Types, + Labels, Tau) + + # calculate layout parameters + TRACK_H = TRACK * len(Significant) # total height of tracks + HEATMAP_H = 1 - SAMPLE_H - TRACK_H - 4 * SPACING + TRACK_Y = HEATMAP_H + 2 * SPACING + FEATURE_H = HEATMAP_H + SAMPLE_Y = HEATMAP_H + TRACK_H + 3 * SPACING + + # layout and generate top dendrogram (samples) + SampleHandle = Figure.add_axes([SAMPLE_X, SAMPLE_Y, SAMPLE_W, SAMPLE_H], + frame_on=False) + SampleDendrogram = sch.dendrogram(SampleLinkage) + SampleHandle.set_xticks([]) + SampleHandle.set_yticks([]) + + # define sample order + SampleOrder = SampleDendrogram['leaves'] + + # layout and generate left dendrogram (features) + FeatureHandle = Figure.add_axes([FEATURE_X, FEATURE_Y, + FEATURE_W, FEATURE_H], + frame_on=False) + FeatureDendrogram = sch.dendrogram(FeatureLinkage, orientation='right') + FeatureHandle.set_xticks([]) + FeatureHandle.set_yticks([]) + + # reorder input matrices based on clustering and capture order + Reordered = Normalized[:, SampleDendrogram['leaves']] + Reordered = Reordered[FeatureDendrogram['leaves'], :] + + # layout and generate heatmap + Heatmap = Figure.add_axes([HEATMAP_X, HEATMAP_Y, HEATMAP_W, HEATMAP_H], + frame_on=False) + Heatmap.matshow(Reordered, aspect='auto', origin='lower', + cmap=plt.cm.bwr) + Heatmap.set_xticks([]) + Heatmap.set_yticks([]) + + # extract mutation values from raw features + SigMut = [Significant[i] for i, tpe in enumerate(SigTypes) if tpe == "Mut"] + Indices = [i for i, Symbol in enumerate(Symbols) if Symbol in set(SigMut)] + Mutations = Raw[:, Indices] + Mutations = Mutations[SampleOrder, :].T + + # extract CNV values from raw features + SigCNV = [Significant[i] for i, tpe in enumerate(SigTypes) if tpe == "CNV"] + Indices = [i for i, Symbol in enumerate(Symbols) if Symbol in set(SigCNV)] + CNVs = Raw[:, Indices] + CNVs = CNVs[SampleOrder, :].T + + # layout and generate mutation tracks + gm = Figure.add_axes([TRACK_X, TRACK_Y + len(SigCNV)*TRACK, + TRACK_W, TRACK_H - len(SigCNV)*TRACK], + frame_on=False) + cmap_g = mpl.colors.ListedColormap(['k', 'w']) + gm.matshow(Mutations, aspect='auto', origin='lower', cmap=cmap_g) + for i in range(len(SigMut)): + gm.text(-SPACING, i / np.float(len(SigMut)) + + 1/np.float(2*len(SigMut)), + SigMut[i], fontsize=6, + verticalalignment='center', + horizontalalignment='right', + transform=gm.transAxes) + gm.set_xticks([]) + gm.set_yticks([]) + + # layout and generate CNV tracks + cnv = Figure.add_axes([TRACK_X, TRACK_Y, + TRACK_W, TRACK_H - len(SigMut)*TRACK], + frame_on=False) + cnv.matshow(CNVs, aspect='auto', origin='lower', cmap=plt.cm.bwr, + vmin=-2, vmax=2) + for i in range(len(SigCNV)): + cnv.text(-SPACING, i / np.float(len(SigCNV)) + + 1/np.float(2*len(SigCNV)), + SigCNV[i], fontsize=6, + verticalalignment='center', + horizontalalignment='right', + transform=cnv.transAxes) + cnv.set_xticks([]) + cnv.set_yticks([]) + + # return cluster labels + return Figure, Labels + + +def ClusterAssociations(Raw, Symbols, Types, Labels, Tau=0.05): + """ + Examines associations between cluster assigments of samples and copy-number + and mutation events. + + Parameters + ---------- + Raw : array_like + Numpy array containing raw, unnormalized feature values. These are used to + examine associations between feature values and cluster assignments. + Features are in columns and samples are in rows. + + Symbols : array_like + List containing strings describing features. See Notes below for + restrictions on symbol names. + + Types: array_like + List containing strings describing feature types (e.g. CNV, Mut, Clinical). + See notes on allowed values of Types below. + + Labels : array_like + Cluster labels for the samples in 'Raw'. + + Tau : scalar + Threshold for statistical significance when examining cluster associations. + + Returns + ------- + Significant : array_like + List of copy number and mutation features from 'Raw' that are significantly + associated with the clustering 'Labels'. + + SigTypes : array_like + List of types for significant features. + + Notes + ----- + Types like 'Mut' and 'CNV' that are generated as suffixes to feature names + by the package tcgaintegrator are required analysis. + + See Also + -------- + RiskCohort, RiskCluster + """ + + # initialize list of symbols with significant associations and their types + Significant = [] + SigTypes = [] + + # identify mutations and CNVs + Mutations = [index for index, tpe in enumerate(Types) if tpe == "Mut"] + CNVs = [index for index, tpe in enumerate(Types) if tpe == "CNV"] + + # test mutation associations + for i in np.arange(len(Mutations)): + + # build contingency table - expected and observed + Observed = np.zeros((2, np.max(Labels))) + for j in np.arange(1, np.max(Labels)+1): + Observed[0, j-1] = np.sum(Raw[Labels == j, Mutations[i]] == 0) + Observed[1, j-1] = np.sum(Raw[Labels == j, Mutations[i]] == 1) + RowSum = np.sum(Observed, axis=0) + ColSum = np.sum(Observed, axis=1) + Expected = np.outer(ColSum, RowSum) / np.sum(Observed.flatten()) + + # perform test + stat, p = chisquare(Observed, Expected, ddof=1, axis=None) + if p < Tau: + Significant.append(Symbols[Mutations[i]]) + SigTypes.append(Types[Mutations[i]]) + + # copy number associations + for i in np.arange(len(CNVs)): + + # separate out CNV values by cluster and perform test - hack for bad + # interfact to scipy kruskalwallis + if(np.max(Labels) == 2): + CNV1 = Raw[Labels == 1, CNVs[i]] + CNV2 = Raw[Labels == 2, CNVs[i]] + stat, p = kruskalwallis(CNV1, CNV2) + elif(np.max(Labels) == 3): + CNV1 = Raw[Labels == 1, CNVs[i]] + CNV2 = Raw[Labels == 2, CNVs[i]] + CNV3 = Raw[Labels == 3, CNVs[i]] + stat, p = kruskalwallis(CNV1, CNV2, CNV3) + elif(np.max(Labels) == 4): + CNV1 = Raw[Labels == 1, CNVs[i]] + CNV2 = Raw[Labels == 2, CNVs[i]] + CNV3 = Raw[Labels == 3, CNVs[i]] + CNV4 = Raw[Labels == 4, CNVs[i]] + stat, p = kruskalwallis(CNV1, CNV2, CNV3, CNV4) + elif(np.max(Labels) == 5): + CNV1 = Raw[Labels == 1, CNVs[i]] + CNV2 = Raw[Labels == 2, CNVs[i]] + CNV3 = Raw[Labels == 3, CNVs[i]] + CNV4 = Raw[Labels == 4, CNVs[i]] + CNV5 = Raw[Labels == 5, CNVs[i]] + stat, p = kruskalwallis(CNV1, CNV2, CNV3, CNV4, CNV5) + if p < Tau: + Significant.append(Symbols[CNVs[i]]) + SigTypes.append(Types[CNVs[i]]) + + # return names of features with significant associations + return Significant, SigTypes diff --git a/survivalnet/analysis/RiskCohort.py b/survivalnet/analysis/RiskCohort.py new file mode 100644 index 0000000..05eacdc --- /dev/null +++ b/survivalnet/analysis/RiskCohort.py @@ -0,0 +1,93 @@ +import numpy as np +import theano as th +import theano.tensor as T + + +def RiskCohort(Model, Features): + """ + Generates partial derivative weights of features and risk for the given + model and profiles. Generates mean and standard deviation of these partial + derivative weights. + + Parameters: + ---------- + Model : theano deep learning model + a theano Neuralnetwork model containing theano functions to feed the + model with a profile of feature values. + + Profiles : array_like + a matrix of profiles containing features value to be used as a input + for feeding the model. + + Output : + -------- + Gradients: numpy matrix + A [N*D] matrix contains feature weights.(N = number of profiles and D = + number of features(dimention of input to the model )). each row contains + feature weights of Correspondence profile in profiles matrix. + + Gradients_mean: numpy matrix + a [ 1 * D] matrix contains mean value of feautre weights. + + Gradients_std: numpy matrix + a [ 1 * D] matrix contains standrad deviation of feautre weights. + """ + + # initialize container for risk gradient profiles + Gradients = np.zeros(Features.shape) + + # copy input to matrix for Theano + Matrix = np.matrix(Features) + + # iterate through samples, calculating risk gradient profile for each + for i in np.arange(Features.shape[0]): + Gradients[i, :] = _RiskBackpropagate(Model, Matrix[i, :]) + + return Gradients + + +def _RiskBackpropagate(Model, Features): + """ + Generates partial derivatives of input features in a neural network model. + These represent the rate of change of risk with respect to each input + feature. + + Parameters: + ---------- + Model : class + A fine tuned model generated by training. + + Features : array_like + A 1 x P numpy array of features corresponding to one sample. + + Output: + ---------- + Gradient : array_like + A 1 + an array of the feature weights. + """ + + # define partial derivative + X = T.matrix('X') + AtRisk = T.ivector('AtRisk') + Observed = T.ivector('Observed') + Is_train = T.scalar('Is_train', dtype='int32') + masks = T.lmatrix('mask_' + str(0)) + partial_derivative = th.function(on_unused_input='ignore', + inputs=[X, AtRisk, Observed, Is_train, masks], + outputs=T.grad(Model.risk_layer.output[0], + Model.x), + givens={Model.x: X, Model.o: AtRisk, + Model.at_risk: Observed, + Model.is_train: Is_train, + Model.masks[0]: masks}, + name='partial_derivative') + + # define parameters for risk and calculate partial + sample_O = np.array([0]).astype(np.int32) + sample_T = np.array([0]).astype(np.int32) + # Create dummy masks for graph + dummy_masks = np.ones((1, Model.n_hidden), dtype='int64') + Gradient = partial_derivative(Features, sample_O, sample_T, 0, dummy_masks) + + return Gradient diff --git a/survivalnet/analysis/Visualization.py b/survivalnet/analysis/Visualization.py new file mode 100644 index 0000000..e73505f --- /dev/null +++ b/survivalnet/analysis/Visualization.py @@ -0,0 +1,619 @@ +from lifelines import KaplanMeierFitter +from lifelines.statistics import logrank_test +import matplotlib.pyplot as plt +import numpy as np +from statsmodels.nonparametric.smoothers_lowess import lowess +from textwrap import wrap + +# define colors for positive risk (red) and negative risk (blue) +REDFACE = '#DE2D26' +BLUEFACE = '#3182BD' +REDEDGE = '#DE2D26' +BLUEEDGE = '#3182BD' +MEDIAN = '#000000' +WHISKER = '#AAAAAA' +POINTS = '#000000' +GRID = '#BBBBBB' + +# layout constants for boxplot +BOX_HSPACE = 0.15 +BOX_VSPACE = 0.4 +BOX_FH = 5 # boxplot figure width +BOX_FW = 8 # boxplot figure height +JITTER = 0.08 +BOX_FONT = 8 + +# layout constants for pairwise feature plot +PAIR_FW = 10 +PAIR_SPACING = 0.1 + +# layout constants for survival plot +SURV_FW = 10 +SURV_FH = 6 +SURV_HSPACE = 0.1 +SURV_VSPACE = 0.1 +SURV_FONT = 8 + + +def RankedBar(Profile, Symbols, Types, XLabel=None, YLabel=None): + """ + Generates a bar plot of feature gradients or enrichment scores ranked by + magnitude. + + Parameters: + ---------- + Profile : array_like + Numpy array containing 1-dimensional feature/sample gradients or enrichment + scoresobtained. + + Symbols : array_like + List containing strings describing features in profile. + + Types : array_like + List containing strings describing feature types (e.g. CNV, Mut, Clinical). + + XLabel : string + Label for y axis. Default value = None + + YLabel : string + Label for y axis. Default value = None + + Returns: + -------- + Figure : figure handle + Handle to figure used for saving image to disk i.e. + Figure.savefig('heatmap.pdf') + + Notes: + ------ + Features are displayed in the order they are provided. Any sorting should + happen prior to calling. + """ + + # generate figure and add axes + Figure = plt.figure(figsize=(BOX_FW, BOX_FH), facecolor='white') + Axes = Figure.add_axes([BOX_HSPACE, BOX_VSPACE, + 1-BOX_HSPACE, 1-BOX_VSPACE], + frame_on=False) + Axes.set_axis_bgcolor('white') + + # generate bars + Bars = Axes.bar(np.linspace(1, len(Profile), len(Profile)), Profile, + align='center') + + # modify box styling + for i, bar in enumerate(Bars): + if Profile[i] <= 0: + bar.set(color=BLUEEDGE, linewidth=2) + bar.set(facecolor=BLUEFACE) + else: + bar.set(color=REDEDGE, linewidth=2) + bar.set(facecolor=REDFACE) + + # set limits + Axes.set_ylim(1.05 * Profile.min(), 1.05 * Profile.max()) + + # format x axis + if XLabel is not None: + plt.xlabel(XLabel) + plt.xticks(np.linspace(1, len(Profile), len(Profile)), + [Symbols[i] + " _" + Types[i] for i in np.arange(len(Profile))], + rotation='vertical', fontsize=BOX_FONT) + Axes.set_xticks(np.linspace(1.5, len(Profile)-0.5, + len(Profile)-1), minor=True) + Axes.xaxis.set_ticks_position('bottom') + + # format y axis + if YLabel is not None: + plt.ylabel(YLabel) + Axes.yaxis.set_ticks_position('left') + + # add grid lines and zero line + Axes.xaxis.grid(True, color=GRID, linestyle='-', which='minor') + plt.plot([0, len(Profile)+0.5], [0, 0], color='black') + + return Figure + + +def RankedBox(Gradients, Symbols, Types, XLabel=None, YLabel=None): + """ + Generates boxplot series of feature gradients ranked by absolute magnitude. + + Parameters: + ---------- + Gradients : array_like + Numpy array containing feature/sample gradients obtained by RiskCohort. + Features are in columns and samples are in rows. + + Symbols : array_like + List containing strings describing features. + + Types: array_like + List containing strings describing feature types (e.g. CNV, Mut, Clinical). + + XLabel : string + Label for y axis. Default value = None + + YLabel : string + Label for y axis. Default value = None + + Returns: + -------- + Figure : figure handle + Handle to figure used for saving image to disk i.e. + Figure.savefig('heatmap.pdf') + + Notes: + ------ + Features are displayed in the order they are provided. Any sorting should + happen prior to calling. + """ + + # generate figure and add axes + Figure = plt.figure(figsize=(BOX_FW, BOX_FH), facecolor='white') + Axes = Figure.add_axes([BOX_HSPACE, BOX_VSPACE, + 1-BOX_HSPACE, 1-BOX_VSPACE], + frame_on=False) + Axes.set_axis_bgcolor('white') + + # generate boxplots + Box = Axes.boxplot(Gradients, patch_artist=True, showfliers=False) + + # set global properties + plt.setp(Box['medians'], color=MEDIAN, linewidth=1) + plt.setp(Box['whiskers'], color=WHISKER, linewidth=1, linestyle='-') + plt.setp(Box['caps'], color=WHISKER, linewidth=1) + + # modify box styling + for i, box in enumerate(Box['boxes']): + if np.mean(Gradients[:, i]) <= 0: + box.set(color=BLUEEDGE, linewidth=2) + box.set(facecolor=BLUEFACE) + else: + box.set(color=REDEDGE, linewidth=2) + box.set(facecolor=REDFACE) + + # add jittered data overlays + for i in np.arange(Gradients.shape[1]): + plt.scatter(np.random.normal(i+1, JITTER, size=Gradients.shape[0]), + Gradients[:, i], color=POINTS, alpha=0.2, + marker='o', s=2, zorder=100) + + # set limits + Axes.set_ylim(1.05 * Gradients.min(), 1.05 * Gradients.max()) + + # format x axis + if XLabel is not None: + plt.xlabel(XLabel) + plt.xticks(np.linspace(1, Gradients.shape[1], Gradients.shape[1]), + [Symbols[i] + " _" + Types[i] for i in + np.arange(Gradients.shape[1])], + rotation='vertical', fontsize=BOX_FONT) + Axes.set_xticks(np.linspace(1.5, Gradients.shape[1]-0.5, + Gradients.shape[1]-1), minor=True) + Axes.xaxis.set_ticks_position('bottom') + + # format y axis + if YLabel is not None: + plt.ylabel(YLabel) + Axes.yaxis.set_ticks_position('left') + + # add grid lines and zero line + Axes.xaxis.grid(True, color=GRID, linestyle='-', which='minor') + plt.plot([0, Gradients.shape[1]+0.5], [0, 0], color='black') + + return Figure + + +def PairScatter(Gradients, Symbols, Types): + """ + Generates boxplot series of feature gradients ranked by absolute magnitude. + + Parameters: + ---------- + + Gradients : array_like + Numpy array containing feature/sample gradients obtained by RiskCohort. + Features are in columns and samples are in rows. + + Symbols : array_like + List containing strings describing features. + + Types: array_like + List containing strings describing feature types (e.g. CNV, Mut, Clinical). + + Returns: + -------- + Figure : figure handle + Handle to figure used for saving image to disk i.e. + Figure.savefig('heatmap.pdf') + + Notes: + ------ + Features are displayed in the order they are provided. Any sorting should + happen prior to calling. + """ + + # calculate means, standard deviations + Means = np.asarray(np.mean(Gradients, axis=0)) + Std = np.asarray(np.std(Gradients, axis=0)) + + # generate subplots + Figure, Axes = plt.subplots(nrows=Gradients.shape[1], + ncols=Gradients.shape[1], + figsize=(PAIR_FW, PAIR_FW), + facecolor='white') + Figure.subplots_adjust(hspace=PAIR_SPACING, wspace=PAIR_SPACING, + bottom=PAIR_SPACING) + + # remove axes and ticks + for ax in Axes.flat: + ax.xaxis.set_visible(False) + ax.yaxis.set_visible(False) + + # generate scatter plots in lower triangular portion + for i, j in zip(*np.triu_indices_from(Axes, k=1)): + Axes[i, j].scatter((Gradients[:, j]-Means[j]) / Std[j], + (Gradients[:, i]-Means[i]) / Std[i], + color=POINTS, alpha=0.2, marker='o', s=2) + Smooth = lowess((Gradients[:, j]-Means[j]) / Std[j], + (Gradients[:, i]-Means[i]) / Std[i]) + Axes[i, j].plot(Smooth[:, 1], Smooth[:, 0], color='red') + + # generate histograms on diagonal + for i in np.arange(Gradients.shape[1]): + if Means[i] <= 0: + Axes[i, i].hist(Gradients[:, i], + facecolor=BLUEFACE, + alpha=0.8) + else: + Axes[i, i].hist(Gradients[:, i], + facecolor=REDFACE, + alpha=0.8) + Axes[i, i].annotate(Symbols[i] + " _" + Types[i], (0, 0), + xycoords='axes fraction', + ha='right', va='top', + rotation=45) + + # delete unused axes + for i, j in zip(*np.tril_indices_from(Axes, k=-1)): + Figure.delaxes(Axes[i, j]) + + return Figure + + +def KMPlots(Gradients, Raw, Symbols, Types, Survival, Censored): + + """ + Generates KM plots for individual features ranked by absolute magnitude. + + Parameters: + ---------- + + Gradients : array_like + Numpy array containing feature/sample gradients obtained by RiskCohort. + Features are in columns and samples are in rows. + + Raw : array_like + Numpy array containing raw, unnormalized feature values. These are used to + examine associations between feature values and cluster assignments. + Features are in columns and samples are in rows. + + Symbols : array_like + List containing strings describing features. + + Types: array_like + List containing strings describing feature types (e.g. CNV, Mut, Clinical). + See notes on allowed values of Types below. + + Survival : array_like + Array containing death or last followup values. + + Censored : array_like + Array containing vital status at last followup. 1 (alive) or 0 (deceased). + + Returns + ------- + Figures : figure handle + List containing handles to figures. + + Names : array_like + List of feature names for figures in 'Figures' + + Notes + ----- + Types like 'Mut' and 'CNV' that are generated as suffixes to feature names + by the package tcgaintegrator are required analysis. + Note this uses feature values as opposed to back-propagated risk gradients. + Features are displayed in the order they are provided. Any sorting should + happen prior to calling. + """ + + # initialize list of figures and names + Figures = [] + + # generate Kaplan Meier fitter + kmf = KaplanMeierFitter() + + # generate KM plot for each feature + for count, i in enumerate(np.arange(Gradients.shape[1])): + + # generate figure and axes + Figures.append(plt.figure(figsize=(SURV_FW, SURV_FH), + facecolor='white')) + Axes = Figures[count].add_axes([SURV_HSPACE, SURV_VSPACE, + 1-2*SURV_HSPACE, 1-2*SURV_VSPACE]) + + # initialize log-rank test result + LogRank = None + + if Types[i] == 'Clinical': + + # get unique values to determine if binary or continuous + Unique = np.unique(Raw[:, i]) + + # process based on variable type + if Unique.size == 2: + + # extract and plot mutant and wild-type survival profiles + if np.sum(Raw[:, i] == Unique[0]): + kmf.fit(Survival[Raw[:, i] == Unique[0]], + 1-Censored[Raw[:, i] == Unique[0]] == 1, + label=Symbols[i] + str(Unique[0])) + kmf.plot(ax=Axes, show_censors=True) + if np.sum(Raw[:, i] == Unique[1]): + kmf.fit(Survival[Raw[:, i] == Unique[1]], + 1-Censored[Raw[:, i] == Unique[1]] == 1, + label=Symbols[i] + str(Unique[1])) + kmf.plot(ax=Axes, show_censors=True) + if np.sum(Raw[:, i] == Unique[0]) & \ + np.sum(Raw[:, i] == Unique[1]): + LogRank = logrank_test(Survival[Raw[:, i] == Unique[0]], + Survival[Raw[:, i] == Unique[1]], + 1-Censored[Raw[:, i] == Unique[0]] + == 1, + 1-Censored[Raw[:, i] == Unique[1]] + == 1) + plt.ylim(0, 1) + if LogRank is not None: + plt.title('Logrank p=' + str(LogRank.p_value)) + lg = plt.gca().get_legend() + plt.setp(lg.get_texts(), fontsize=SURV_FONT) + + else: + + # determine median value + Median = np.median(Raw[:, i]) + + # extract and altered and unaltered survival profiles + if np.sum(Raw[:, i] > Median): + kmf.fit(Survival[Raw[:, i] > Median], + 1-Censored[Raw[:, i] > Median] == 1, + label=Symbols[i] + " > " + str(Median)) + kmf.plot(ax=Axes, show_censors=True) + if np.sum(Raw[:, i] <= Median): + kmf.fit(Survival[Raw[:, i] <= Median], + 1-Censored[Raw[:, i] <= Median] == 1, + label=Symbols[i] + " <= " + str(Median)) + kmf.plot(ax=Axes, show_censors=True) + if np.sum(Raw[:, i] > Median) & np.sum(Raw[:, i] <= Median): + LogRank = logrank_test(Survival[Raw[:, i] > Median], + Survival[Raw[:, i] <= Median], + 1-Censored[Raw[:, i] > Median] + == 1, + 1-Censored[Raw[:, i] <= Median] + == 1) + plt.ylim(0, 1) + if LogRank is not None: + plt.title('Logrank p=' + str(LogRank.p_value)) + lg = plt.gca().get_legend() + plt.setp(lg.get_texts(), fontsize=SURV_FONT) + + elif Types[i] == 'Mut': + + # extract and plot mutant and wild-type survival profiles + if np.sum(Raw[:, i] == 1): + kmf.fit(Survival[Raw[:, i] == 1], + 1-Censored[Raw[:, i] == 1] == 1, + label=Symbols[i] + " Mutant") + kmf.plot(ax=Axes, show_censors=True) + if np.sum(Raw[:, i] == 0): + kmf.fit(Survival[Raw[:, i] == 0], + 1-Censored[Raw[:, i] == 0] == 1, + label=Symbols[i] + " WT") + kmf.plot(ax=Axes, show_censors=True) + if np.sum(Raw[:, i] == 1) & np.sum(Raw[:, i] == 0): + LogRank = logrank_test(Survival[Raw[:, i] == 0], + Survival[Raw[:, i] == 1], + 1-Censored[Raw[:, i] == 0] == 1, + 1-Censored[Raw[:, i] == 1] == 1) + plt.ylim(0, 1) + lg = plt.gca().get_legend() + if LogRank is not None: + plt.title('Logrank p=' + str(LogRank.p_value)) + plt.setp(lg.get_texts(), fontsize=SURV_FONT) + + elif Types[i] == 'CNV': + + # determine if alteration is amplification or deletion + Amplified = np.mean(Raw[:, i]) > 0 + + # extract and plot altered and unaltered survival profiles + if Amplified: + kmf.fit(Survival[Raw[:, i] > 0], + 1-Censored[Raw[:, i] > 0] == 1, + label=Symbols[i] + " " + Types[i] + " Amplified") + kmf.plot(ax=Axes, show_censors=True) + if(np.sum(Raw[:, i] <= 0)): + kmf.fit(Survival[Raw[:, i] <= 0], + 1-Censored[Raw[:, i] <= 0] == 1, + label=Symbols[i] + " " + Types[i] + + " not Amplified") + kmf.plot(ax=Axes, show_censors=True) + LogRank = logrank_test(Survival[Raw[:, i] > 0], + Survival[Raw[:, i] <= 0], + 1-Censored[Raw[:, i] > 0] == 1, + 1-Censored[Raw[:, i] <= 0] == 1) + else: + kmf.fit(Survival[Raw[:, i] < 0], + 1-Censored[Raw[:, i] < 0] == 1, + label=Symbols[i] + " " + Types[i] + " Deleted") + kmf.plot(ax=Axes, show_censors=True) + if(np.sum(Raw[:, i] >= 0)): + kmf.fit(Survival[Raw[:, i] >= 0], + 1-Censored[Raw[:, i] >= 0] == 1, + label=Symbols[i] + " " + Types[i] + " not Deleted") + kmf.plot(ax=Axes, show_censors=True) + LogRank = logrank_test(Survival[Raw[:, i] < 0], + Survival[Raw[:, i] >= 0], + 1-Censored[Raw[:, i] < 0] == 1, + 1-Censored[Raw[:, i] >= 0] == 1) + if LogRank is not None: + plt.title('Logrank p=' + str(LogRank.p_value)) + plt.ylim(0, 1) + lg = plt.gca().get_legend() + plt.setp(lg.get_texts(), fontsize=SURV_FONT) + + elif Types[i] == 'CNVArm': + + # determine if alteration is amplification or deletion + Amplified = np.mean(Raw[:, i]) > 0 + + # extract and plot altered and unaltered survival profiles + if Amplified: + if(np.sum(Raw[:, i] > 0.25)): + kmf.fit(Survival[Raw[:, i] > 0.25], + 1-Censored[Raw[:, i] > 0.25] == 1, + label=Symbols[i] + " " + Types[i] + " Amplified") + kmf.plot(ax=Axes, show_censors=True) + if(np.sum(Raw[:, i] <= 0.25)): + kmf.fit(Survival[Raw[:, i] <= 0.25], + 1-Censored[Raw[:, i] <= 0.25] == 1, + label=Symbols[i] + " " + Types[i] + + " not Amplified") + kmf.plot(ax=Axes, show_censors=True) + if(np.sum(Raw[:, i] > 0.25) & np.sum(Raw[:, i] <= 0.25)): + LogRank = logrank_test(Survival[Raw[:, i] > 0.25], + Survival[Raw[:, i] <= 0.25], + 1-Censored[Raw[:, i] > 0.25] == 1, + 1-Censored[Raw[:, i] <= 0.25] == 1) + else: + if np.sum(Raw[:, i] < -0.25): + kmf.fit(Survival[Raw[:, i] < -0.25], + 1-Censored[Raw[:, i] < -0.25] == 1, + label=Symbols[i] + " " + Types[i] + " Deleted") + kmf.plot(ax=Axes, show_censors=True) + if np.sum(Raw[:, i] >= -0.25): + kmf.fit(Survival[Raw[:, i] >= -0.25], + 1-Censored[Raw[:, i] >= -0.25] == 1, + label=Symbols[i] + " " + Types[i] + " not Deleted") + kmf.plot(ax=Axes, show_censors=True) + if np.sum(Raw[:, i] < -0.25) & np.sum(Raw[:, i] >= -0.25): + LogRank = logrank_test(Survival[Raw[:, i] < -0.25], + Survival[Raw[:, i] >= -0.25], + 1-Censored[Raw[:, i] < -0.25] == 1, + 1-Censored[Raw[:, i] >= -0.25] == 1) + plt.ylim(0, 1) + lg = plt.gca().get_legend() + if LogRank is not None: + plt.title('Logrank p=' + str(LogRank.p_value)) + plt.setp(lg.get_texts(), fontsize=SURV_FONT) + + elif (Types[i] == 'Protein') or (Types[i] == 'mRNA'): + + # determine median expression + Median = np.median(Raw[:, i]) + + # extract and altered and unaltered survival profiles + if np.sum(Raw[:, i] > Median): + kmf.fit(Survival[Raw[:, i] > Median], + 1-Censored[Raw[:, i] > Median] == 1, + label=Symbols[i] + " " + Types[i] + + " Higher Expression") + kmf.plot(ax=Axes, show_censors=True) + if np.sum(Raw[:, i] <= Median): + kmf.fit(Survival[Raw[:, i] <= Median], + 1-Censored[Raw[:, i] <= Median] == 1, + label=Symbols[i] + " " + Types[i] + + " Lower Expression") + kmf.plot(ax=Axes, show_censors=True) + if np.sum(Raw[:, i] > Median) & np.sum(Raw[:, i] <= Median): + LogRank = logrank_test(Survival[Raw[:, i] > Median], + Survival[Raw[:, i] <= Median], + 1-Censored[Raw[:, i] > Median] == 1, + 1-Censored[Raw[:, i] <= Median] == 1) + plt.ylim(0, 1) + if LogRank is not None: + plt.title('Logrank p=' + str(LogRank.p_value)) + lg = plt.gca().get_legend() + plt.setp(lg.get_texts(), fontsize=SURV_FONT) + + elif (Types[i] == 'PATHWAY'): + + # determine median expression + Median = np.median(Raw[:, i]) + + # extract and altered and unaltered survival profiles + if np.sum(Raw[:, i] > Median): + kmf.fit(Survival[Raw[:, i] > Median], + 1-Censored[Raw[:, i] > Median] == 1, + label=Symbols[i] + " Higher Enrichment") + kmf.plot(ax=Axes, show_censors=True) + if np.sum(Raw[:, i] <= Median): + kmf.fit(Survival[Raw[:, i] <= Median], + 1-Censored[Raw[:, i] <= Median] == 1, + label=Symbols[i] + " Lower Enrichment") + kmf.plot(ax=Axes, show_censors=True) + if np.sum(Raw[:, i] > Median) & np.sum(Raw[:, i] <= Median): + LogRank = logrank_test(Survival[Raw[:, i] > Median], + Survival[Raw[:, i] <= Median], + 1-Censored[Raw[:, i] > Median] == 1, + 1-Censored[Raw[:, i] <= Median] == 1) + plt.ylim(0, 1) + if LogRank is not None: + plt.title('Logrank p=' + str(LogRank.p_value)) + lg = plt.gca().get_legend() + plt.setp(lg.get_texts(), fontsize=SURV_FONT) + + else: + raise ValueError('Unrecognized feature type ' + '"' + + Types[i] + '"') + + return Figures + + +def _SplitSymbols(Symbols): + """ + Removes trailing and leading whitespace, separates feature types from + feature names, enumerates duplicate symbol names + """ + + # modify duplicate symbols where needed - append index to each instance + Prefix = [Symbol[0:str.rfind(str(Symbol), '_')] for Symbol in Symbols] + Types = [Symbol[str.rfind(str(Symbol), '_')+1:].strip() + for Symbol in Symbols] + + # copy prefixes + Corrected = Prefix[:] + + # append index to each duplicate instance + for i in np.arange(len(Prefix)): + if Prefix.count(Prefix[i]) > 1: + Corrected[i] = Prefix[i] + '.' + \ + str(Prefix[0:i+1].count(Prefix[i])) + else: + Corrected[i] = Prefix[i] + + return Corrected, Types + + +def _WrapSymbols(Symbols, Length=20): + """ + Wraps long labels + """ + + # remove whitespace and wrap + Corrected = ['\n'.join(wrap(Symbol.strip().replace('_', ' '), Length)) + for Symbol in Symbols] + + return Corrected diff --git a/survivalnet/analysis/WriteGCT.py b/survivalnet/analysis/WriteGCT.py new file mode 100644 index 0000000..0ecfd08 --- /dev/null +++ b/survivalnet/analysis/WriteGCT.py @@ -0,0 +1,62 @@ +def WriteGCT(Genes, Samples, Scores, File): + """ + Writes a gene expression (GCT) file format defining the scores of features + for individual samples. + + Parameters + ---------- + Genes : array_like + An N-length list of gene symbols associated with the rows of 'Scores'. + + Samples : array_like + A K-length list of sample identifiers associated with the columns of + 'Scores'. If None samples will be enumerated. + + Scores : array_like + An NxK-length numpy array containing the signed values associated with + 'Genes' and Samples. + + File : string + Filename and path to write the output .gct file to. + + Notes + ----- + This is typically used to form the input for a SSGSEA analysis. See + http://www.broadinstitute.org/cancer/software/gsea/wiki/index.php for more + details on file formats. + + See Also + -------- + FeatureAnalysis + """ + + # open rnk file + try: + Gct = open(File, 'w') + except IOError: + print "Cannot create file ", File + + # write leading rows + Gct.write('#1.2\n') + Gct.write(str(Scores.shape[1]) + '\t' + str(Scores.shape[0]) + '\n') + Gct.write("NAME\tDescription\t") + if Samples is None: + for i in range(Scores.shape[0]-1): + Gct.write("Sample." + str(i+1) + '\t') + Gct.write("Sample." + str(Scores.shape[0]) + '\n') + else: + for i, Sample in enumerate(Samples): + if i < len(Samples)-1: + Gct.write(Sample + '\t') + else: + Gct.write(Sample + '\n') + + # write contents to file + for i, Symbol in enumerate(Genes): + Gct.write(Symbol + '\t\t') + for j in range(Scores.shape[0]-1): + Gct.write(str(Scores[j, i]) + '\t') + Gct.write(str(Scores[-1, i]) + '\n') + + # close file + Gct.close() diff --git a/survivalnet/analysis/WriteRNK.py b/survivalnet/analysis/WriteRNK.py new file mode 100644 index 0000000..0e1f727 --- /dev/null +++ b/survivalnet/analysis/WriteRNK.py @@ -0,0 +1,46 @@ +import numpy as np + + +def WriteRNK(Genes, Scores, File): + """ + Writes a ranked-list (RNK) file format defining the ranks of features. + Features are sorted based on the signed values provided in 'Scores'. + + Parameters + ---------- + Genes : array_like + An N-length list of gene symbols associated with 'Scores'. + + Scores : array_like + An N-length numpy array containing the signed values associated with + 'Genes'. + + File : string + Filename and path to write the output .rnk file to. + + Notes + ----- + This is typically used to form the input for a GSEAPreranked analysis. See + http://www.broadinstitute.org/cancer/software/gsea/wiki/index.php for more + details on file formats. + + See Also + -------- + FeatureAnalysis + """ + + # sort inputs by signed score + Order = np.argsort(Scores) + + # open rnk file + try: + Rnk = open(File, 'w') + except IOError: + print "Cannot create file ", File + + # write contents to file + for i in Order: + Rnk.write(Genes[i] + '\t' + str(Scores[i]) + '\n') + + # close file + Rnk.close() diff --git a/survivalnet/analysis/__init__.py b/survivalnet/analysis/__init__.py new file mode 100644 index 0000000..ee52753 --- /dev/null +++ b/survivalnet/analysis/__init__.py @@ -0,0 +1,29 @@ +from .RiskCohort import RiskCohort + +# must be imported after RiskCohort +from .FeatureAnalysis import FeatureAnalysis +from .PathwayAnalysis import PathwayAnalysis +from .Visualization import KMPlots +from .Visualization import PairScatter +from .Visualization import RankedBar +from .Visualization import RankedBox +from .WriteGCT import WriteGCT +from .WriteRNK import WriteRNK +from .ReadGMT import ReadGMT +from .RiskCluster import RiskCluster + + +# list functions and classes available for public use +__all__ = ( + 'FeatureAnalysis', + 'KMPlots', + 'PairScatter', + 'PathwayAnalysis', + 'RankedBar', + 'RankedBox', + 'ReadGMT', + 'RiskCluster', + 'RiskCohort', + 'WriteGCT', + 'WriteRNK', +) diff --git a/survivalnet/model/DropoutHiddenLayer.py b/survivalnet/model/DropoutHiddenLayer.py index 4d446bd..aac4170 100644 --- a/survivalnet/model/DropoutHiddenLayer.py +++ b/survivalnet/model/DropoutHiddenLayer.py @@ -13,14 +13,13 @@ def __init__(self, rng, input, n_in, n_out, is_train, rng=rng, input=input, n_in=n_in, n_out=n_out, W=W, b=b, activation=activation) - # Set variables self.dropout_rate = dropout_rate self.srng = T.shared_randomstreams.RandomStreams(rng.randint(999999)) self.mask = mask self.layer = self.output - # Compute outputs for train and test phase applying dropout when necessary + # Computes outputs for train and test phase applying dropout when needed. train_output = self.layer * T.cast(self.mask, theano.config.floatX) test_output = self.output * (1 - dropout_rate) self.output = ifelse(T.eq(is_train, 1), train_output, test_output) - return \ No newline at end of file + return diff --git a/survivalnet/model/Model.py b/survivalnet/model/Model.py index f3e237e..1a275f4 100644 --- a/survivalnet/model/Model.py +++ b/survivalnet/model/Model.py @@ -1,6 +1,4 @@ - import numpy - import theano import theano.tensor as T from theano.tensor.shared_randomstreams import RandomStreams @@ -10,212 +8,214 @@ from .DropoutHiddenLayer import DropoutHiddenLayer from .SparseDenoisingAutoencoder import SparseDenoisingAutoencoder as dA from survivalnet.optimization import Optimization as Opt -from theano.compile.nanguardmode import NanGuardMode class Model(object): - """ This class is made to pretrain and fine tune a variable number of layers.""" - def __init__( - self, - numpy_rng, - theano_rng=None, - n_ins=183, - hidden_layers_sizes=[250, 250], - n_outs=1, - corruption_levels=[0.1, 0.1], - dropout_rate=0.1, - lambda1 = 0, - lambda2 = 0, - non_lin=None - ): - """ - :type numpy_rng: numpy.random.RandomState - :param numpy_rng: numpy random number generator used to draw initial - weights - :type theano_rng: theano.tensor.shared_randomstreams.RandomStreams - :param theano_rng: Theano random generator; if None is given one is - generated based on a seed drawn from `rng` - :type n_ins: int - :param n_ins: dimension of the input to the Model - - :type hidden_layers_sizes: list of ints - :param hidden_layers_sizes: sizes of intermediate layers. - - :type n_outs: int - :param n_outs: dimension of the output of the network. Always 1 for a - regression problem. - - :type corruption_levels: list of float - :param corruption_levels: amount of corruption to use for each layer - - :type dropout_rate: float - :param dropout_rate: probability of dropping a hidden unit - - :type non_lin: function - :param non_lin: nonlinear activation function used in all layers - - """ - # Initialize parameters - self.hidden_layers = []; self.dA_layers = []; self.params = []; self.dropout_masks = [] - self.n_layers = len(hidden_layers_sizes); self.L1 = 0; self.L2_sqr = 0; self.n_hidden = hidden_layers_sizes[0] - if not theano_rng: - theano_rng = RandomStreams(numpy_rng.randint(2 ** 30)) - - # Allocate symbolic variables for the data - self.x = T.matrix('x') # Expression data - self.o = T.ivector('o') # Observed death or not, 1 is death, 0 is right censored - self.AtRisk = T.ivector('AtRisk') - self.is_train = T.iscalar('is_train') # Indicator of training/testing used in dropout - self.masks = [T.lmatrix('mask_' + str(i)) for i in range(self.n_layers)] - - # Simple cox regression with no hidden layers - if self.n_layers == 0: - self.riskLayer = RiskLayer(input=self.x, n_in=n_ins, n_out=n_outs, rng = numpy_rng) - else: - # Construct the intermediate layer - # the size of the input is either the number of hidden units of - # the layer below or the input size if we are on the first layer - for i in xrange(self.n_layers): - if i == 0: - input_size = n_ins - layer_input = self.x - else: - input_size = hidden_layers_sizes[i - 1] - layer_input = self.hidden_layers[-1].output - - # The input to this layer is either the activation of the hidden - # layer below or the input of the Model if you are on the first layer - hidden_layer = DropoutHiddenLayer(rng=numpy_rng, - input=layer_input, - n_in=input_size, - n_out=hidden_layers_sizes[i], - activation=non_lin, - dropout_rate=dropout_rate, - is_train=self.is_train, - mask = self.masks[i]) \ - if dropout_rate > 0 else HiddenLayer(rng=numpy_rng, - input=layer_input, - n_in=input_size, - n_out=hidden_layers_sizes[i], - activation=non_lin) - - # Add the layer to our stack of layers - self.hidden_layers.append(hidden_layer) - self.params.extend(hidden_layer.params) - - # Construct a denoising autoencoder that shares weights with this layer - dA_layer = dA(numpy_rng=numpy_rng, - theano_rng=theano_rng, - input=layer_input, - n_visible=input_size, - n_hidden=hidden_layers_sizes[i], - W=hidden_layer.W, - bhid=hidden_layer.b, - non_lin=non_lin) - self.dA_layers.append(dA_layer) - - self.L1 += abs(hidden_layer.W).sum() - self.L2_sqr += (hidden_layer.W ** 2).sum() - - # We now need to add a risk prediction layer on top of the stack - self.riskLayer = RiskLayer( - input=self.hidden_layers[-1].output, - n_in=hidden_layers_sizes[-1], - n_out=n_outs, - rng = numpy_rng) - - self.L1 += abs(self.riskLayer.W).sum() - self.L2_sqr += (self.riskLayer.W ** 2).sum() - self.L1 *= lambda1 - self.L2_sqr *= lambda2 - self.params.extend(self.riskLayer.params) - #cost = self.riskLayer.cost + self.L1 + self.L2_sqr - - def pretraining_functions(self, pretrain_x, batch_size): - index = T.lscalar('index') # index to a minibatch - corruption_level = T.scalar('corruption') # % of corruption - learning_rate = T.scalar('lr') # learning rate - - - if batch_size: - # begining of a batch, given `index` - batch_begin = index * batch_size - # ending of a batch given `index` - batch_end = batch_begin + batch_size - pretrain_x = pretrain_x[batch_begin: batch_end] - - pretrain_fns = [] - is_train = numpy.cast['int32'](0) # value does not matter - for dA_layer in self.dA_layers: - # get the cost and the updates list - cost, updates = dA_layer.get_cost_updates(corruption_level, - learning_rate) - # compile the theano function - fn = theano.function( - on_unused_input='ignore', - inputs=[ - index, - theano.Param(corruption_level, default=0.2), - theano.Param(learning_rate, default=0.1) - ], - outputs=cost, - updates=updates, - givens={ - self.x: pretrain_x, - self.is_train: is_train - } - ) - # append `fn` to the list of functions - pretrain_fns.append(fn) - - return pretrain_fns - - def build_finetune_functions(self, learning_rate): - - is_train = T.iscalar('is_train') - X = T.matrix('X') - AtRisk = T.ivector('AtRisk') - Observed = T.ivector('Observed') - #call the optimization function - opt = Opt() - - test = theano.function( - on_unused_input='ignore', - inputs=[X, Observed, AtRisk, is_train] + self.masks, - outputs=[self.riskLayer.cost(self.o, self.AtRisk), self.riskLayer.output, self.riskLayer.input], - givens={ - self.x: X, - self.o: Observed, - self.AtRisk: AtRisk, - self.is_train:is_train - }, - name='test' - ) - train = theano.function( - on_unused_input='ignore', - inputs=[X, Observed, AtRisk, is_train] + self.masks, - outputs=[self.riskLayer.cost(self.o, self.AtRisk), self.riskLayer.output, self.riskLayer.input], - updates=opt.SGD(self.riskLayer.cost(self.o, self.AtRisk) - self.L1 - self.L2_sqr, self.params, learning_rate), - givens={ - self.x: X, - self.o: Observed, - self.AtRisk: AtRisk, - self.is_train:is_train - }, - name='train' - ) - return test, train - - def reset_weight(self, params): - for i in xrange(self.n_layers): - self.hidden_layers[i].reset_weight((params[2*i], params[2*i+1])) - self.riskLayer.reset_weight(params[-1]) - - def reset_weight_by_rate(self, rate): - for i in xrange(self.n_layers): - self.hidden_layers[i].reset_weight_by_rate(rate) - - def update_layers(self): - for l in self.hidden_layers: - l.update_layer() + """ This class is made to pretrain and fine tune a variable number of layers.""" + def __init__( + self, + numpy_rng, + theano_rng=None, + n_ins=183, + hidden_layers_sizes=[250, 250], + n_outs=1, + corruption_levels=[0.1, 0.1], + dropout_rate=0.1, + lambda1 = 0, + lambda2 = 0, + non_lin=None + ): + """ + :type numpy_rng: numpy.random.RandomState + :param numpy_rng: numpy random number generator used to draw initial + weights + :type theano_rng: theano.tensor.shared_randomstreams.RandomStreams + :param theano_rng: Theano random generator; if None is given one is + generated based on a seed drawn from `rng` + :type n_ins: int + :param n_ins: dimension of the input to the Model + + :type hidden_layers_sizes: list of ints + :param hidden_layers_sizes: sizes of intermediate layers. + + :type n_outs: int + :param n_outs: dimension of the output of the network. Always 1 for a + regression problem. + + :type corruption_levels: list of float + :param corruption_levels: amount of corruption to use for each layer + + :type dropout_rate: float + :param dropout_rate: probability of dropping a hidden unit + + :type non_lin: function + :param non_lin: nonlinear activation function used in all layers + + """ + # Initializes parameters. + self.hidden_layers = []; + self.dA_layers = []; + self.params = []; + self.dropout_masks = [] + self.n_layers = len(hidden_layers_sizes); + self.L1 = 0; + self.L2_sqr = 0; + self.n_hidden = hidden_layers_sizes[0] + if not theano_rng: + theano_rng = RandomStreams(numpy_rng.randint(2 ** 30)) + + # Allocates symbolic variables for the data. + self.x = T.matrix('x', dtype='float32') + self.o = T.ivector('o') + self.at_risk = T.ivector('at_risk') + self.is_train = T.iscalar('is_train') + self.masks = [T.lmatrix('mask_' + str(i)) for i in range(self.n_layers)] + + # Linear cox regression with no hidden layers. + if self.n_layers == 0: + self.risk_layer = RiskLayer(input=self.x, n_in=n_ins, n_out=n_outs, rng = numpy_rng) + else: + # Constructs the intermediate layers. + for i in xrange(self.n_layers): + if i == 0: + input_size = n_ins + layer_input = self.x + else: + input_size = hidden_layers_sizes[i - 1] + layer_input = self.hidden_layers[-1].output + + if dropout_rate > 0: + hidden_layer = DropoutHiddenLayer(rng=numpy_rng, + input=layer_input, + n_in=input_size, + n_out=hidden_layers_sizes[i], + activation=non_lin, + dropout_rate=dropout_rate, + is_train=self.is_train, + mask = self.masks[i]) + else: + hidden_layer = HiddenLayer(rng=numpy_rng, + input=layer_input, + n_in=input_size, + n_out=hidden_layers_sizes[i], + activation=non_lin) + + # Adds the layer to the stack of layers. + self.hidden_layers.append(hidden_layer) + self.params.extend(hidden_layer.params) + + # Constructs an autoencoder that shares weights with this layer. + dA_layer = dA(numpy_rng=numpy_rng, + theano_rng=theano_rng, + input=layer_input, + n_visible=input_size, + n_hidden=hidden_layers_sizes[i], + W=hidden_layer.W, + bhid=hidden_layer.b, + non_lin=non_lin) + self.dA_layers.append(dA_layer) + + self.L1 += abs(hidden_layer.W).sum() + self.L2_sqr += (hidden_layer.W ** 2).sum() + + # Adds a risk prediction layer on top of the stack. + self.risk_layer = RiskLayer(input=self.hidden_layers[-1].output, + n_in=hidden_layers_sizes[-1], + n_out=n_outs, + rng = numpy_rng) + + self.L1 += abs(self.risk_layer.W).sum() + self.L2_sqr += (self.risk_layer.W ** 2).sum() + self.params.extend(self.risk_layer.params) + self.regularizers = lambda1 * self.L1 + lambda2 * self.L2_sqr + + def pretraining_functions(self, pretrain_x, batch_size): + index = T.lscalar('index') # index to a minibatch + corruption_level = T.scalar('corruption') # % of corruption + learning_rate = T.scalar('lr') # learning rate + + + if batch_size: + # begining of a batch, given `index` + batch_begin = index * batch_size + # ending of a batch given `index` + batch_end = batch_begin + batch_size + pretrain_x = pretrain_x[batch_begin: batch_end] + + pretrain_fns = [] + is_train = numpy.cast['int32'](0) # value does not matter + for dA_layer in self.dA_layers: + # get the cost and the updates list + cost, updates = dA_layer.get_cost_updates(corruption_level, + learning_rate) + # compile the theano function + fn = theano.function( + on_unused_input='ignore', + inputs=[ + index, + theano.Param(corruption_level, default=0.2), + theano.Param(learning_rate, default=0.1) + ], + outputs=cost, + updates=updates, + givens={ + self.x: pretrain_x, + self.is_train: is_train + } + ) + pretrain_fns.append(fn) + + return pretrain_fns + + def build_finetune_functions(self, learning_rate): + + is_train = T.iscalar('is_train') + X = T.matrix('X', dtype='float32') + at_risk = T.ivector('at_risk') + observed = T.ivector('observed') + opt = Opt() + + test = theano.function( + on_unused_input='ignore', + inputs=[X, observed, at_risk, is_train] + self.masks, + outputs=[self.risk_layer.cost(self.o, self.at_risk), + self.risk_layer.output, self.risk_layer.input], + givens={ + self.x: X, + self.o: observed, + self.at_risk: at_risk, + self.is_train:is_train + }, + name='test' + ) + train = theano.function( + on_unused_input='ignore', + inputs=[X, observed, at_risk, is_train] + self.masks, + outputs=[self.risk_layer.cost(self.o, self.at_risk), + self.risk_layer.output, self.risk_layer.input], + updates=opt.SGD( + self.risk_layer.cost(self.o, self.at_risk)-self.regularizers, + self.params, learning_rate), + givens={ + self.x: X, + self.o: observed, + self.at_risk: at_risk, + self.is_train:is_train + }, + name='train' + ) + return test, train + + def reset_weight(self, params): + for i in xrange(self.n_layers): + self.hidden_layers[i].reset_weight((params[2*i], params[2*i+1])) + self.risk_layer.reset_weight(params[-1]) + + def reset_weight_by_rate(self, rate): + for i in xrange(self.n_layers): + self.hidden_layers[i].reset_weight_by_rate(rate) + + def update_layers(self): + for l in self.hidden_layers: + l.update_layer() diff --git a/survivalnet/model/RiskLayer.py b/survivalnet/model/RiskLayer.py index 9e0ad42..b800de2 100644 --- a/survivalnet/model/RiskLayer.py +++ b/survivalnet/model/RiskLayer.py @@ -1,41 +1,51 @@ -__author__ = 'Song' import numpy import theano import theano.tensor as T import theano.tensor.extra_ops as Te class RiskLayer(object): - def __init__(self, input, n_in, n_out, rng): - # rng = numpy.random.RandomState(111111) - # initialize randomly the weights W as a matrix of shape (n_in, n_out) - self.W = theano.shared( - value = numpy.asarray( - rng.uniform( - low=-numpy.sqrt(6. / (n_in + n_out)), - high=numpy.sqrt(6. / (n_in + n_out)), - size=(n_in, n_out) - ), - # rng.normal(size=(n_in, n_out)), - dtype=theano.config.floatX - ), - name='W', - borrow=True - ) + def __init__(self, input, n_in, n_out, rng): + # Initializes randomly the weights W as a matrix of shape (n_in, n_out). + self.W = theano.shared( + value = numpy.asarray( + rng.uniform( + low=-numpy.sqrt(6. / (n_in + n_out)), + high=numpy.sqrt(6. / (n_in + n_out)), + size=(n_in, n_out) + ), + dtype=theano.config.floatX + ), + name='W', + borrow=True + ) - self.input = input - self.output = T.dot(self.input, self.W ).flatten() - self.params = [self.W ] + self.input = input + self.output = T.dot(self.input, self.W ).flatten() + self.params = [self.W ] - def cost(self, observed, at_risk): - prediction = self.output - factorizedPred = prediction - prediction.max() #subtract maximum to facilitate computation - exp = T.exp(factorizedPred)[::-1] - partial_sum = Te.cumsum(exp)[::-1] + 1 # get the reversed partial cumulative sum - log_at_risk = T.log(partial_sum[at_risk]) + prediction.max() #add maximum back - diff = prediction - log_at_risk - cost = T.sum(T.dot(observed, diff)) - return cost + def cost(self, observed, at_risk): + """Calculates the cox negative log likelihood. - def reset_weight(self, params): - self.W.set_value(params) + Args: + observed: 1D array. Event status; 0 means censored. + at_risk: 1D array. Element i of this array indicates the index of the + first patient in the at risk group of patient i, when patients + are sorted by increasing time to event. + Returns: + Objective function to be maximized. + """ + prediction = self.output + # Subtracts maximum to facilitate computation. + factorizedPred = prediction - prediction.max() + exp = T.exp(factorizedPred)[::-1] + # Calculates the reversed partial cumulative sum. + partial_sum = Te.cumsum(exp)[::-1] + 1 + # Adds the subtracted maximum back. + log_at_risk = T.log(partial_sum[at_risk]) + prediction.max() + diff = prediction - log_at_risk + cost = T.sum(T.dot(observed, diff)) + return cost + + def reset_weight(self, params): + self.W.set_value(params) diff --git a/survivalnet/optimization/BFGS.py b/survivalnet/optimization/BFGS.py index f174b7c..4c3b97e 100644 --- a/survivalnet/optimization/BFGS.py +++ b/survivalnet/optimization/BFGS.py @@ -1,190 +1,112 @@ -# -*- coding: utf-8 -*- -""" -Created on Thu Mar 17 01:26:50 2016 - -@author: Safoora -""" -#import warnings import theano import time import warnings import numpy import theano.tensor as T import scipy -from .LineSearch import line_search_wolfe1, line_search_wolfe2, LineSearchWarning, _LineSearchError - -def _line_search_wolfe12(f, fprime, xk, pk, gfk, old_fval, old_old_fval, - **kwargs): - """ - Same as line_search_wolfe1, but fall back to line_search_wolfe2 if - suitable step length is not found, and raise an exception if a - suitable step length is not found. - Raises - ------ - _LineSearchError - If no suitable step size is found - """ - ret = line_search_wolfe1(f, fprime, xk, pk, gfk, - old_fval, old_old_fval, - **kwargs) - - if ret[0] is None: - print 'line search failed: try different one.' - with warnings.catch_warnings(): - warnings.simplefilter('ignore', LineSearchWarning) - ret = line_search_wolfe2(f, fprime, xk, pk, gfk, - old_fval, old_old_fval) - - if ret[0] is None: - raise _LineSearchError() - - return ret - +from scipy.optimize.optimize import _line_search_wolfe12, _LineSearchError + + class BFGS(object): - def __init__(self, model, x, o, atrisk): - self.cost = model.riskLayer.cost - self.params = model.params - is_tr = T.iscalar('is_train') - - #print "original params class: ", len(params), params[0].get_value().shape, params[1].get_value().shape, params[2].get_value().shape - #change shape of params to array - - self.theta_shape = sum([self.params[i].get_value().size for i in range(len(self.params))]) - #theta_shape += model.riskLayer.W.get_value().size - - self.old_old_fval = None - N = self.theta_shape - self.H_t = numpy.eye(N, dtype=numpy.float32) - - - print self.theta_shape - - self.theta = theano.shared(value=numpy.zeros(self.theta_shape, dtype=theano.config.floatX)) - self.theta.set_value(numpy.concatenate([e.get_value().ravel() for e in - self.params]), borrow = "true") - - self.gradient = theano.function(on_unused_input='ignore', - inputs=[is_tr], - outputs = T.grad(self.cost(o, atrisk), self.params), - givens = {model.x:x, model.o:o, model.AtRisk:atrisk, model.is_train:is_tr}, - name='gradient') - self.cost_func = theano.function(on_unused_input='ignore', - inputs=[is_tr], - outputs = self.cost(o, atrisk), - givens = {model.x:x, model.o:o, model.AtRisk:atrisk, model.is_train:is_tr}, - name='cost_func') - - #@profile - def f(self, theta_val): - #model.reset_weight(params) - #print "theta = ", theta_val - self.theta.set_value(theta_val) - idx = 0 - for i in range(len(self.params)): - p = self.theta.get_value()[idx:idx + self.params[i].get_value().size] - p = p.reshape(self.params[i].get_value().shape) - idx += self.params[i].get_value().size - self.params[i].set_value(p) - #print "params diff:", sum(sum(abs(params[0].get_value() - tmp))) - - c = -self.cost_func(1) - #print "cost =", c - return c - - - #@profile - def fprime(self, theta_val): - #model.reset_weight(params) - self.theta.set_value(theta_val) - idx = 0 - for i in range(len(self.params)): - p = self.theta.get_value()[idx:idx + self.params[i].get_value().size] - p = p.reshape(self.params[i].get_value().shape) - idx += self.params[i].get_value().size - self.params[i].set_value(p) - - gs = self.gradient(1) - gf = numpy.concatenate([g.ravel() for g in gs]) - #print "gcost = ", -gf - return -gf - #@profile - def bfgs_min(self, f, x0, fprime): - #print "Next iteration of bfgs" - self.theta_t = x0 - self.old_fval = f(self.theta_t) - self.gf_t = fprime(x0) - - self.rho_t = -numpy.dot(self.H_t, self.gf_t) - try: - self.eps_t, fc, gc, self.old_fval, self.old_old_fval, gf_next = \ - _line_search_wolfe12(f, fprime, self.theta_t, self.rho_t, self.gf_t, - self.old_fval, self.old_old_fval, amin=1e-100, amax=1e100) - except _LineSearchError: - print 'Line search failed to find a better solution.\n' - theta_next = self.theta_t + self.gf_t * .0001 - return theta_next - print "Line Search Success! eps = ", self.eps_t - theta_next = self.theta_t + self.eps_t * self.rho_t - #return self.theta_t + self.eps_t * self.rho_t - - delta_t = theta_next - self.theta_t - self.theta_t = theta_next - - self.phi_t = gf_next - self.gf_t - - self.gf_t = gf_next - print self.H_t.shape - denom = 1.0 / (numpy.dot(self.phi_t, delta_t)) - # SLOW calculation as in Wright, and Nocedal 'Numerical Optimization', 1999, pg. 198. - """ - I = numpy.eye(len(x0), dtype=int) - A = I - self.phi_t[:, numpy.newaxis] * delta_t[numpy.newaxis, :] * denom - #print "***estimating H***" - self.H_t[...] = numpy.dot(self.H_t, A) - A[...] = I - delta_t[:, numpy.newaxis] * self.phi_t[numpy.newaxis, :] * denom - self.H_t[...] = numpy.dot(A, self.H_t) + (denom * delta_t[:, numpy.newaxis] * - delta_t[numpy.newaxis, :]) - A = None - """ - #Fast calculation after simplifiation of the above - Z = numpy.dot(self.H_t, self.phi_t) - print "Z" - self.H_t -= denom * Z[:, numpy.newaxis] * delta_t[numpy.newaxis,:] - print "next" - self.H_t -= denom * delta_t[:, numpy.newaxis] * Z[numpy.newaxis, :] - print "next" - self.H_t += denom * denom * numpy.dot(self.phi_t, Z) * delta_t[:, numpy.newaxis] * delta_t[numpy.newaxis,:] - print "end" - return theta_next - #Gradient Descent with line search - - def BFGS(self): - -# updates = [ -# (params[i], self.bfgs_min( -# f=f, -# x0=theta.get_value(), -# fprime=fprime))] - of = scipy.optimize.fmin_cg - of = scipy.optimize.fmin_l_bfgs_b - of = scipy.optimize.fmin_bfgs - of = self.bfgs_min - theta_val = of( - f=self.f, - x0=self.theta.get_value(), - fprime=self.fprime, - ) - self.theta.set_value(theta_val) - """theta_val,_,_ = of( - func=self.f, - x0=self.theta.get_value(), - fprime=self.fprime) - self.theta.set_value(theta_val)""" - idx = 0 - for i in range(len(self.params)): - p = self.theta.get_value()[idx:idx + self.params[i].get_value().size] - p = p.reshape(self.params[i].get_value().shape) - idx += self.params[i].get_value().size - self.params[i].set_value(p) - return + def __init__(self, model, x, o, atrisk): + self.cost = model.risk_layer.cost + self.params = model.params + is_tr = T.iscalar('is_train') + self.theta_shape = sum([self.params[i].get_value().size for i in range(len(self.params))]) + self.old_old_fval = None + N = self.theta_shape + self.H_t = numpy.eye(N, dtype=numpy.float32) + + self.theta = theano.shared(value=numpy.zeros(self.theta_shape, dtype=theano.config.floatX)) + self.theta.set_value(numpy.concatenate([e.get_value().ravel() for e in + self.params]), borrow = "true") + + self.gradient = theano.function(on_unused_input='ignore', + inputs=[is_tr] + model.masks, + outputs = T.grad(self.cost(o, atrisk), self.params), + givens = {model.x:x, model.o:o, model.at_risk:atrisk, model.is_train:is_tr}, + name='gradient') + self.cost_func = theano.function(on_unused_input='ignore', + inputs=[is_tr] + model.masks, + outputs = self.cost(o, atrisk), + givens = {model.x:x, model.o:o, model.at_risk:atrisk, model.is_train:is_tr}, + name='cost_func') + + def f(self, theta_val): + self.theta.set_value(theta_val) + idx = 0 + for i in range(len(self.params)): + p = self.theta.get_value()[idx:idx + self.params[i].get_value().size] + p = p.reshape(self.params[i].get_value().shape) + idx += self.params[i].get_value().size + self.params[i].set_value(p) + + c = -self.cost_func(1, *self.masks) + return c + + def fprime(self, theta_val): + self.theta.set_value(theta_val) + idx = 0 + for i in range(len(self.params)): + p = self.theta.get_value()[idx:idx + self.params[i].get_value().size] + p = p.reshape(self.params[i].get_value().shape) + idx += self.params[i].get_value().size + self.params[i].set_value(p) + + gs = self.gradient(1, *self.masks) + gf = numpy.concatenate([g.ravel() for g in gs]) + return -gf + + def bfgs_min(self, f, x0, fprime): + self.theta_t = x0 + self.old_fval = f(self.theta_t) + self.gf_t = fprime(x0) + self.rho_t = -numpy.dot(self.H_t, self.gf_t) + + try: + self.eps_t, fc, gc, self.old_fval, self.old_old_fval, gf_next = \ + _line_search_wolfe12(f, fprime, self.theta_t, self.rho_t, self.gf_t, + self.old_fval, self.old_old_fval, amin=1e-100, amax=1e100) + except _LineSearchError: + print 'Line search failed to find a better solution.\n' + theta_next = self.theta_t + self.gf_t * .0001 + return theta_next + + theta_next = self.theta_t + self.eps_t * self.rho_t + + delta_t = theta_next - self.theta_t + self.theta_t = theta_next + self.phi_t = gf_next - self.gf_t + self.gf_t = gf_next + denom = 1.0 / (numpy.dot(self.phi_t, delta_t)) + + ## Memory intensive computation based on Wright and Nocedal 'Numerical Optimization', 1999, pg. 198. + #I = numpy.eye(len(x0), dtype=int) + #A = I - self.phi_t[:, numpy.newaxis] * delta_t[numpy.newaxis, :] * denom + ## Estimating H. + #self.H_t[...] = numpy.dot(self.H_t, A) + #A[...] = I - delta_t[:, numpy.newaxis] * self.phi_t[numpy.newaxis, :] * denom + #self.H_t[...] = numpy.dot(A, self.H_t) + (denom * delta_t[:, numpy.newaxis] * + # delta_t[numpy.newaxis, :]) + #A = None + + # Fast memory friendly calculation after simplifiation of the above. + Z = numpy.dot(self.H_t, self.phi_t) + self.H_t -= denom * Z[:, numpy.newaxis] * delta_t[numpy.newaxis,:] + self.H_t -= denom * delta_t[:, numpy.newaxis] * Z[numpy.newaxis, :] + self.H_t += denom * denom * numpy.dot(self.phi_t, Z) * delta_t[:, numpy.newaxis] * delta_t[numpy.newaxis,:] + return theta_next + + def BFGS(self, masks): + self.masks = masks + of = self.bfgs_min + theta_val = of(f=self.f, x0=self.theta.get_value(), fprime=self.fprime) + self.theta.set_value(theta_val) + idx = 0 + for i in range(len(self.params)): + p = self.theta.get_value()[idx:idx + self.params[i].get_value().size] + p = p.reshape(self.params[i].get_value().shape) + idx += self.params[i].get_value().size + self.params[i].set_value(p) + return diff --git a/survivalnet/optimization/GDLS.py b/survivalnet/optimization/GDLS.py index bde8ce9..0967c07 100644 --- a/survivalnet/optimization/GDLS.py +++ b/survivalnet/optimization/GDLS.py @@ -1,87 +1,34 @@ -# -*- coding: utf-8 -*- -""" -Created on Thu Mar 17 01:26:50 2016 - -@author: Safoora -""" -#import warnings import theano -import time -import warnings import numpy import theano.tensor as T -import scipy -from .LineSearch import line_search_wolfe1, line_search_wolfe2, LineSearchWarning, _LineSearchError -from theano.compile.nanguardmode import NanGuardMode - -def _line_search_wolfe12(f, fprime, xk, pk, gfk, old_fval, old_old_fval, - **kwargs): - """ - Same as line_search_wolfe1, but fall back to line_search_wolfe2 if - suitable step length is not found, and raise an exception if a - suitable step length is not found. - Raises - ------ - _LineSearchError - If no suitable step size is found - """ - ret = line_search_wolfe1(f, fprime, xk, pk, gfk, - old_fval, old_old_fval, - **kwargs) - - if ret[0] is None: - #print 'line search failed: try different one.' - with warnings.catch_warnings(): - warnings.simplefilter('ignore', LineSearchWarning) - ret = line_search_wolfe2(f, fprime, xk, pk, gfk, - old_fval, old_old_fval) +from scipy.optimize.optimize import _line_search_wolfe12, _LineSearchError - if ret[0] is None: - raise _LineSearchError() - return ret - class GDLS(object): def __init__(self, model, x, o, atrisk): - - self.cost = model.riskLayer.cost + self.cost = model.risk_layer.cost self.params = model.params is_tr = T.iscalar('is_train') self.stop = False - #change shape of params to array - self.theta_shape = sum([self.params[i].get_value().size for i in range(len(self.params))]) - #theta_shape += model.riskLayer.W.get_value().size - self.old_old_fval = None N = self.theta_shape - #print self.theta_shape - self.theta = theano.shared(value=numpy.zeros(self.theta_shape, dtype=theano.config.floatX)) self.theta.set_value(numpy.concatenate([e.get_value().ravel() for e in self.params]), borrow = "true") - # Initialization for dropout masks - is_update = T.iscalar('is_update') - - self.gradient = theano.function(on_unused_input='ignore', inputs=[is_tr] + model.masks, outputs = T.grad(self.cost(o, atrisk) - model.L1 - model.L2_sqr, self.params), - givens = {model.x:x, model.o:o, model.AtRisk:atrisk, model.is_train:is_tr}, -# mode = NanGuardMode(nan_is_error=True, inf_is_error=True, big_is_error=True), + givens = {model.x:x, model.o:o, model.at_risk:atrisk, model.is_train:is_tr}, name='gradient') self.cost_func = theano.function(on_unused_input='ignore', - inputs=[is_tr] + model.masks, + inputs=[is_tr] + model.masks, outputs = self.cost(o, atrisk) - model.L1 - model.L2_sqr, - givens = {model.x:x, model.o:o, model.AtRisk:atrisk, model.is_train:is_tr}, -# mode = NanGuardMode(nan_is_error=True, inf_is_error=True, big_is_error=True), + givens = {model.x:x, model.o:o, model.at_risk:atrisk, model.is_train:is_tr}, name='cost_func') - #@profile def f(self, theta_val): - #model.reset_weight(params) - #print "theta = ", theta_val self.theta.set_value(theta_val) idx = 0 for i in range(len(self.params)): @@ -89,16 +36,11 @@ def f(self, theta_val): p = p.reshape(self.params[i].get_value().shape) idx += self.params[i].get_value().size self.params[i].set_value(p) - #print "params diff:", sum(sum(abs(params[0].get_value() - tmp))) c = -self.cost_func(1, *self.masks) - #print "cost =", c return c - - #@profile def fprime(self, theta_val): - #model.reset_weight(params) self.theta.set_value(theta_val) idx = 0 for i in range(len(self.params)): @@ -109,18 +51,15 @@ def fprime(self, theta_val): gs = self.gradient(1, *self.masks) gf = numpy.concatenate([g.ravel() for g in gs]) - #print "gcost = ", -gf return -gf #Gradient Descent with line search def gd_ls(self, f, x0, fprime): - #print "Next iteration of bfgs" self.theta_t = x0 self.old_fval = f(self.theta_t) self.gf_t = fprime(x0) self.rho_t = -self.gf_t try: - print "starting line search:" self.eps_t, fc, gc, self.old_fval, self.old_old_fval, gf_next = \ _line_search_wolfe12(f, fprime, self.theta_t, self.rho_t, self.gf_t, self.old_fval, self.old_old_fval, amin=1e-100, amax=1e100) @@ -129,22 +68,14 @@ def gd_ls(self, f, x0, fprime): self.stop = True theta_next = self.theta_t + self.gf_t * .00001 return theta_next - #print "Line Search Success! eps = ", self.eps_t theta_next = self.theta_t + self.eps_t * self.rho_t return theta_next def GDLS(self, masks): self.masks = masks of = self.gd_ls - theta_val = of(f=self.f, - x0=self.theta.get_value(), - fprime=self.fprime) + theta_val = of(f=self.f, x0=self.theta.get_value(), fprime=self.fprime) self.theta.set_value(theta_val) - """theta_val,_,_ = of( - func=self.f, - x0=self.theta.get_value(), - fprime=self.fprime) - self.theta.set_value(theta_val)""" idx = 0 for i in range(len(self.params)): p = self.theta.get_value()[idx:idx + self.params[i].get_value().size] diff --git a/survivalnet/optimization/GridSearch.py b/survivalnet/optimization/GridSearch.py deleted file mode 100644 index 7a517ba..0000000 --- a/survivalnet/optimization/GridSearch.py +++ /dev/null @@ -1,29 +0,0 @@ -@author: Safoora Yousefi -""" -import numpy as np -from time import clock -from BayesOpt_costfunc import bayesopt_costfunc -import theano - -def tune(nonlin): - params = {} - start = clock() - layers = [1, 3, 5, 7, 9, 10] - hsizes = [10, 50, 100, 150, 200, 300] - drates = [.0, .1, .3, .5, .7, .9] - x_set = [] - min_cost = 1 - best_query = [10, 10, 10] - for l in layers: - for h in hsizes: - for d in drates: - x_set.append([l, h, d]) - params = [l, h, d] - cur_cost = bayesopt_costfunc(params) - if cur_cost < min_cost: - min_cost = cur_cost - best_query = params - print "Query: ", params, " Cost: ", cur_cost, " BestQuery: ", best_query, "MinCost: ", min_cost - print "Running time:", clock() - start, "seconds" -if __name__=='__main__': - tune(None) diff --git a/survivalnet/optimization/LineSearch.py b/survivalnet/optimization/LineSearch.py deleted file mode 100644 index f18ae98..0000000 --- a/survivalnet/optimization/LineSearch.py +++ /dev/null @@ -1,323 +0,0 @@ -# -*- coding: utf-8 -*- -""" -Created on Fri Apr 29 06:53:56 2016 - -@author: Safoora -""" -from warnings import warn -import numpy -from scipy.optimize import minpack2 -from scipy.optimize.linesearch import _zoom -class LineSearchWarning(RuntimeWarning): - pass - -class _LineSearchError(RuntimeError): - pass -def scalar_search_wolfe1(phi, derphi, phi0=None, old_phi0=None, derphi0=None, - c1=1e-4, c2=0.9, - amax=50, amin=1e-8, xtol=1e-14): - maxstp = 1 - if phi0 is None: - phi0 = phi(0.) - if derphi0 is None: - derphi0 = derphi(0.) - - if old_phi0 is not None and derphi0 != 0: - alpha1 = min(maxstp, 1.01*2*(phi0 - old_phi0)/derphi0) - if alpha1 < 0: - alpha1 = maxstp - else: - alpha1 = maxstp - - - phi1 = phi0 - derphi1 = derphi0 - isave = numpy.zeros((2,), numpy.intc) - dsave = numpy.zeros((13,), float) - task = b'START' - - maxiter = 15 - for i in xrange(maxiter): - stp, phi1, derphi1, task = minpack2.dcsrch(alpha1, phi1, derphi1, - c1, c2, xtol, task, - amin, amax, isave, dsave) - - if task[:2] == b'FG': - alpha1 = stp - phi1 = phi(stp) - derphi1 = derphi(stp) - else: - break - else: - # maxiter reached, the line search did not converge - stp = None - - if task[:5] == b'ERROR' or task[:4] == b'WARN': - stp = None # failed - - return stp, phi1, phi0 -def line_search_wolfe1(f, fprime, xk, pk, gfk=None, - old_fval=None, old_old_fval=None, - args=(), c1=1e-4, c2=0.9, amax=50, amin=1e-8, - xtol=1e-14): - if gfk is None: - gfk = fprime(xk) - - if isinstance(fprime, tuple): - eps = fprime[1] - fprime = fprime[0] - newargs = (f, eps) + args - gradient = False - else: - newargs = args - gradient = True - - gval = [gfk] - gc = [0] - fc = [0] - - def phi(s): - fc[0] += 1 - return f(xk + s*pk, *args) - - def derphi(s): - gval[0] = fprime(xk + s*pk, *newargs) - if gradient: - gc[0] += 1 - else: - fc[0] += len(xk) + 1 - return numpy.dot(gval[0], pk) - - derphi0 = numpy.dot(gfk, pk) - - stp, fval, old_fval = scalar_search_wolfe1( - phi, derphi, old_fval, old_old_fval, derphi0, - c1=c1, c2=c2, amax=amax, amin=amin, xtol=xtol) - - return stp, fc[0], gc[0], fval, old_fval, gval[0] - - -def line_search_wolfe2(f, myfprime, xk, pk, gfk=None, old_fval=None, - old_old_fval=None, args=(), c1=1e-4, c2=0.9, amax=50): - """Find alpha that satisfies strong Wolfe conditions. - - Parameters - ---------- - f : callable f(x,*args) - Objective function. - myfprime : callable f'(x,*args) - Objective function gradient. - xk : ndarray - Starting point. - pk : ndarray - Search direction. - gfk : ndarray, optional - Gradient value for x=xk (xk being the current parameter - estimate). Will be recomputed if omitted. - old_fval : float, optional - Function value for x=xk. Will be recomputed if omitted. - old_old_fval : float, optional - Function value for the point preceding x=xk - args : tuple, optional - Additional arguments passed to objective function. - c1 : float, optional - Parameter for Armijo condition rule. - c2 : float, optional - Parameter for curvature condition rule. - amax : float, optional - Maximum step size - - Returns - ------- - alpha : float or None - Alpha for which ``x_new = x0 + alpha * pk``, - or None if the line search algorithm did not converge. - fc : int - Number of function evaluations made. - gc : int - Number of gradient evaluations made. - new_fval : float or None - New function value ``f(x_new)=f(x0+alpha*pk)``, - or None if the line search algorithm did not converge. - old_fval : float - Old function value ``f(x0)``. - new_slope : float or None - The local slope along the search direction at the - new value ````, - or None if the line search algorithm did not converge. - - - Notes - ----- - Uses the line search algorithm to enforce strong Wolfe - conditions. See Wright and Nocedal, 'Numerical Optimization', - 1999, pg. 59-60. - - For the zoom phase it uses an algorithm by [...]. - - """ - fc = [0] - gc = [0] - gval = [None] - - def phi(alpha): - fc[0] += 1 - return f(xk + alpha * pk, *args) - - if isinstance(myfprime, tuple): - def derphi(alpha): - fc[0] += len(xk) + 1 - eps = myfprime[1] - fprime = myfprime[0] - newargs = (f, eps) + args - gval[0] = fprime(xk + alpha * pk, *newargs) # store for later use - return numpy.dot(gval[0], pk) - else: - fprime = myfprime - - def derphi(alpha): - gc[0] += 1 - gval[0] = fprime(xk + alpha * pk, *args) # store for later use - return numpy.dot(gval[0], pk) - - if gfk is None: - gfk = fprime(xk, *args) - derphi0 = numpy.dot(gfk, pk) - - alpha_star, phi_star, old_fval, derphi_star = scalar_search_wolfe2( - phi, derphi, old_fval, old_old_fval, derphi0, c1, c2, amax) - - if derphi_star is None: - warn('The line search algorithm did not converge', LineSearchWarning) - else: - # derphi_star is a number (derphi) -- so use the most recently - # calculated gradient used in computing it derphi = gfk*pk - # this is the gradient at the next step no need to compute it - # again in the outer loop. - derphi_star = gval[0] - - return alpha_star, fc[0], gc[0], phi_star, old_fval, derphi_star - - -def scalar_search_wolfe2(phi, derphi=None, phi0=None, - old_phi0=None, derphi0=None, - c1=1e-4, c2=0.9, amax=50): - """Find alpha that satisfies strong Wolfe conditions. - - alpha > 0 is assumed to be a descent direction. - - Parameters - ---------- - phi : callable f(x) - Objective scalar function. - derphi : callable f'(x), optional - Objective function derivative (can be None) - phi0 : float, optional - Value of phi at s=0 - old_phi0 : float, optional - Value of phi at previous point - derphi0 : float, optional - Value of derphi at s=0 - c1 : float, optional - Parameter for Armijo condition rule. - c2 : float, optional - Parameter for curvature condition rule. - amax : float, optional - Maximum step size - - Returns - ------- - alpha_star : float or None - Best alpha, or None if the line search algorithm did not converge. - phi_star : float - phi at alpha_star - phi0 : float - phi at 0 - derphi_star : float or None - derphi at alpha_star, or None if the line search algorithm - did not converge. - - Notes - ----- - Uses the line search algorithm to enforce strong Wolfe - conditions. See Wright and Nocedal, 'Numerical Optimization', - 1999, pg. 59-60. - - For the zoom phase it uses an algorithm by [...]. - - """ - - maxstp = 1 - if phi0 is None: - phi0 = phi(0.) - - if derphi0 is None and derphi is not None: - derphi0 = derphi(0.) - - alpha0 = 0 - if old_phi0 is not None and derphi0 != 0: - alpha1 = min(maxstp, 1.01*2*(phi0 - old_phi0)/derphi0) - else: - alpha1 = maxstp - - if alpha1 < 0: - alpha1 = maxstp - - if alpha1 == 0: - # This shouldn't happen. Perhaps the increment has slipped below - # machine precision? For now, set the return variables skip the - # useless while loop, and raise warnflag=2 due to possible imprecision. - alpha_star = None - phi_star = phi0 - phi0 = old_phi0 - derphi_star = None - - phi_a1 = phi(alpha1) - #derphi_a1 = derphi(alpha1) evaluated below - - phi_a0 = phi0 - derphi_a0 = derphi0 - - i = 1 - maxiter = 10 - for i in xrange(maxiter): - - if alpha1 == 0: - break - if (phi_a1 > phi0 + c1 * alpha1 * derphi0) or \ - ((phi_a1 >= phi_a0) and (i > 1)): - alpha_star, phi_star, derphi_star = \ - _zoom(alpha0, alpha1, phi_a0, - phi_a1, derphi_a0, phi, derphi, - phi0, derphi0, c1, c2) - break - derphi_a1 = derphi(alpha1) - if (abs(derphi_a1) <= -c2*derphi0): - alpha_star = alpha1 - phi_star = phi_a1 - derphi_star = derphi_a1 - break - - if (derphi_a1 >= 0): - alpha_star, phi_star, derphi_star = \ - _zoom(alpha1, alpha0, phi_a1, - phi_a0, derphi_a1, phi, derphi, - phi0, derphi0, c1, c2) - break - - alpha2 = 2 * alpha1 # increase by factor of two on each iteration - i = i + 1 - alpha0 = alpha1 - alpha1 = alpha2 - phi_a0 = phi_a1 - phi_a1 = phi(alpha1) - derphi_a0 = derphi_a1 - - else: - # stopping test maxiter reached - alpha_star = alpha1 - phi_star = phi_a1 - derphi_star = None - warn('The line search algorithm did not converge', LineSearchWarning) - - return alpha_star, phi_star, phi0, derphi_star diff --git a/survivalnet/optimization/SurvivalAnalysis.py b/survivalnet/optimization/SurvivalAnalysis.py index ab7fbe2..268cffa 100644 --- a/survivalnet/optimization/SurvivalAnalysis.py +++ b/survivalnet/optimization/SurvivalAnalysis.py @@ -1,79 +1,74 @@ -# -*- coding: utf-8 -*- -""" -Created on Wed Mar 9 11:00:38 2016 - -@author: Ayine -""" import numpy as np + class SurvivalAnalysis(object): - """ This class contains methods used in survival analysis + """ This class contains methods used in survival analysis. """ - def c_index(self, Risk, T, C): - """ - Calculate concordance index to evaluate model prediction. - C-index calulates the fraction of all pairs of subjects whose predicted - survival times are correctly ordered among all subjects that can actually be ordered, i.e. - both of them are uncensored or the uncensored time of one is smaller than - the censored survival time of the other. + def c_index(self, risk, T, C): + """Calculate concordance index to evaluate model prediction. + + C-index calulates the fraction of all pairs of subjects whose predicted + survival times are correctly ordered among all subjects that can actually + be ordered, i.e. both of them are uncensored or the uncensored time of + one is smaller than the censored survival time of the other. Parameters ---------- - Risk: numpy.ndarray - m sized array of predicted risk (do not confuse with predicted survival time!) + risk: numpy.ndarray + m sized array of predicted risk (do not confuse with predicted survival time) T: numpy.ndarray m sized vector of time of death or last follow up C: numpy.ndarray - m sized vector of censored status (do not confuse with observed status!) + m sized vector of censored status (do not confuse with observed status) Returns ------- A value between 0 and 1 indicating concordance index. """ - #count orderable pairs - Orderable = 0.0 - Score = 0.0 + n_orderable = 0.0 + score = 0.0 for i in range(len(T)): for j in range(i+1,len(T)): if(C[i] == 0 and C[j] == 0): - Orderable = Orderable + 1 + n_orderable = n_orderable + 1 if(T[i] > T[j]): - if(Risk[j] > Risk[i]): - Score = Score + 1 + if(risk[j] > risk[i]): + score = score + 1 elif(T[j] > T[i]): - if(Risk[i] > Risk[j]): - Score = Score + 1 + if(risk[i] > risk[j]): + score = score + 1 else: - if(Risk[i] == Risk[j]): - Score = Score + 1 + if(risk[i] == risk[j]): + score = score + 1 elif(C[i] == 1 and C[j] == 0): if(T[i] >= T[j]): - Orderable = Orderable + 1 + n_orderable = n_orderable + 1 if(T[i] > T[j]): - if(Risk[j] > Risk[i]): - Score = Score + 1 + if(risk[j] > risk[i]): + score = score + 1 elif(C[j] == 1 and C[i] == 0): if(T[j] >= T[i]): - Orderable = Orderable + 1 + n_orderable = n_orderable + 1 if(T[j] > T[i]): - if(Risk[i] > Risk[j]): - Score = Score + 1 + if(risk[i] > risk[j]): + score = score + 1 #print score to screen - return Score / Orderable + return score / n_orderable + def calc_at_risk(self, X, T, O): - """ - Calculate the at risk group of all patients. For every patient i, this - function returns the index of the first patient who died after i, after - sorting the patients w.r.t. time of death. - Refer to the definition of - Cox proportional hazards log likelihood for details: https://goo.gl/k4TsEM + """Calculate the at risk group of all patients. + + For every patient i, this function returns the index of the first + patient who died after i, after sorting the patients w.r.t. time of death. + Refer to the definition of Cox proportional hazards log likelihood for + details: https://goo.gl/k4TsEM Parameters ---------- X: numpy.ndarray - m*n matrix of expression data + m*n matrix of input data T: numpy.ndarray m sized vector of time of death O: numpy.ndarray @@ -82,7 +77,7 @@ def calc_at_risk(self, X, T, O): Returns ------- X: numpy.ndarray - m*n matrix of expression data sorted w.r.t time of death + m*n matrix of input data sorted w.r.t time of death T: numpy.ndarray m sized sorted vector of time of death O: numpy.ndarray @@ -98,4 +93,5 @@ def calc_at_risk(self, X, T, O): T = np.asarray(sorted_T) O = O[order] X = X[order] + return X, T, O, at_risk diff --git a/survivalnet/optimization/__init__.py b/survivalnet/optimization/__init__.py index 698942b..ff05471 100644 --- a/survivalnet/optimization/__init__.py +++ b/survivalnet/optimization/__init__.py @@ -11,7 +11,6 @@ 'BFGS', 'isOverfitting', 'GLDS', - 'LineSearch', 'Optimization', 'SurvivalAnalysis', ) diff --git a/survivalnet/train.py b/survivalnet/train.py index 373803b..5d90ddb 100644 --- a/survivalnet/train.py +++ b/survivalnet/train.py @@ -10,154 +10,165 @@ from optimization import SurvivalAnalysis from optimization import isOverfitting - -def train(pretrain_set, train_set, test_set, val_set, - pretrain_config, finetune_config, n_layers=10, n_hidden=140, coxphfit=False, - dropout_rate=0.5, non_lin=None, optim = 'GD', lambda1=0, lambda2=0, disp = True, earlystp = True): - finetune_lr = theano.shared(numpy.asarray(finetune_config['ft_lr'], dtype=theano.config.floatX)) - learning_rate_decay = 1 - - # changed to theano shared variable in order to do minibatch - #train_set = theano.shared(value=train_set, name='train_set') - - # numpy random generator - numpy_rng = numpy.random.RandomState(1111) - #if disp: print '... building the model' - # construct the stacked denoising autoencoder and the corresponding regression network - model = Model( - numpy_rng = numpy_rng, - n_ins = train_set['X'].shape[1], - hidden_layers_sizes = [n_hidden] * n_layers, - n_outs = 1, - dropout_rate=dropout_rate, - lambda1 = lambda1, - lambda2 = lambda2, - non_lin=non_lin) - - ######################### - # PRETRAINING THE MODEL # - ######################### - if pretrain_config is not None: - n_train_batches = len(train_set) / pretrain_config['pt_batchsize'] if pretrain_config['pt_batchsize'] else 1 - - if disp: print '... getting the pretraining functions' - pretraining_fns = model.pretraining_functions(pretrain_set, - pretrain_config['pt_batchsize']) - if disp: print '... pre-training the model' - start_time = timeit.default_timer() - # de-noising level - corruption_levels = [pretrain_config['corruption_level']] * n_layers - for i in xrange(model.n_layers): #Layerwise pre-training - # go through pretraining epochs - for epoch in xrange(pretrain_config['pt_epochs']): - # go through the training set - c = [] - for batch_index in xrange(n_train_batches): - c.append(pretraining_fns[i](index=batch_index, - corruption=corruption_levels[i], - lr=pretrain_config['pt_lr'])) - - if disp: print "Pre-training layer %i, epoch %d, cost" % (i, epoch), - if disp: print numpy.mean(c) - - end_time = timeit.default_timer() - - if disp: print >> sys.stderr, ('The pretraining code for file ' + - os.path.split(__file__)[1] + - ' ran for %.2fm' % ((end_time - start_time) / 60.)) - - ######################## - # FINETUNING THE MODEL # - ######################## - - #if disp: print '... getting the finetuning functions' - test, train = model.build_finetune_functions( - learning_rate=finetune_lr - ) - - #if disp: print '... finetunning the model' - # early-stopping parameters - cindex_train = [] - cindex_test = [] - cindex_val = [] - train_cost_list = [] - test_cost_list = [] - val_cost_list = [] - #gradient_sizes = [] - #plt.figure(1) - #plt.ion() - - if optim == 'BFGS': - bfgs = BFGS(model, train_set['X'], train_set['O'], train_set['A']) - elif optim == 'GDLS': - gdls = GDLS(model, train_set['X'], train_set['O'], train_set['A']) - survivalAnalysis = SurvivalAnalysis() - - # Start training routine - for epoch in range(finetune_config['ft_epochs']): - - # Create masks for training - train_masks = [numpy_rng.binomial(n=1, p=1-dropout_rate, size=(train_set['X'].shape[0], n_hidden)) for i in range(n_layers)] - - # Create dummy masks for testing - test_masks = [numpy.ones((test_set['X'].shape[0], n_hidden), dtype='int64') for i in range(n_layers)] - - train_cost, train_risk, train_features = train(train_set['X'], train_set['O'], train_set['A'], 1, *train_masks) - if optim == 'BFGS': - bfgs.BFGS() - #gradient_sizes.append(numpy.linalg.norm(bfgs.gf_t)) - elif optim == 'GDLS': - gdls.GDLS(train_masks) - -# elif optim == 'GD': - #idx = 0 - # backward(train_set['X'], train_set['O'], train_set['A'], 1) - #gradients = [] - #for i in range(len(grads)): - # gradients[idx:idx + grads[i].size] = grads[i].ravel() - # idx += grads[i].size - # gradient_sizes.append(numpy.linalg.norm(gradients)) - train_c_index = survivalAnalysis.c_index(train_risk, train_set['T'], 1 - train_set['O']) - - test_cost, test_risk, test_features = test(test_set['X'], test_set['O'], test_set['A'], 0, *test_masks) - test_c_index = survivalAnalysis.c_index(test_risk, test_set['T'], 1 - test_set['O']) - - val_cost, val_risk, val_features = test(val_set['X'], val_set['O'], val_set['A'], 0, *test_masks) - val_c_index = survivalAnalysis.c_index(val_risk, val_set['T'], 1 - val_set['O']) - - cindex_train.append(train_c_index) - cindex_test.append(test_c_index) - cindex_val.append(val_c_index) - - train_cost_list.append(train_cost) - test_cost_list.append(test_cost) - val_cost_list.append(val_cost) -# if disp: -# x = numpy.arange(0,epoch+1) -# plt.clf() -# plt.subplot(1,2,1) - -# plt.plot(x, numpy.asarray(train_cost_list)/train_set['X'].shape[0], 'ro', x, numpy.asarray(test_cost_list)/test_set['X'].shape[0], 'g--', x, numpy.asarray(val_cost_list)/val_set['X'].shape[0], 'bs') -# plt.subplot(1,2,2) -# plt.plot(x, numpy.asarray(cindex_train), 'ro', x, numpy.asarray(cindex_test), 'g--', x, numpy.asarray(cindex_val), 'bs') -# plt.pause(0.05) - - if disp: - print 'epoch = %d, trn_cost = %f, trn_ci = %f, tst_cost = %f, tst_ci = %f' % (epoch, train_cost, train_c_index, test_cost, test_c_index) - if earlystp and epoch >= 15 and (epoch % 5 == 0): - if disp: print "Checking overfitting!" - check, maxIter = isOverfitting(numpy.asarray(cindex_test)) - if check: - print "Training Stopped Due to Overfitting! cindex = %f, MaxIter = %d" %(cindex_test[maxIter], maxIter) - break - else: maxIter = epoch - sys.stdout.flush() - decay_learning_rate = theano.function(inputs=[], outputs=finetune_lr, \ - updates={finetune_lr: finetune_lr * learning_rate_decay}) - decay_learning_rate() - epoch += 1 - if numpy.isnan(test_cost): break - if disp: - print 'best score is: %f' % max(cindex_test) - # plt.savefig('fig2.pdf') - return train_cost_list, cindex_train, test_cost_list, cindex_test, train_risk, test_risk, model, maxIter +LEARNING_RATE_DECAY = 1 + +def train(pretrain_set, train_set, test_set, pretrain_config, finetune_config, + n_layers, n_hidden, dropout_rate, non_lin, + optim='GD', lambda1=0, lambda2=0, verbose=True, earlystp=True): + + """Creates and trains a feedforward neural network. + Arguments: + pretrain_set: dict. Contains pre-training data (nxp array). If None, no + pre-training is performed. + train_set: dict. Contains training data (nxp array), labels (nx1 array), + censoring status (nx1 array) and at risk indices (nx1 array). + test_set: dict. Contains testing data (nxp array), labels (nx1 array), + censoring status (nx1 array) and at risk indices (nx1 array). + pretrain_config: dict. Contains pre-training parameters. + finetune_config: dict. Contains finetuning parameters. + n_layers: int. Number of layers in neural network. + n_hidden: int. Number of hidden units in each layer. + dropout_rate: float. Probability of dropping units. + non_lin: theano.Op or function. Type of activation function. Linear if None. + optim: str. Optimization algorithm to use. One of 'GD', 'GDLS', and 'BFGS'. + lambda1: flaot. L1 regularization rate. + lambda2: float. L2 regularization rate. + verbose: bool. Whether to log progress to stderr. + earlystp: bool. Whether to use early stopping. + + Outputs: + train_costs: 1D array. Loss value on training data at each epoch. + train_cindices: 1D array. C-index values on training data at each epoch. + test_costs: 1D array. Loss value on testing data at each epoch. + test_cindices: 1D array. C-index values on testing data at each epoch. + train_risk: 1D array. Final predicted risks for all patients in training set. + test_risk: 1D array. Final predicted risks for all patients in test set. + model: Model. Final trained model. + max_iter: int. Number of training epochs. Equal to + finetune_config['ft_epochs'] or smaller if earlystp is True. + """ + finetune_lr = theano.shared(numpy.asarray(finetune_config['ft_lr'], + dtype=theano.config.floatX)) + + numpy_rng = numpy.random.RandomState(1111) + + # Construct the stacked denoising autoencoder and the corresponding + # supervised survival network. + model = Model( + numpy_rng = numpy_rng, + n_ins = train_set['X'].shape[1], + hidden_layers_sizes = [n_hidden] * n_layers, + n_outs = 1, + dropout_rate=dropout_rate, + lambda1 = lambda1, + lambda2 = lambda2, + non_lin=non_lin) + + ######################### + # PRETRAINING THE MODEL # + ######################### + if pretrain_config is not None: + n_batches = len(train_set) / (pretrain_config['pt_batchsize'] or len(train_set)) + + pretraining_fns = model.pretraining_functions( + pretrain_set, + pretrain_config['pt_batchsize']) + start_time = timeit.default_timer() + # de-noising level + corruption_levels = [pretrain_config['corruption_level']] * n_layers + for i in xrange(model.n_layers): #Layerwise pre-training + # go through pretraining epochs + for epoch in xrange(pretrain_config['pt_epochs']): + # go through the training set + c = [] + for batch_index in xrange(n_batches): + c.append(pretraining_fns[i](index=batch_index, + corruption=corruption_levels[i], + lr=pretrain_config['pt_lr'])) + + if verbose: + print 'Pre-training layer {}, epoch {}, cost'.format(i, epoch, numpy.mean(c)) + + end_time = timeit.default_timer() + if verbose: + print('Pretraining took {} minutes.'.format((end_time - start_time) / 60.)) + + ######################## + # FINETUNING THE MODEL # + ######################## + test, train = model.build_finetune_functions(learning_rate=finetune_lr) + + train_cindices = [] + test_cindices = [] + train_costs = [] + test_costs = [] + + if optim == 'BFGS': + bfgs = BFGS(model, train_set['X'], train_set['O'], train_set['A']) + elif optim == 'GDLS': + gdls = GDLS(model, train_set['X'], train_set['O'], train_set['A']) + survivalAnalysis = SurvivalAnalysis() + + # Starts the training routine. + for epoch in range(finetune_config['ft_epochs']): + + # Creates masks for dropout during training. + train_masks = [ + numpy_rng.binomial(n=1, p=1-dropout_rate, + size=(train_set['X'].shape[0], n_hidden)) + for i in range(n_layers)] + + # Creates dummy masks for testing. + test_masks = [ + numpy.ones((test_set['X'].shape[0], n_hidden), dtype='int64') + for i in range(n_layers)] + + # BFGS() and GDLS() update the gradients, so we only serve (test) the + # model to calculate cost, risk, and cindex on training set. + if optim == 'BFGS': + bfgs.BFGS(train_masks) + train_cost, train_risk, train_features = test( + train_set['X'], train_set['O'], train_set['A'], 1, *train_masks) + elif optim == 'GDLS': + gdls.GDLS(train_masks) + train_cost, train_risk, train_features = test( + train_set['X'], train_set['O'], train_set['A'], 1, *train_masks) + # In case of GD, uses the train function to update the gradients and get + # training cost, risk, and cindex at the same time. + elif optim == 'GD': + train_cost, train_risk, train_features = train( + train_set['X'], train_set['O'], train_set['A'], 1, *train_masks) + train_ci = survivalAnalysis.c_index(train_risk, train_set['T'], 1 - train_set['O']) + + # Calculates testing cost, risk and cindex using th eupdated model. + test_cost, test_risk, _ = test(test_set['X'], test_set['O'], test_set['A'], 0, *test_masks) + test_ci = survivalAnalysis.c_index(test_risk, test_set['T'], 1 - test_set['O']) + + train_cindices.append(train_ci) + test_cindices.append(test_ci) + + train_costs.append(train_cost) + test_costs.append(test_cost) + if verbose: + print (('epoch = {}, trn_cost = {}, trn_ci = {}, tst_cost = {},' + ' tst_ci = {}').format(epoch, train_cost, train_ci, + test_cost, test_ci)) + if earlystp and epoch >= 15 and (epoch % 5 == 0): + if verbose: + print 'Checking overfitting!' + check, max_iter = isOverfitting(numpy.asarray(test_cindices)) + if check: + print(('Training Stopped Due to Overfitting! cindex = {},' + ' MaxIter = {}').format(test_cindices[max_iter], max_iter)) + break + else: max_iter = epoch + sys.stdout.flush() + decay_learning_rate = theano.function( + inputs=[], outputs=finetune_lr, + updates={finetune_lr: finetune_lr * LEARNING_RATE_DECAY}) + decay_learning_rate() + epoch += 1 + if numpy.isnan(test_cost): break + if verbose: + print 'C-index score after {} epochs is: {}'.format(max_iter, max(test_cindices)) + return train_costs, train_cindices, test_costs, test_cindices, train_risk, test_risk, model, max_iter