diff --git a/MiScan/core.py b/MiScan/core.py index eab28d8..cf0186a 100644 --- a/MiScan/core.py +++ b/MiScan/core.py @@ -1,22 +1,22 @@ # -*- coding: utf-8 -*- import operator -import re -import shutil import warnings from collections import Counter -from os import makedirs, system, popen, environ -from os.path import exists, join +from os import environ, makedirs +from os import system, popen +from os.path import join, exists +import re import keras.backend as K import matplotlib as mpl import numpy as np import pandas as pd from scipy.io import mmread +import shutil -from .utils import get_data, exists_or_mkdir -from .model import build_model from .logging import get_logger - +from .model import build_dense_model as build_model +from .utils import get_data, exists_or_mkdir mpl.use('Agg') import matplotlib.pyplot as plt @@ -34,8 +34,6 @@ def vcf_to_sparse(outDir, inFeaID, inFeaBed, inVcf, featureID): """ convert the vcf to a feature matrix, `matrix.mtx` - - :param outDir: output directory :param inFeaID: `13885fea_exon_cut_100bp_2sample.txt` in dependency_data :param inFeaBed: `tcga_13885fea_exon_cut_100bp.bed` in dependency_data @@ -50,12 +48,10 @@ def vcf_to_sparse(outDir, inFeaID, inFeaBed, inVcf, featureID): vcf_list = [] with open(inVcf) as f: for line in f: - # TODO need to optimize the regex if re.match('#', line): pass else: data = line.strip().split('\t') - # TODO need to optimize the regex chrom = data[0] if re.match('chr', data[0]) else 'chr' + data[0] start = int(data[1]) end = start + 1 @@ -63,8 +59,7 @@ def vcf_to_sparse(outDir, inFeaID, inFeaBed, inVcf, featureID): alt = data[3] + ',' + data[4] vcf_list.append([chrom, start, end, 1, qual, alt]) vcf_df = pd.DataFrame(vcf_list, columns=['chrom', 'start', 'end', 'sample_name', 'qual', 'alt']) - vcf_df.sort_values(by=['chrom', 'start'], ascending=True, inplace=True) # 'snp_sampleID.bed' - # TODO check this + vcf_df.sort_values(by=['chrom', 'start'], ascending=True, inplace=True) outSnpBedFile = join(outDir, 'snp_sampleID.bed') vcf_df.to_csv(outSnpBedFile, sep='\t', header=None, index=None) # -------------------------------------------------- @@ -123,7 +118,8 @@ def generate_report(inDir, outDir, y_pred_pat): """ generate report for single sample, including Cancer Risk Prediction | Top Gene Mutation Sites - :param inDir: for historical reason, actually, it's the path of `MISCAN.norm.trainPred.txt` and 'MISCAN.pat.trainPred.txt' in dependency_data + :param inDir: for historical reason, actually, it's the path of `MISCAN.norm.trainPred.txt` and + 'MISCAN.pat.trainPred.txt' in dependency_data :param outDir: output directory :param y_pred_pat: risk_to_be_patient from func `prediction` :return: @@ -147,14 +143,13 @@ def generate_report(inDir, outDir, y_pred_pat): axes[2].set_position(Bbox([[0.09, 0.57], [0.95, 0.83]])) - trainPat_file = inDir[0] - trainNorm_file = inDir[1] - trainPat_ay = np.loadtxt(trainPat_file) - trainNorm_ay = np.loadtxt(trainNorm_file) - - g = sns.kdeplot(list(trainPat_ay), label='trainPat', ax=axes[2], + train_pat = pd.read_csv(inDir[0], header=None).values + train_norm = pd.read_csv(inDir[1], header=None).values + train_pat = np.squeeze(train_pat, axis=1) + train_norm = np.squeeze(train_norm, axis=1) + g = sns.kdeplot(train_pat, label='trainPat', ax=axes[2], shade=True, color='#ffb7ce') - g = sns.kdeplot(list(trainNorm_ay), label='trainNorm', ax=axes[2], + g = sns.kdeplot(train_norm, label='trainNorm', ax=axes[2], shade=True, color='#95d0fc') axes[2].set_xlabel('Cancer risk', size=15) axes[2].set_ylabel('Density', size=15) diff --git a/MiScan/dependency_data/MISCAN.norm.trainPred.txt b/MiScan/dependency_data/MISCAN.norm.trainPred.txt index 4e70463..b931cdf 100644 --- a/MiScan/dependency_data/MISCAN.norm.trainPred.txt +++ b/MiScan/dependency_data/MISCAN.norm.trainPred.txt @@ -1,2003 +1,3232 @@ -2.1760e-07 -4.1356e-06 -1.9638e-07 -9.3338e-05 -6.6568e-07 -7.8413e-07 -2.2995e-08 -2.0802e-05 -7.8784e-07 -4.4964e-09 -5.5160e-13 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+9.902910590171813965e-01 +9.900430440902709961e-01 +9.323598742485046387e-01 +9.924518465995788574e-01 +9.809442162513732910e-01 +9.173715710639953613e-01 +9.389032721519470215e-01 +9.939543604850769043e-01 diff --git a/MiScan/layers.py b/MiScan/layers.py new file mode 100644 index 0000000..1ec6f38 --- /dev/null +++ b/MiScan/layers.py @@ -0,0 +1,33 @@ +from keras.layers import Dense, ReLU, Softmax, LeakyReLU + + +def dense(units, + activation=None, + use_bias=True, + kernel_initializer='glorot_uniform', + bias_initializer='zeros', + kernel_regularizer=None, + bias_regularizer=None, + activity_regularizer=None, + kernel_constraint=None, + bias_constraint=None, + **kwargs): + return Dense( + units, activation=activation, use_bias=use_bias, + kernel_initializer=kernel_initializer, bias_initializer=bias_initializer, + kernel_regularizer=kernel_regularizer, bias_regularizer=bias_regularizer, + kernel_constraint=kernel_constraint, bias_constraint=bias_constraint, + activity_regularizer=activity_regularizer, **kwargs + ) + + +def activation(type='relu'): + if type not in ['relu', 'softmax', 'leakyrelu']: + raise ValueError('not support for : %s' % type) + + if type == 'relu': + return ReLU() + elif type == 'softmax': + return Softmax() + elif type == 'leakyrelu': + return LeakyReLU() diff --git a/MiScan/model.py b/MiScan/model.py index ddafb27..5d2a6d4 100644 --- a/MiScan/model.py +++ b/MiScan/model.py @@ -1,35 +1,29 @@ -from keras import Sequential -from keras.activations import softmax -from keras.layers import MaxoutDense, Dropout, Dense +from keras import Model +from keras.layers import Dropout, Input from keras.optimizers import adam -from .utils import nb_dense, nb_hidden_units, cut_off -from .utils import nb_fea as nb_dim +from .layers import dense, activation -def build_model(dim=nb_dim): - """ - build MiScan Maxout model +def build_dense_model(input_dim=13885, + lr=1e-6, + dropout=0.25, + acti='leakyrelu' + ): + input_x = Input(shape=(input_dim,), name="input", dtype='float32') + x = dense(256)(input_x) + x = activation(type=acti)(x) + x = Dropout(dropout)(x) - :param dim: feature num , 13885 in this case - :return: - """ - model = Sequential() - model.add(MaxoutDense(nb_hidden_units, nb_feature=nb_dense, input_dim=dim)) - model.add(Dropout(cut_off)) - model.add(MaxoutDense(nb_hidden_units, nb_feature=nb_dense)) - model.add(Dropout(cut_off)) - model.add(MaxoutDense(nb_hidden_units, nb_feature=nb_dense)) - model.add(Dropout(cut_off)) - model.add(MaxoutDense(nb_hidden_units, nb_feature=nb_dense)) - model.add(Dropout(cut_off)) - model.add(MaxoutDense(nb_hidden_units, nb_feature=nb_dense)) - model.add(Dropout(cut_off)) - model.add(MaxoutDense(nb_hidden_units, nb_feature=nb_dense)) - model.add(Dropout(cut_off)) - model.add(MaxoutDense(nb_hidden_units, nb_feature=nb_dense)) - model.add(Dropout(cut_off)) - model.add(Dense(2, activation=softmax)) + x = dense(128)(x) + x = activation(type=acti)(x) + x = Dropout(dropout)(x) - model.compile(loss='categorical_crossentropy', optimizer=adam(lr=1e-3), metrics=['accuracy']) + x = dense(64)(x) + x = activation(type=acti)(x) + x = Dropout(dropout)(x) + + last = dense(2, activation='softmax')(x) + model = Model(inputs=input_x, outputs=last) + model.compile(loss='categorical_crossentropy', optimizer=adam(lr=lr), metrics=['accuracy']) return model diff --git a/MiScan/utils/__init__.py b/MiScan/utils/__init__.py index 3fc1594..b43c2a5 100644 --- a/MiScan/utils/__init__.py +++ b/MiScan/utils/__init__.py @@ -1,7 +1,7 @@ from .constants import * -from .files import exists_or_mkdir, file_exists +from .files import exists_or_mkdir, file_exists, check_file from .util import time_it, get_data __all__ = ['exists_or_mkdir', 'file_exists', 'time_it', 'get_data', - 'nb_dense', 'nb_fea', 'nb_hidden_units', 'cut_off'] + 'nb_dense', 'nb_fea', 'nb_hidden_units', 'cut_off', 'check_file'] diff --git a/MiScan/utils/files.py b/MiScan/utils/files.py index cc00c31..4b44bc3 100644 --- a/MiScan/utils/files.py +++ b/MiScan/utils/files.py @@ -1,5 +1,6 @@ -from os import makedirs -from os.path import exists, isfile +from os import makedirs, remove, getcwd, listdir +from os.path import exists, isfile, join +import re def exists_or_mkdir(path, verbose=False): @@ -31,3 +32,48 @@ def file_exists(filepath): """Check whether a file exists by given file path.""" return isfile(filepath) + +def check_file(path, verbose=True): + """Check a file by given name, if exist, then delete and return 0, + else, return 1. + Parameters + ---------- + path : str + A file path. + verbose : boolean + If True (default), prints results. + Returns + -------- + int + 0 if file already exist and delete the file, otherwise, returns 1. + """ + if exists(path) and isfile(path): + remove(path) + if verbose: + print("[*] delete original %s ..." % path) + return 0 + else: + return 1 + + +def load_file_list(path=None, regx=r'\.csv$', printable=True): + """Return a file list in a folder by given a path and regular expression. + Parameters + ---------- + path : a string or None + A folder path. + regx : a string + The regx of file name. + printable : boolean, whether to print the files infomation. + """ + if not path: + path = getcwd() + file_list = listdir(path) + return_list = [] + for f in file_list: + if re.search(regx, f): + return_list.append(join(path, f)) + if printable: + print('Match file example = %s' % (str(return_list[0]))) + print('Number of files = %d in path: %s' % (len(return_list), path)) + return return_list diff --git a/README.rst b/README.rst index 5b6e245..e93d8b7 100644 --- a/README.rst +++ b/README.rst @@ -24,4 +24,5 @@ the website_ version(website introduction_) .. _documentation: https://miscan-cli.readthedocs.io .. _website: http://qulab.ustc.edu.cn/miscan +.. _QunKunLab: https://github.com/QuKunLab/MiScan .. _introduction: https://miscan-cli.readthedocs.io/en/latest/website.html diff --git a/docs/source/API/index.rst b/docs/source/API/index.rst index c9390bb..4c5b46e 100644 --- a/docs/source/API/index.rst +++ b/docs/source/API/index.rst @@ -14,27 +14,26 @@ MiScan utils ~~~~~~~~~~~~~~~~ .. autosummary:: + :toctree: . utils.exists_or_mkdir utils.file_exists utils.get_data -MiScan Core -~~~~~~~~~~~~~~~~ - -.. autosummary:: - logging.get_logger - MiScan model ~~~~~~~~~~~~~~~~ .. autosummary:: + :toctree: . + model.build_model MiScan Core ~~~~~~~~~~~~~~~~ .. autosummary:: + :toctree: . + core.vcf_to_sparse core.prediction core.generate_report diff --git a/docs/source/conf.py b/docs/source/conf.py index ee3b532..5e6b47e 100644 --- a/docs/source/conf.py +++ b/docs/source/conf.py @@ -22,9 +22,9 @@ project = 'MiScan' copyright = '2019, Qulab USTC' author = 'Qulab USTC' -version = '1.0.1' +version = '1.0.2' # The full version, including alpha/beta/rc tags -release = '1.0.1' +release = '1.0.2' # -- General configuration --------------------------------------------------- diff --git a/docs/source/index.rst b/docs/source/index.rst index 32e7c26..307f992 100644 --- a/docs/source/index.rst +++ b/docs/source/index.rst @@ -32,7 +32,7 @@ .. |Travis| image:: https://img.shields.io/travis/com/jefferyustc/MiScan_cli :alt: Travis (.com) -MiScan: Maxout-inferred SNV-based cancer prediction model +MiScan: mutation-inferred screening model of breast cancer ============================================================== | @@ -41,9 +41,9 @@ MiScan: Maxout-inferred SNV-based cancer prediction model | -Here we present a Maxout-inferred SNV-based can cer prediction model (MiScan) for screening of breast cancer patients +Here we present MiScan: mutation-inferred screening model of cancer for screening of breast cancer patients using genotype information from blood samples. We coarsened 119,318 variants into 13,885 genomic windows, and trained -MiScan with coarse-grained mutation information from 986 breast cancer patients and 2,003 healthy people. To promote +MiScan with coarse-grained mutation information from 1183 breast cancer patients and 3232 healthy people. To promote the application of MiScan for breast cancer prediction and prevention, we established an interactive website_, which automatically provides a breast cancer risk assessment feedback report from genotype information as input. diff --git a/docs/source/references.rst b/docs/source/references.rst index 5aa9797..b399e47 100644 --- a/docs/source/references.rst +++ b/docs/source/references.rst @@ -1,7 +1,7 @@ References ================ -[Tensorflow]_, [Keras]_, [Maxout]_ provides great inspiration to our project. +[Tensorflow]_, [Keras]_, provides great inspiration to our project. .. [Tensorflow] Abadi, Martín, et al. "Tensorflow: A system for large-scale machine learning." 12th {USENIX} Symposium on Operating Systems Design and Implementation ({OSDI} 16). 2016. @@ -10,7 +10,4 @@ References .. [Keras] Chollet, François. "Keras." (2015). `Keras `__ -.. [Maxout] Goodfellow, Ian J., et al. - "Maxout networks." arXiv preprint arXiv:1302.4389 (2013). - `Maxout networks `__ diff --git a/docs/source/tutorial.rst b/docs/source/tutorial.rst index c28bd02..56896c6 100644 --- a/docs/source/tutorial.rst +++ b/docs/source/tutorial.rst @@ -52,5 +52,5 @@ users can also execute this from script:: -.. _FTP: http://galaxy.ustc.edu.cn:30803/liunianping/miscan/miscan_test_data/ -.. _here: http://galaxy.ustc.edu.cn:30803/liunianping/miscan/miscan_model/ \ No newline at end of file +.. _FTP: http://galaxy.ustc.edu.cn:30803/MiScan/miscan_test_data/ +.. _here: http://galaxy.ustc.edu.cn:30803/MiScan/miscan_model/MiScan_weight.h5 \ No newline at end of file diff --git a/requirements.txt b/requirements.txt index b077c70..bf08968 100644 --- a/requirements.txt +++ b/requirements.txt @@ -1,30 +1,58 @@ absl-py==0.7.1 adjustText==0.7.3 -astor==0.8.0 +astor==0.7.1 +bleach==3.1.0 +certifi==2019.9.11 +chardet==3.0.4 cycler==0.10.0 +docutils==0.15.2 +entrypoints==0.3 gast==0.2.2 -google-pasta==0.1.7 -grpcio==1.22.0 +grpcio==1.19.0 h5py==2.9.0 +idna==2.8 +importlib-metadata==0.23 +joblib==0.13.2 Keras==2.2.4 -Keras-Applications==1.0.8 -Keras-Preprocessing==1.1.0 -kiwisolver==1.1.0 -Markdown==3.1.1 +Keras-Applications==1.0.7 +Keras-Preprocessing==1.0.9 +keyring==19.2.0 +kiwisolver==1.0.1 +llvmlite==0.29.0 +Markdown==3.0.1 matplotlib==3.1.1 -numpy==1.16.4 -pandas==0.24.2 -protobuf==3.9.0 -pyparsing==2.4.0 +mock==2.0.0 +more-itertools==7.2.0 +numba==0.44.0 +numpy==1.17.0 +opencv-python==4.0.0.21 +pandas==0.25.0 +patsy==0.5.1 +pbr==5.1.3 +Pillow==6.0.0 +pkginfo==1.5.0.1 +protobuf==3.7.0 +Pygments==2.4.2 +pyparsing==2.3.1 python-dateutil==2.8.0 -pytz==2019.1 -PyYAML==5.1.1 -scipy==1.3.0 +pytz==2018.9 +PyYAML==5.1 +readme-renderer==24.0 +requests==2.22.0 +requests-toolbelt==0.9.1 +scikit-learn==0.20.3 +scipy==1.2.1 seaborn==0.9.0 six==1.12.0 -tensorboard==1.14.0 -tensorflow==1.14.0 -tensorflow-estimator==1.14.0 +statsmodels==0.10.2 +tensorboard==1.13.1 +tensorflow==1.13.1 +tensorflow-estimator==1.13.0 termcolor==1.1.0 -Werkzeug==0.15.5 -wrapt==1.11.2 +tqdm==4.38.0 +twine==3.0.0 +umap-learn==0.3.9 +urllib3==1.25.7 +webencodings==0.5.1 +Werkzeug==0.15.0 +zipp==0.6.0 diff --git a/setup.py b/setup.py index dbc77ea..b9c91da 100644 --- a/setup.py +++ b/setup.py @@ -7,15 +7,15 @@ setuptools.setup( name="MiScan", - version="1.0.1.post1", + version="1.1.1", author='Qulab USTC', author_email="jeffery_cpu@163.com", - description="Maxout-inferred SNV-based cancer prediction model", + description="MiScan: mutation-inferred screening model of cancer", long_description=long_description, - long_description_content_type="text/markdown", + long_description_content_type="text/x-rst", url="https://github.com/QuKunLab/MiScan", project_urls={ - 'MiScan website': 'http://galaxy.ustc.edu.cn', + 'MiScan website': 'http://qulab.ustc.edu.cn/miscan', }, zip_safe=False, keywords="deep learning SNV breast cancer prediction", diff --git a/tests/test_model.py b/tests/test_model.py index 84030ef..0666441 100644 --- a/tests/test_model.py +++ b/tests/test_model.py @@ -1,4 +1,4 @@ -from MiScan.model import build_model +from MiScan.model import build_dense_model as build_model import unittest