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990 lines (898 loc) · 61.8 KB
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# -*- coding : utf-8-*-
# coding:unicode_escape
import pandas as pd
import numpy as np
import sklearn
from sklearn.model_selection import train_test_split
from sklearn.linear_model import LogisticRegression, LinearRegression
import sklearn.naive_bayes as bayes
from sklearn.ensemble import AdaBoostClassifier, GradientBoostingClassifier, RandomForestClassifier
from sklearn.neighbors import KNeighborsClassifier
from sklearn.svm import SVC
from sklearn.model_selection import cross_val_score
from sklearn.tree import DecisionTreeClassifier
from train_keras_redefined_loss_test_single_task import run
from predict_keras_redefined_loss_test_single_task import predict
import time
import tools
#tensorboard command:tensorboard --logdir="~/methylation-github/tensorboard_log/
import random
import torch
def setup_seed(seed):
torch.manual_seed(seed)
torch.cuda.manual_seed_all(seed)
np.random.seed(seed)
random.seed(seed)
torch.backends.cudnn.deterministic = True
print("random seed setup:"+str(seed))
def make_print_to_file(path='./'):
'''
path, it is a path for save your log about fuction print
example:
use make_print_to_file() and the all the information of funtion print , will be write in to a log file
:return:
'''
import os
import sys
import datetime
class Logger(object):
def __init__(self, filename="Default.log", path="./"):
self.terminal = sys.stdout
self.path = os.path.join(path, filename)
self.log = open(self.path, "a", encoding='utf8', )
print("save:", os.path.join(self.path, filename))
def write(self, message):
self.terminal.write(message)
self.log.write(message)
def flush(self):
pass
fileName = datetime.datetime.now().strftime('day' + '%Y_%m_%d')
sys.stdout = Logger(fileName + '.log', path=path)
#############################################################
# all the print from this will be written into log
#############################################################
print(fileName.center(60, '*'))
time_start = time.time()
make_print_to_file(path='./log/')
KnnMod = KNeighborsClassifier()
LrMod = LogisticRegression()
BayesBernlliMod = bayes.BernoulliNB(alpha=1.0, binarize=0.0, fit_prior=True, class_prior=None)
BayesGaussianMod = bayes.GaussianNB()
DecisionTreeMod = DecisionTreeClassifier(
criterion='entropy',
max_depth=None, min_samples_split=2,
min_samples_leaf=1, max_features=None
)
SvmMod = SVC(probability=True)
adaMod = AdaBoostClassifier(base_estimator=None)
gbMod = GradientBoostingClassifier(loss='deviance', learning_rate=0.1, n_estimators=200, subsample=1.0,
min_samples_split=2, min_samples_leaf=1, min_weight_fraction_leaf=0.0, max_depth=3,
init=None, random_state=None, max_features=None, verbose=0)
rfMod = RandomForestClassifier(n_estimators=100, criterion='gini', max_depth=None, min_samples_split=2,
min_samples_leaf=1, min_weight_fraction_leaf=0.0, max_features='auto',
max_leaf_nodes=None, bootstrap=True, oob_score=False, n_jobs=1, random_state=None,
verbose=0)
LinRegMod = LinearRegression(fit_intercept=True, normalize=False, copy_X=True, n_jobs=1)
mod_list = [LinRegMod, KnnMod, LrMod, BayesBernlliMod, BayesGaussianMod, DecisionTreeMod, SvmMod, adaMod, gbMod, rfMod]
def crossDict(functions, train_x, train_y, cv, verbose, scr, test_x, test_y):
valDict = {}
for func in functions:
valScore = cross_val_score(func, train_x, train_y, cv=cv, verbose=verbose, scoring=scr)
func.fit(train_x, train_y)
testScore = func.score(test_x, test_y)
valDict[str(func).split('(')[0]] = [valScore.mean(), valScore.std(), testScore]
return valDict
#############################################
num_of_selected_residue_loop_set = [200]#,300]#,200,2000]#,200,2000]#1000,2000]#20,30,40,50,100,200,400,500,1000,2000]#,4000]
# num_of_selected_residue = 25
skip_connection_mode = "VAE&unet&hdmsk-2enc$20$.50"#"unet"
# "unet" : unet shape skip connection of autoencoder
# "VAE" : Variational Autoencoder
# hdmsk:"hardmask":hard defined masked linear layer to define explainable (sparse) neural network (for decoder)
# hdmsk-2enc:"hardmask-2encoder":hard defined masked linear layer to define encoder(2 layers,site-gene-pathway) and decoder.
# hdmsk-4enc-self-fc"hardmask-4encoder-self-fc":hard defined masked linear layer to define encoder(4 layers,site-gene-fc-pathway-fc) and decoder.
# after"^"is regularization mode,
# "^all" regularize all weight
# "^dec" regularize all decoder weight
# "^sftall" regularize softmask(site-gene-pathway) all encoder and decoder.
# "^sftde" regularize softmask(site-gene-pathway) decoder.
# "*"means we will visualize the weight
# "umap"means we will visualize the data
# "umapo"means only visualize input
# "umape" means visualize embedding
# "umapet+100+" means visualize embedding throughout the training, the number inside + is the number of epoch when draw umap
# "#" means constractive learning loss
# "dpot" means dropout(for abalation study) ratio=0.5
# "dpots" means dropout, ratio same as the number of mask in site-gene/gene-pathway layer.
# "dpotb" means hardmask and dropout both
# "@c@" mask option is count,"@p@"mask option is probability
# "$20$" means mask 20percent/count(based on mask option) of the network site-gene-pathway connection
# ".50.", or ".xx." means , it will make the connection not defined by site-gene-pathway, mask 0.50(or other values) but not originally hard 0
# "no" : no skip connection of autoencoder
multiDatasetMode = "single-task"#"pretrain-finetune" # 'multi-task's#"pretrain-finetune" #'multi-task'
# 'softmax': multi-class, with last layer of MeiNN is softmax
# 'multi-task': multi-task solution with network architecture for each task
# 'pretrain-finetune': first pretrain a big model with multi-tasks, then finetune each single dataset classifier
# 'single-task' only test single task for abalation study
multi_task_training_policy= "ROnP"#"ReduceLROnPlateau"#"MGDA"#"ReduceLROnPlateau"#"low_vali_accu&single_loss"
# "low_vali_accu": will train the lowest validation accuracy
# "single_loss" when train the single classifier, only focus on the single_classifier_loss
# grad adaptive: will assign adaptive weight to the tasks according to gradient. w(t+1)=w(t)+lambda*beta(t). beta(t)= gradient of different task to w
# "smaller_learning_rate": when finetuning, use smaller learning rate #can use learning_rate_list to modify lr
# "ROnP":"ReduceLROnPlateau": smaller learning rate when metric not improving
# optimizer = torch.optim.SGD(model.parameters(), lr=0.1, momentum=0.9)
# scheduler = ReduceLROnPlateau(optimizer, 'min')
# "MGDA":https://github.com/intel-isl/MultiObjectiveOptimization
# https://arxiv.org/pdf/1810.04650.pdf
# "no" and others:original policy
# After "~" is the multi-task weight assignment policy:
# "~uni"
# "~ran"
# "~re-val"
# "pwre-val"
# "re-ss"
# "norm"#TODO:to fix
# "s-gdnm"simple gradnorm # TODO:to fix
# "DRO"
#"GradientLeakyRelu"
optimizer="Adam"
#SGD/Adam
learning_rate_list=[1e-3,1e-4,1e-4]#[1e-3,1e-4,1e-4]
#pretrain-singleclassifier-finetune, three stage, each use i-th element in the list as learning rate
setup_seed(3407)
for num_of_selected_residue in num_of_selected_residue_loop_set:
for skip_connection_mode in ["VAE&hdmsk-4enc-self&batchnorm@p@$20$.50.umapet+100+","VAE&hdmsk-2enc&batchnorm@p@$20$.50.umapet+100+"]:#,"VAE&hdmsk-4enc-self-fc&batchnorm@p@$20$.50.umapet+100+"]:#"VAE&hdmsk-4enc-self-fc&batchnorm","VAE&hdmsk-2enc","VAE&hdmsk&batchnorm","VAE&batchnorm","unet&batchnorm","VAE&unet&batchnorm"]:#,,"VAE&hdmsk-2enc","VAE&unet&hdmsk","VAE&hdmsk","VAE","unet&hdmsk"]:#,"unet"]:#,"unet","no"]:
for multi_task_training_policy in ["no~re-val"]:#,"no~re-ss"]:#,"no~pwre-val"]:#,"no~ran","ROnP~re-val"]:#"no~pwre-val","no~re-val","no~ran","ROnPo~pwre-val"]:#"no~ran","no~re-val","no~pwre-val","no~re-ss","no~norm","no~s-gdnm","no~DRO"]:#,"no","ROnP"]:#"ReduceLROnPlateau"]:
time_preprocessing_start = time.time()
justToCheckBaseline = False
toFillPoint5 = True
toMask = True
framework = 'pytorch'
'''
if framework=='keras':
from train_keras_redefined_loss import run
from predict_keras_redefined_loss import predict
elif framework=='pytorch':
from train_pytorch import run
from predict_pytorch import predict
'''
# from test import select_feature
import torch
torch.set_printoptions(profile="full")
# from torchsummary import summary
platform = "platform.json"
model_type = "AE" # "RandomForest"
predict_model_type = "L2"
data_type = "origin_data"
dataset_type = "train"
isTrain = True #False #True#True#False
toTrainAE = True # False #True
toTrainNN = True # False #True
isPredict = True # False #True
toTrainMeiNN = True
toAddGeneSite = True
toAddGenePathway = True
just_check_data = False
toValidate = True#False
validate_rate = 0.1
onlyGetPredictionFromLocalAndCheckAccuracy = False
lossMode = 'reg_mean'
# reg_mean: we set loss as mean of regularization+prediction loss
# auto_scale:
# no:no mode
selectNumResidueMode = 'num'
# num:define num of selected residue
# pvalue:define a threshold of pvalue
# min: index will be minimum of 1,num_of_selected and 2.(last index pvalue which < pvalueThreshold)
pvalueThreshold = 1e-5
selectNumPathwayMode = 'eq_dif' # '=num_gene'
# '=num_gene': equal number of gene selected
# 'eq_dif':'equal_difference': make pathway-gene-residue an arithmetic sequence
# 'num' : give a value
num_of_selected_pathway = num_of_selected_residue / 2 # TODO: to redesgin the function of num_of_selected_pathway
isMultiDataset = True
datasetNameList = [ 'IBD', 'MS', 'Psoriasis', 'RA',
'SLE','diabetes1'] # "diabetes1","RA","Psoriasis"]#,"RA","Psoriasis"]#,"Psoriasis","IBD"]# ['diabetes1','Psoriasis','SLE']
model = None
AE_epoch = 800#00#800#200#00#00 # *len(datasetNameList)
NN_epoch = 800#100#800#200#00#00 # *len(datasetNameList)
batch_size_mode = "ratio"
batch_size_ratio = 1.0 #1.0
# if batch_size_mode="ratio",batch_size = int(gene_data_train.shape[1]*batch_size_ratio)
separatelyTrainAE_NN = False
toAddSkipConnection = False
ae = None
fcn = None
myMeiNN = None
code = ''
for i in datasetNameList:
code += (i + '-') # "GSE66695"#GSE42861_processed_methylation_matrix #"GSE66695-series"
num_of_selected_residue_list = [2000, 2000, 2000]
h_dim = 60 * len(datasetNameList)
date = '23-5-15-f0%sAep%d-Site%sPath%s-res%d-lM-%s-sep%s-%s-pMd%s-btsz%.1f-skpcnt%s-plcy%s' % (
(len(datasetNameList) > 1), AE_epoch, toAddGeneSite, toAddGenePathway, num_of_selected_residue,
lossMode,
separatelyTrainAE_NN, multiDatasetMode, selectNumPathwayMode, batch_size_ratio, skip_connection_mode,multi_task_training_policy)#NN_epoch,
keras = True
path = r"./result/"
selected_residue_name_list = set()
# filename_dict = {'small': "./dataset/data_train.txt"}
def binearySearch_df(df, threshold):
# pvaluePos=0
left = 0
right = len(df) - 1
while left < right:
middle = int(left + (right - left) / 2)
if df.iloc[middle, -1] >= threshold:
right = middle - 1
elif df.iloc[middle, -1] < threshold: # avoid infinte loop
if left == middle:
if df.iloc[right, -1] < threshold:
left = right
break
else:
left = middle # keep index < threshold incase it's last one
'''two possibility if jump out of loop
1.break,at this time left == right
2.left == right
3.left > right,when all element >=threshold,at this time left == 0 & & right == -1'''
if df.iloc[left, -1] < threshold:
return left
else:
return -1
# return pvaluePos
def save_cached_data(num_of_selected_residue, code, selectNumPathwayMode, selectNumResidueMode, toFillPoint5,
toValidate, train_data, train_label, test_data, test_label, valid_data, valid_label):
cache_name = "./cache/" + str(
num_of_selected_residue) + code + selectNumPathwayMode + selectNumResidueMode + str(toFillPoint5) + str(
toValidate)
if toValidate:
valid_data.to_csv(cache_name + "valid_data", sep='\t')
valid_label.to_csv(cache_name + "valid_label", sep='\t')
train_data.to_csv(cache_name + "train_data", sep='\t')
train_label.to_csv(cache_name + "train_label", sep='\t')
test_data.to_csv(cache_name + "test_data", sep='\t')
test_label.to_csv(cache_name + "test_label", sep='\t')
def read_cached_data(num_of_selected_residue, code, selectNumPathwayMode, selectNumResidueMode, toFillPoint5,
toValidate):
cache_name = "./cache/" + str(
num_of_selected_residue) + code + selectNumPathwayMode + selectNumResidueMode + str(toFillPoint5) + str(
toValidate)
train_data = pd.read_csv(cache_name + "train_data", sep='\t', index_col=0)
train_label = pd.read_csv(cache_name + "train_label", sep='\t', index_col=0)
test_data = pd.read_csv(cache_name + "test_data", sep='\t', index_col=0)
test_label = pd.read_csv(cache_name + "test_label", sep='\t', index_col=0)
if toValidate:
valid_data = pd.read_csv(cache_name + "valid_data", sep='\t', index_col=0)
valid_label = pd.read_csv(cache_name + "valid_label", sep='\t', index_col=0)
return train_data, train_label, test_data, test_label, valid_data, valid_label
return train_data, train_label, test_data, test_label
def exists_cached_data(num_of_selected_residue, code, selectNumPathwayMode, selectNumResidueMode, toFillPoint5,
toValidate):
cache_name = "./cache/" + str(
num_of_selected_residue) + code + selectNumPathwayMode + selectNumResidueMode + str(toFillPoint5) + str(
toValidate)
print("in function exists_cached_data()")
print(os.path.exists(cache_name + "train_data"))
print(os.path.exists(cache_name + "train_label"))
print(os.path.exists(cache_name + "test_data"))
print(os.path.exists(cache_name + "test_label"))
if os.path.exists(cache_name + "train_data"):
print("cache train data exists")
if os.path.exists(cache_name + "train_label"):
print("cache train label exists")
if os.path.exists(cache_name + "test_data"):
print("cache test data exists")
if os.path.exists(cache_name + "test_label"):
print("cache test label exists")
exists_cache = os.path.exists(cache_name + "train_data") and \
os.path.exists(cache_name + "train_label") and \
os.path.exists(cache_name + "test_data") and \
os.path.exists(cache_name + "test_label")
print("exists_cache=")
print(exists_cache)
if toValidate:
return exists_cache and os.path.exists(cache_name + "valid_data") and os.path.exists(
cache_name + "valid_label")
return exists_cache
def data_preprocessing(data_train, isMultiDataset=False, datasetNameList=[''], index=0,
selected_residue_name_list=set()):
'''
t-test by prediction =0/1.
sort the p-value ascendingly.
select part of the data.
:param data_train:
:param isMultiDataset:
:param datasetNameList:
:param index:
:param selected_residue_name_list:
:return:
'''
y_train = data_train.iloc[:, -1].T
data_train = data_train.iloc[:, :-1].T
data_train_df = pd.DataFrame(data_train)
print("data_train_df=")
print(data_train_df)
print("y_train")
print(y_train)
if datasetNameList[0] == "GSE66695" and len(datasetNameList) == 1:
data_label_df0 = pd.DataFrame(y_train, columns=['Ground Truth'], index=data_train_df.columns)
else:
data_label_df0 = pd.DataFrame(y_train,
columns=['Ground Truth' + datasetNameList[index]]) # datasetNameList[index]+
# data_label_df0.rename(columns={'Ground Truth':datasetNameList[index]+'Ground Truth'})
# data_label_df0['Ground Truth'].rename(datasetNameList[index]+'Ground Truth')
data_label_df = data_label_df0.T
print("data_label_df=")
print(data_label_df)
data_train_label_df = data_train_df.append(data_label_df) # pd.concat([data_train_df, data_label_df], axis=0)
print("after join data and label")
print(data_train_label_df)
from scipy import stats
data_train_label_df_T = data_train_label_df.T
print("data_train_label_df_T[data_train_label_df_T['Ground Truth%s']==1.0]" % datasetNameList[index])
print(data_train_label_df_T[data_train_label_df_T['Ground Truth' + datasetNameList[index]] == 1.0])
t_test_result = stats.ttest_ind(
data_train_label_df_T[data_train_label_df_T['Ground Truth' + datasetNameList[index]] == 1.0],
data_train_label_df_T[data_train_label_df_T['Ground Truth' + datasetNameList[index]] == 0.0])
print("t_testresult=")
print(t_test_result)
print("t_testresult.pvalue=")
print(t_test_result.pvalue)
print("t_testresult.pvalue.shape=")
print(t_test_result.pvalue.shape)
data_train_label_df[datasetNameList[index] + ' pvalue'] = t_test_result.pvalue
print("data_train_label_df added pvalue")
print(data_train_label_df)
print("t_testresult.pvalue.sort()=")
print(np.sort(t_test_result.pvalue))
print("data_train_label_df.sort_values(by='pvalue',ascending=True)")
data_train_label_df_sorted_by_pvalue = data_train_label_df.sort_values(by=datasetNameList[index] + ' pvalue',
ascending=True)
print(data_train_label_df_sorted_by_pvalue)
print("data_train_label_df_sorted_by_pvalue.iloc[1:,:-1])")
data_train_label_df_sorted_by_pvalue_raw = data_train_label_df_sorted_by_pvalue.iloc[:, :-1] # [1:, :-1]
print(data_train_label_df_sorted_by_pvalue_raw)
if selectNumResidueMode == 'num':
selected_residue_train_data = data_train_label_df_sorted_by_pvalue_raw.iloc[:num_of_selected_residue + 1, :]
elif selectNumResidueMode == 'pvalue' or selectNumResidueMode == 'min':
pvaluePos = binearySearch_df(data_train_label_df_sorted_by_pvalue, pvalueThreshold)
if not pvaluePos == -1:
selected_residue_train_data = data_train_label_df_sorted_by_pvalue_raw.iloc[:pvaluePos, :]
else:
raise Exception("ERROR: Cannot find position which satisfies pvalue threshold!")
if selectNumResidueMode == 'min':
min_of_selected_index = min(num_of_selected_residue + 1, pvaluePos)
selected_residue_train_data = data_train_label_df_sorted_by_pvalue_raw.iloc[:min_of_selected_index, :]
else:
raise Exception("ERROR: selectResidueMode can only be num or pvalue")
print("selected_residue_train_data)")
print(selected_residue_train_data)
if index == 0:
selected_residue_name_list = set('')
selected_residue_name_list = selected_residue_name_list.union(
set(selected_residue_train_data.index.values.tolist()))
print("selected_residue_name_list")
print(selected_residue_name_list)
selected_residue_train_data = selected_residue_train_data.sort_index(ascending=True)
print("selected_residue_train_data(sorted by index)")
print(selected_residue_train_data)
data_train = selected_residue_train_data
return data_train, selected_residue_name_list
##############main program starts here#################################################################################################
print("now setting is:")
print(code+date)
train_dataset_filename_list = []
train_label_filename_list = []
test_dataset_filename_list = []
test_label_filename_list = []
valid_data=None
valid_label=None
if len(datasetNameList) > 0 and (not datasetNameList[0] == "GSE66695"):
isSelfCollectedDataset = True
for i, datasetName in enumerate(datasetNameList):
train_dataset_filename_list.append(r"./dataset/" + datasetNameList[
i] + "/beta_value.csv") # "./dataset/data_train.txt"#"./dataset/diabetes1/beta_value.csv"#"./dataset/data_train.txt"# GSE66695_series_matrix.txt"#r"./dataset/data_train.txt"#GSE42861_processed_methylation_matrix.txt
train_label_filename_list.append(r"./dataset/" + datasetNameList[
i] + "/label.csv") # "./dataset/label_train.txt"#"./dataset/diabetes1/label.csv"#"./dataset/label_train.txt"
test_dataset_filename_list.append(r"./dataset/" + datasetNameList[
i] + "/beta_value.csv") # "./dataset/data_test.txt"#"./dataset/diabetes1/beta_value.csv"#"./dataset/data_test.txt"
test_label_filename_list.append(r"./dataset/" + datasetNameList[
i] + "/label.csv") # "./dataset/label_test.txt"#"./dataset/diabetes1/label.csv"#"./dataset/label_test.txt"
elif len(datasetNameList) > 0:
isSelfCollectedDataset = False
train_dataset_filename_list.append(
r"./dataset/data_train.txt") # "./dataset/diabetes1/beta_value.csv"#"./dataset/data_train.txt"# GSE66695_series_matrix.txt"#r"./dataset/data_train.txt"#GSE42861_processed_methylation_matrix.txt
train_label_filename_list.append(
r"./dataset/label_train.txt") # "./dataset/diabetes1/label.csv"#"./dataset/label_train.txt"
test_dataset_filename_list.append(
r"./dataset/data_test.txt") # "./dataset/diabetes1/beta_value.csv"#"./dataset/data_test.txt"
test_label_filename_list.append(r"./dataset/label_test.txt") #
else:
raise Exception("ERROR: datasetNameList is empty")
'''
def print_model_summary_pytorch():
print('###############################################################')
file = open(date + "ae_detail.csv", mode='w', encoding='utf-8')
model_ae=torch.load(date+'_auto-encoder.pth')
summary(model_ae,input_size=(0,809))#, input_size=(3, 512, 512)
#file.write(summary(model_ae,input_size=(0,809)))
print(model_ae)
for name,parameters in model_ae.named_parameters():
print(name+':'+str(parameters.size()))
print(parameters)
file.write(name+':'+str(parameters.size()))
file.write(str(parameters))
print('###############################################################')
'''
toCheckHeatMap = False
if toCheckHeatMap:
from keras import backend as K, losses
from keras.models import load_model
def relu_advanced(x):
return K.relu(x, threshold=0)
def myLoss(y_true, y_pred):
return losses.binary_crossentropy(y_true, y_pred)
loaded_fcn_multitask = load_model(path + date + 'multi-task-MeiNN.h5'
, custom_objects={'relu_advanced': relu_advanced, 'myLoss': myLoss})
print("loaded_fcn_multitask")
print(loaded_fcn_multitask.summary())
import seaborn as sns
import matplotlib.pylab as plt
plt.figure(figsize=(10, 10))
weight = loaded_fcn_multitask.get_weights()
layer_gene_pathway = 12
heat_map_gene_pathway = sns.heatmap(weight[layer_gene_pathway], linewidth=1, annot=False)
plt.title(path + date + 'multi-task-MeiNN gene-pathway HeatMap')
plt.savefig(path + date + 'multi-task-MeiNN_gene_pathway_heatmap.png')
plt.show()
heat_map_gene_pathway_clustered = sns.clustermap(weight[layer_gene_pathway], row_cluster=True, standard_scale=1)
plt.title(path + date + 'multi-task-MeiNN gene-pathway row-clustered cluster Map')
plt.savefig(path + date + 'multi-task-MeiNN_gene_pathway_row-clustered_cluster_map.png')
plt.show()
layer_gene_site = 15
heat_map_gene_site = sns.heatmap(list(weight[layer_gene_site]), linewidth=1, annot=False)
plt.title(path + date + 'multi-task-MeiNN gene-site HeatMap')
plt.savefig(path + date + 'multi-task-MeiNN_gene_site_heatmap.png')
plt.show()
# train
if True or isTrain:
# train_data = pd.read_excel(train_dataset_filename,skiprows=30)#, index_col=0,names=['0','1']#,delimiter='!|\t'
# train_data['0'].str.split('\t', expand=True)
if isSelfCollectedDataset and (not isMultiDataset):
train_data_total = pd.read_csv(train_dataset_filename_list[0], index_col=0) # ,skiprows=30,delimiter='\t')
train_label_total_csv = pd.read_csv(train_label_filename_list[0], index_col=0) # .values.ravel()
train_label_total_csv_df = pd.DataFrame(train_label_total_csv)
train_data_and_label_df = pd.concat([train_data_total, train_label_total_csv_df.T], axis=0)
train_data_and_label_df = data_preprocessing(train_data_and_label_df.T)
train_data, test_data = train_test_split(train_data_and_label_df.T, train_size=0.75, random_state=10)
train_label = train_data.iloc[:, 0].T # train_data.iloc[:,-1].T
test_label = test_data.iloc[:, 0].T # test_data.iloc[:,-1].T
train_data = train_data.iloc[:, 1:].T # train_data.iloc[:, :-1].T
test_data = test_data.iloc[:, 1:].T # test_data.iloc[:, :-1].T
print("train_data_and_label_df")
print(train_data_and_label_df)
print("read train_data_total.shape:")
print(train_data_total.shape)
print(train_data_total)
print("finish read train data")
# train_data,test_data=train_test_split(train_data_total, train_size=0.75, random_state=10)
print("train_data_splited.shape:")
print(train_data.shape)
print(train_data)
print("test_data_splited.shape:")
print(test_data.shape)
print(test_data)
print("train_label_splited.shape:")
print(train_label.shape)
print(train_label)
print("test_label_splited.shape:")
print(test_label.shape)
print(test_label)
'''
train_label_total = pd.read_csv(train_label_filename, index_col=0).values.ravel()
train_label_total_csv=pd.read_csv(train_label_filename,index_col=0)
train_label_total_df=pd.DataFrame(train_label_total)
print("finish read train label total")
print(train_label_total)
print("train_label_total_df")
print(train_label_total_df)
print("train_label_total_csv")
print(train_label_total_csv)
train_label, test_label = train_test_split(train_label_total_csv, train_size=0.75, random_state=10)
'''
elif isSelfCollectedDataset and isMultiDataset:
import os
if not os.path.exists("./cache/"):
current_path = os.getcwd()
os.mkdir(current_path + "./cache/")
if exists_cached_data(num_of_selected_residue, code, selectNumPathwayMode, selectNumResidueMode,
toFillPoint5,
toValidate): # False and os.path.exists(path + date + "_" + code + str(len(datasetNameList)) + "-th multi_df).txt",):
# functionality: we will use cached dataset if we find it in "./cache/" directory
'''multi_train_data_and_label_df = pd.read_csv(
path + date + "_" + code + str(len(datasetNameList)) + "-th multi_df).txt",
sep='\t')
print(
"we finish reading " + path + date + "_" + code + str(len(datasetNameList)) + "-th multi_df).txt")'''
print("There exists cache. We use cache")
if toValidate:
train_data, train_label, test_data, test_label, valid_data, valid_label = read_cached_data(
num_of_selected_residue, code,
selectNumPathwayMode,
selectNumResidueMode, toFillPoint5,
toValidate)
else:
train_data, train_label, test_data, test_label = read_cached_data(num_of_selected_residue, code,
selectNumPathwayMode,
selectNumResidueMode,
toFillPoint5, toValidate)
else:# when multi dataset
for i, dataset_name in enumerate(datasetNameList):
if i > 0:
# train_data_total = pd.read_csv(train_dataset_filename_list[i-1], index_col=0)
train_data_total_last_0 = pd.read_csv(train_dataset_filename_list[i - 1],
index_col=0) # ,skiprows=30,delimiter='\t')
train_label_total_csv_last_0 = pd.read_csv(train_label_filename_list[i - 1],
index_col=0) # .values.ravel()
train_label_total_csv_df_last_0 = pd.DataFrame(train_label_total_csv_last_0)
last_full_df_0 = pd.concat([train_data_total_last_0, train_label_total_csv_df_last_0.T], axis=0)
train_data_total_0 = pd.read_csv(train_dataset_filename_list[i],
index_col=0) # ,skiprows=30,delimiter='\t')
train_label_total_csv_0 = pd.read_csv(train_label_filename_list[i], index_col=0) # .values.ravel()
train_label_total_csv_df_0 = pd.DataFrame(train_label_total_csv_0)
train_data_and_label_df_full_0 = pd.concat([train_data_total_0, train_label_total_csv_df_0.T], axis=0)
train_data_and_label_df_0, selected_residue_name_list = data_preprocessing(
train_data_and_label_df_full_0.T,
isMultiDataset,
datasetNameList, i,
selected_residue_name_list)
print("%d-th %s train_data_and_label_df_0" % (i, dataset_name))
print(train_data_and_label_df_0)
print("%d-th %s read train_data_total_0.shape:" % (i, dataset_name))
print(train_data_total_0.shape)
print(train_data_total_0)
#now we get whole set of selected_residue_name_list from multiple datasets
#################################################################
print("now selected_residue_name_list length is"+str(len(selected_residue_name_list)))
for i, dataset_name in enumerate(datasetNameList):
if i > 0:
# train_data_total = pd.read_csv(train_dataset_filename_list[i-1], index_col=0)
train_data_total_last = pd.read_csv(train_dataset_filename_list[i - 1],
index_col=0) # ,skiprows=30,delimiter='\t')
train_label_total_csv_last = pd.read_csv(train_label_filename_list[i - 1],
index_col=0) # .values.ravel()
train_label_total_csv_df_last = pd.DataFrame(train_label_total_csv_last)
last_full_df = pd.concat([train_data_total_last, train_label_total_csv_df_last.T], axis=0)#concat data and label of last dataset
train_data_total = pd.read_csv(train_dataset_filename_list[i],
index_col=0) # ,skiprows=30,delimiter='\t')
train_label_total_csv = pd.read_csv(train_label_filename_list[i], index_col=0) # .values.ravel()
train_label_total_csv_df = pd.DataFrame(train_label_total_csv)
train_data_and_label_df_full = pd.concat([train_data_total, train_label_total_csv_df.T], axis=0)#concat data and label of current dataset
'''
train_data_and_label_df, selected_residue_name_list = data_preprocessing(
train_data_and_label_df_full.T,
isMultiDataset,
datasetNameList, i,
selected_residue_name_list)
print("%d-th %s train_data_and_label_df" % (i, dataset_name))
print(train_data_and_label_df)'''
print("after have all residue list%d-th %s read train_data_total.shape:" % (i, dataset_name))
print(train_data_total.shape)
print(train_data_total)
#########################################
if i == 0:
'''
multi_train_data_and_label_df = train_data_and_label_df
multi_train_data_and_label_df.to_csv(
path + date + "_" + code + str(
i) + "-th multi_df).txt",
sep='\t')
'''
train_data_and_label_df=train_data_and_label_df_full#added
indexset_now = set(train_data_and_label_df_full.index.values.tolist())
# print("indexset_now")
# print(indexset_now)
intersection_of_residue_now = indexset_now.intersection(selected_residue_name_list)
# print("intersection_of_residue_now")
# print(intersection_of_residue_now)
'''
intersection_of_residue_minus_existed_now = intersection_of_residue_now.difference(
set(train_data_and_label_df.index.values.tolist()))
# print("intersection_of_residue_minus_existed_now")
# print(intersection_of_residue_minus_existed_now)
last_df_with_selected_residue_now = train_data_and_label_df_full.loc[
list(intersection_of_residue_minus_existed_now)]
print("intersection_of_residue_minus_existed_now")
print(last_df_with_selected_residue_now)
train_data_and_label_df_now = pd.concat(
[train_data_and_label_df, last_df_with_selected_residue_now], axis=0)'''
train_data_and_label_df_now=train_data_and_label_df_full.loc[list(intersection_of_residue_now)]#added
print("after 2st concat train_data_and_label_df_now")
print(train_data_and_label_df_now)
###added
multi_train_data_and_label_df=train_data_and_label_df_now#=train_data_and_label_df_full.loc[list(intersection_of_residue_now)]
multi_train_data_and_label_df.to_csv(
path + date + "_" + code + str(
i) + "-th multi_df).txt",
sep='\t')
####################################################
else:#i>0
#-----about last dataset----------------#
'''
print("last_full_df.loc[list(intersection_of_residue)]")
indexset = set(last_full_df.index.values.tolist())
intersection_of_residue = indexset.intersection(selected_residue_name_list)
intersection_of_residue_minus_existed = intersection_of_residue.difference(
set(multi_train_data_and_label_df.index.values.tolist()))
last_df_with_selected_residue = last_full_df.loc[list(intersection_of_residue_minus_existed)]
print(last_df_with_selected_residue)
multi_train_data_and_label_df = pd.concat(
[multi_train_data_and_label_df, last_df_with_selected_residue], axis=0)
print("after 1st concat multi_train_data_and_label_df")
print(multi_train_data_and_label_df)
'''
#---------------------------------------#
indexset_now = set(train_data_and_label_df_full.index.values.tolist())
# print("indexset_now")
# print(indexset_now)
intersection_of_residue_now = indexset_now.intersection(selected_residue_name_list)
# print("intersection_of_residue_now")
# print(intersection_of_residue_now)
'''
intersection_of_residue_minus_existed_now = intersection_of_residue_now.difference(
set(train_data_and_label_df.index.values.tolist()))
# print("intersection_of_residue_minus_existed_now")
# print(intersection_of_residue_minus_existed_now)
last_df_with_selected_residue_now = train_data_and_label_df_full.loc[
list(intersection_of_residue_minus_existed_now)]
print("intersection_of_residue_minus_existed_now")
print(last_df_with_selected_residue_now)
train_data_and_label_df_now = pd.concat(
[train_data_and_label_df, last_df_with_selected_residue_now], axis=0)'''
train_data_and_label_df_now=train_data_and_label_df_full.loc[list(intersection_of_residue_now)]#added
print("after 2st concat train_data_and_label_df_now")
print(train_data_and_label_df_now)
multi_train_data_and_label_df = pd.concat(
[multi_train_data_and_label_df, train_data_and_label_df_now], axis=1)
print("%d-th %s multi preprocessed train data:" % (i, dataset_name))
print(multi_train_data_and_label_df)
multi_train_data_and_label_df.to_csv(
path + date + "_" + code + str(
i) + "-th multi_df).txt",
sep='\t')
multi_train_data_and_label_df = multi_train_data_and_label_df.sort_index(ascending=True)
print("after sort multi_train_data_and_label_df")
print(multi_train_data_and_label_df)
if not toFillPoint5:
multi_train_data_and_label_df = multi_train_data_and_label_df.fillna(0.0)
else:
multi_train_data_and_label_df.iloc[:max(0, len(datasetNameList) - 1) + 1,
:] = multi_train_data_and_label_df.iloc[:max(0, len(datasetNameList) - 1) + 1, :].fillna(0.5) # 0.5
multi_train_data_and_label_df.iloc[max(1, len(datasetNameList)):,
:] = multi_train_data_and_label_df.iloc[max(1, len(datasetNameList)):, :].fillna(0.0)
print("after sort and fill nan multi_train_data_and_label_df")
print(multi_train_data_and_label_df)
train_data, test_data = train_test_split(multi_train_data_and_label_df.T, train_size=0.75,
random_state=10)
if toValidate: # to split train data further, by valiadate rate #haven't implemented completely
valid_data, train_data = train_test_split(train_data, train_size=validate_rate, random_state=10)
train_label = train_data.iloc[:, :max(0, len(datasetNameList) - 1) + 1].T # train_data.iloc[:,-1].T
test_label = test_data.iloc[:, :max(0, len(datasetNameList) - 1) + 1].T # test_data.iloc[:,-1].T
valid_label = valid_data.iloc[:, :max(0, len(datasetNameList) - 1) + 1].T # test_data.iloc[:,-1].T
train_data = train_data.iloc[:, max(1, len(datasetNameList)):].T # train_data.iloc[:, :-1].T
test_data = test_data.iloc[:, max(1, len(datasetNameList)):].T # test_data.iloc[:, :-1].T
valid_data = valid_data.iloc[:, max(1, len(datasetNameList)):].T # test_data.iloc[:, :-1].T
else:
train_label = train_data.iloc[:, :max(0, len(datasetNameList) - 1) + 1].T # train_data.iloc[:,-1].T
test_label = test_data.iloc[:, :max(0, len(datasetNameList) - 1) + 1].T # test_data.iloc[:,-1].T
train_data = train_data.iloc[:, max(1, len(datasetNameList)):].T # train_data.iloc[:, :-1].T
test_data = test_data.iloc[:, max(1, len(datasetNameList)):].T # test_data.iloc[:, :-1].T
valid_label = train_label # TODO: by default if not toValidate, let valid data=train data
valid_data = train_data # TODO: by default
print("finish read train data")
# train_data,test_data=train_test_split(train_data_total, train_size=0.75, random_state=10)
print("train_data_splited.shape:")
print(train_data.shape)
print(train_data)
print("test_data_splited.shape:")
print(test_data.shape)
print(test_data)
print("train_label_splited.shape:")
print(train_label.shape)
print(train_label)
print("test_label_splited.shape:")
print(test_label.shape)
print(test_label)
# if isSelfCollectedDataset and isMultiDataset
# parameters to tell apart different cached data:code, selectNumPathwayMode,selectNumResidueMode,toFillPoint5,toValidate
save_cached_data(num_of_selected_residue, code, selectNumPathwayMode, selectNumResidueMode,
toFillPoint5, toValidate, train_data, train_label, test_data, test_label, valid_data,
valid_label)
elif not isSelfCollectedDataset:
train_data = pd.read_table(train_dataset_filename_list[0], index_col=0)
print("read train_data.shape:")
print(train_data.shape)
print(train_data[0:15])
train_data.head(10)
print("finish read train data")
train_label = pd.read_table(train_label_filename_list[0], index_col=0).values.ravel()
print("finish read train label")
print(train_data.head(10))
test_data = pd.read_table(test_dataset_filename_list[0], index_col=0)
test_label = pd.read_table(test_label_filename_list[0], index_col=0)
time_preprocessing_end = time.time()
if isTrain:
if (not just_check_data):
if (framework == 'keras' or framework == 'pytorch') and toTrainMeiNN == True:
############2022-7-16baseline building############################
if justToCheckBaseline:
csd = crossDict(mod_list, train_data.T, train_label.T, 9, 1, "accuracy", test_data.T, test_label.T)
print("*" * 20 + "baseline models" + "*" * 20)
print(datasetNameList)
print("%d" % num_of_selected_residue)
f = open(path + date + "baseline_model_results.txt", 'w')
df_baseline = pd.DataFrame.from_dict(csd, orient='index', columns=['ValScore Mean', 'ValScore Std', 'TestScore'])
# Save the DataFrame as an Excel file
df_baseline.to_excel(path + date + "baseline_model_results.xlsx", sheet_name='Results')
print(csd)
#########################normal train function#########################################
if not justToCheckBaseline:
myMeiNN, residue_name_list = run(path, date, code, train_data, train_label, platform, model_type,
data_type,
h_dim,
toTrainMeiNN=toTrainMeiNN, toAddGenePathway=toAddGenePathway,
toAddGeneSite=toAddGeneSite, multiDatasetMode=multiDatasetMode,
datasetNameList=datasetNameList,
num_of_selected_residue=num_of_selected_residue,
lossMode=lossMode, selectNumPathwayMode=selectNumPathwayMode,
num_of_selected_pathway=num_of_selected_pathway,
AE_epoch_from_main=AE_epoch, NN_epoch_from_main=NN_epoch,
batch_size_mode=batch_size_mode, batch_size_ratio=batch_size_ratio,
separatelyTrainAE_NN=separatelyTrainAE_NN, toMask=toMask,
framework=framework, skip_connection_mode=skip_connection_mode,
toValidate=toValidate,valid_data=valid_data,valid_label=valid_label,
multi_task_training_policy=multi_task_training_policy,learning_rate_list=learning_rate_list)
if framework == 'keras':
myMeiNN.fcn.summary()
myMeiNN.autoencoder.summary()
elif framework == 'pytorch':
# print(myMeiNN)
pass
elif (toTrainMeiNN == False):
(ae, fcn) = run(path, date, code, train_data, train_label, platform, model_type, data_type, h_dim,
toTrainAE, AE_epoch, NN_epoch)
ae.summary()
fcn.summary()
else:
run(path, date, code, train_data, train_label, platform, model_type, data_type, h_dim, toTrainAE,
toTrainNN,
AE_epoch, NN_epoch)
'''
if keras:
ae.summary()
fcn.summary()
'''
if not justToCheckBaseline:
residue_name_list = np.load(
path + date + "_" + code +"_residue_name_list" + ".txt.npy")
print("test label is")
print(test_label)
# test_label = pd.DataFrame(np.array(test_label)))
test_label.T.to_csv(
path + date + "_" + code + "test_label).txt",
sep='\t')
time_train_end = time.time()
# predict
if isPredict and (not just_check_data) and (not onlyGetPredictionFromLocalAndCheckAccuracy) and (
not justToCheckBaseline) and ("umapo" not in skip_connection_mode):#if umap , not predict
# test_data = pd.read_table(test_dataset_filename, index_col=0)
# test_label = pd.read_table(test_label_filename, index_col=0)
'''
predict(path, date, code, test_data, test_label, platform,
date + "_" + code + "_" + model_type + "_" + data_type + dataset_type + "_model.pickle", model_type,
data_type, model, predict_model_type, residue_name_list, datasetNameList=multi_train_data_and_label_df,
separatelyTrainAE_NN=separatelyTrainAE_NN,multiDatasetMode=multiDatasetMode,framework=framework)'''
if multiDatasetMode == "pretrain-finetune" or multiDatasetMode == "single-task" :# this mode will output values
accuracy_, split_accuracy_list_, single_trained_accuracy, single_trained_split_accuracy_list, finetune_accuracy, finetune_split_accuracy_list=predict(path, date, code, test_data, test_label, platform,
date + "_" + code + "_" + dataset_type + "_model.pickle",
model_type, data_type, h_dim, toTrainMeiNN, model, predict_model_type, residue_name_list,
toAddGenePathway=toAddGenePathway,
toAddGeneSite=toAddGeneSite, multiDatasetMode=multiDatasetMode,
datasetNameList=datasetNameList,
num_of_selected_residue=num_of_selected_residue,
lossMode=lossMode, selectNumPathwayMode=selectNumPathwayMode,
num_of_selected_pathway=num_of_selected_pathway,
AE_epoch_from_main=AE_epoch, NN_epoch_from_main=NN_epoch,
separatelyTrainAE_NN=separatelyTrainAE_NN, framework=framework)
else:
predict(path, date, code, test_data, test_label, platform,
date + "_" + code + "_" + dataset_type + "_model.pickle",
model_type, data_type, h_dim, toTrainMeiNN, model, predict_model_type, residue_name_list,
toAddGenePathway=toAddGenePathway,
toAddGeneSite=toAddGeneSite, multiDatasetMode=multiDatasetMode,
datasetNameList=datasetNameList,
num_of_selected_residue=num_of_selected_residue,
lossMode=lossMode, selectNumPathwayMode=selectNumPathwayMode,
num_of_selected_pathway=num_of_selected_pathway,
AE_epoch_from_main=AE_epoch, NN_epoch_from_main=NN_epoch,
separatelyTrainAE_NN=separatelyTrainAE_NN, framework=framework)
elif isPredict and (not just_check_data) and (onlyGetPredictionFromLocalAndCheckAccuracy) and (
not justToCheckBaseline):
if multiDatasetMode=="pretrain-finetune":
pass
else:
data_test_pred = pd.read_csv(
path + date + "_" + code + "_gene_level" + "(" + data_type + '_' + model_type + ").txt",
sep='\t', index_col=0)
'''path + date + "_" + code +"separateAE-NN=" +
str(separatelyTrainAE_NN) + "pred_list.txt", sep='\t' '''
print("data_test_pred=")
print(data_test_pred)
num_wrong_pred = 0
normalized_pred_out = pd.read_csv(
path + date + "_" + code + "_gene_level" + "(" + data_type + '_' + model_type + "normalized_pred).txt",
sep='\t', index_col=0)
print("normalized pred_out=")
print(normalized_pred_out)
for i, item in enumerate(normalized_pred_out.index):
print("i:%d" % i)
num_wrong_pred += round(abs(test_label.iloc[int(i)] - int(normalized_pred_out.iloc[int(i)])))
print("test label is")
print(test_label)
print("num_wrong_pred=%d, total test num=%d,accuracy=%f" % (
num_wrong_pred, len(test_label), 1.0 - num_wrong_pred / len(test_label)))
'''print("normalized pred_out=")
print(normalized_pred_out)
print("test label is")
print(gene_data_test)
print("num_wrong_pred=%d, total test num=%d,accuracy=%f" % (
num_wrong_pred, len(gene_data_test), 1.0 - num_wrong_pred / len(gene_data_test)))
print(gene_data_test[i])'''
'''
# test(feature selection)
data = pd.read_table(r"./dataset/"+date+"_"+code+"_gene_level("+data_type+"_"+model_type+").txt", index_col=0)
label = pd.read_table(test_label_filename, index_col=0).values.ravel()
'''
# select_feature(code, data, label, gene=True)
time_predict_end = time.time()
print("preprocessing time")
preprocess_time=time_preprocessing_end - time_preprocessing_start #time_start
print(preprocess_time)
print("train time")
train_time=time_train_end - time_preprocessing_end
print(train_time)
print("predict time")
predict_time=time_predict_end - time_train_end
print(predict_time)
if not justToCheckBaseline and ("umapo" not in skip_connection_mode):
tools.print_parameters_settings(code,date,h_dim,toTrainMeiNN, toAddGenePathway,toAddGeneSite, multiDatasetMode,
datasetNameList,
num_of_selected_residue,
lossMode, selectNumPathwayMode,
num_of_selected_pathway,
AE_epoch, NN_epoch,
batch_size_mode,batch_size_ratio,
separatelyTrainAE_NN, toMask,
framework, skip_connection_mode,
split_accuracy_list=split_accuracy_list_, total_accuracy=accuracy_,
split_accuracy_list2=single_trained_split_accuracy_list,
total_accuracy2=single_trained_accuracy,
split_accuracy_list3=finetune_split_accuracy_list, total_accuracy3=finetune_accuracy,toValidate=toValidate,
multi_task_training_policy=multi_task_training_policy,learning_rate_list=learning_rate_list,
preprocess_time=preprocess_time,train_time=train_time,predict_time=predict_time)
tools.add_to_result_csv(code, date, h_dim, toTrainMeiNN, toAddGenePathway, toAddGeneSite, multiDatasetMode,
datasetNameList,
num_of_selected_residue,
lossMode, selectNumPathwayMode,
num_of_selected_pathway,
AE_epoch, NN_epoch,
batch_size_mode, batch_size_ratio,
separatelyTrainAE_NN, toMask,
framework, skip_connection_mode,
split_accuracy_list=split_accuracy_list_, total_accuracy=accuracy_,
split_accuracy_list2= single_trained_split_accuracy_list, total_accuracy2=single_trained_accuracy,
split_accuracy_list3=finetune_split_accuracy_list, total_accuracy3=finetune_accuracy,toValidate=toValidate,multi_task_training_policy=multi_task_training_policy,learning_rate_list=learning_rate_list,
preprocess_time=preprocess_time,train_time=train_time,predict_time=predict_time)
#accuracy_, split_accuracy_list_, single_trained_accuracy, single_trained_split_accuracy_list, finetune_accuracy, finetune_s
# plit_accuracy_list