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hyper_main.py
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hyper_main.py
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import torch
import json
import os
import argparse
import random
import pickle
from collections import defaultdict
import itertools
from data import DataProvider
import train_dsn
import train_cleit
import train_cleitm
import train_cleita
import train_cleitc
import fine_tuning
from copy import deepcopy
def generate_encoded_features(encoder, dataloader, normalize_flag=False):
"""
:param normalize_flag:
:param encoder:
:param dataloader:
:return:
"""
encoder.eval()
raw_feature_tensor = dataloader.dataset.tensors[0].cpu()
label_tensor = dataloader.dataset.tensors[1].cpu()
encoded_feature_tensor = encoder.cpu()(raw_feature_tensor)
if normalize_flag:
encoded_feature_tensor = torch.nn.functional.normalize(encoded_feature_tensor, p=2, dim=1)
return encoded_feature_tensor, label_tensor
def load_pickle(pickle_file):
data = []
with open(pickle_file, 'rb') as f:
try:
while True:
data.append(pickle.load(f))
except EOFError:
pass
return data
def wrap_training_params(training_params, type='unlabeled'):
aux_dict = {k: v for k, v in training_params.items() if k not in ['unlabeled', 'labeled']}
aux_dict.update(**training_params[type])
return aux_dict
def safe_make_dir(new_folder_name):
if not os.path.exists(new_folder_name):
os.makedirs(new_folder_name)
else:
print(new_folder_name, 'exists!')
def dict_to_str(d):
return "_".join(["_".join([k, str(v)]) for k, v in d.items()])
def main(args, update_params_dict):
if args.method == 'cleitm':
train_fn = train_cleitm.train_cleitm
elif args.method == 'cleita':
train_fn = train_cleita.train_cleita
elif args.method == 'cleitc':
train_fn = train_cleitc.train_cleitc
elif args.method == 'dsn':
train_fn = train_dsn.train_dsn
else:
train_fn = train_cleit.train_cleit
device = 'cuda' if torch.cuda.is_available() else 'cpu'
with open(os.path.join('model_save', 'train_params.json'), 'r') as f:
training_params = json.load(f)
training_params['unlabeled'].update(update_params_dict)
param_str = dict_to_str(update_params_dict)
training_params.update(
{
'device': device,
'model_save_folder': os.path.join('model_save', args.method, param_str),
'es_flag': False,
'retrain_flag': args.retrain_flag
})
task_save_folder = os.path.join('model_save', args.method, args.measurement)
safe_make_dir(training_params['model_save_folder'])
safe_make_dir(task_save_folder)
data_provider = DataProvider(batch_size=training_params['unlabeled']['batch_size'],
target=args.measurement)
training_params.update(
{
'input_dim': data_provider.shape_dict['gex'],
'output_dim': data_provider.shape_dict['target']
}
)
random.seed(2020)
labeled_dataloader_generator = data_provider.get_labeled_data_generator(omics='mut')
ft_evaluation_metrics = defaultdict(list)
test_ft_evaluation_metrics = defaultdict(list)
fold_count = 0
# start unlabeled training
if 'cleit' not in args.method:
encoder, historys = train_fn(s_dataloaders=data_provider.get_unlabeld_mut_dataloader(match=True),
t_dataloaders=data_provider.get_unlabeled_gex_dataloader(),
**wrap_training_params(training_params, type='unlabeled'))
with open(os.path.join(training_params['model_save_folder'], f'unlabel_train_history.pickle'),
'wb') as f:
for history in historys:
pickle.dump(dict(history), f)
for train_labeled_dataloader, val_labeled_dataloader, test_labeled_dataloader in labeled_dataloader_generator:
ft_encoder = deepcopy(encoder)
target_regressor, ft_historys = fine_tuning.fine_tune_encoder(
encoder=ft_encoder,
train_dataloader=train_labeled_dataloader,
val_dataloader=val_labeled_dataloader,
test_dataloader=test_labeled_dataloader,
seed=fold_count,
metric_name=args.metric,
task_save_folder=task_save_folder,
**wrap_training_params(training_params, type='labeled')
)
with open(os.path.join(training_params['model_save_folder'], f'ft_train_history_{fold_count}.pickle'),
'wb') as f:
for history in ft_historys:
pickle.dump(dict(history), f)
for metric in ['dpearsonr', 'dspearmanr', 'drmse', 'cpearsonr', 'cspearmanr', 'crmse']:
ft_evaluation_metrics[metric].append(ft_historys[-2][metric][ft_historys[-2]['best_index']])
test_ft_evaluation_metrics[metric].append(ft_historys[-1][metric][ft_historys[-2]['best_index']])
fold_count += 1
else:
for train_labeled_dataloader, val_labeled_dataloader, test_labeled_dataloader in labeled_dataloader_generator:
encoder, historys = train_fn(dataloader=data_provider.get_unlabeld_mut_dataloader(match=True),
seed=fold_count,
**wrap_training_params(training_params, type='unlabeled'))
ft_encoder = deepcopy(encoder)
target_regressor, ft_historys = fine_tuning.fine_tune_encoder(
encoder=ft_encoder,
train_dataloader=train_labeled_dataloader,
val_dataloader=val_labeled_dataloader,
test_dataloader=test_labeled_dataloader,
seed=fold_count,
metric_name=args.metric,
task_save_folder=task_save_folder,
**wrap_training_params(training_params, type='labeled')
)
for metric in ['dpearsonr', 'dspearmanr', 'drmse', 'cpearsonr', 'cspearmanr', 'crmse']:
ft_evaluation_metrics[metric].append(ft_historys[-2][metric][ft_historys[-2]['best_index']])
test_ft_evaluation_metrics[metric].append(ft_historys[-1][metric][ft_historys[-2]['best_index']])
fold_count += 1
with open(os.path.join(training_params['model_save_folder'], f'ft_train_history_{fold_count}.pickle'),
'wb') as f:
for history in ft_historys:
pickle.dump(dict(history), f)
with open(os.path.join(task_save_folder, f'{param_str}_test_ft_evaluation_results.json'), 'w') as f:
json.dump(test_ft_evaluation_metrics, f)
with open(os.path.join(task_save_folder, f'{param_str}_ft_evaluation_results.json'), 'w') as f:
json.dump(ft_evaluation_metrics, f)
if __name__ == '__main__':
parser = argparse.ArgumentParser('CLEIT training and evaluation')
parser.add_argument('--method', dest='method', nargs='?', default='cleit',
choices=['cleit', 'cleitc', 'cleita', 'cleitm', 'dsn'])
# parser.add_argument('--drug', dest='drug', nargs='?', default='gem', choices=['gem', 'fu', 'cis', 'tem'])
parser.add_argument('--metric', dest='metric', nargs='?', default='cpearsonr', choices=['cpearsonr', 'dpearsonr'])
parser.add_argument('--measurement', dest='measurement', nargs='?', default='AUC', choices=['AUC', 'LN_IC50'])
parser.add_argument('--n', dest='n', nargs='?', type=int, default=5)
train_group = parser.add_mutually_exclusive_group(required=False)
train_group.add_argument('--train', dest='retrain_flag', action='store_true')
train_group.add_argument('--no-train', dest='retrain_flag', action='store_false')
parser.set_defaults(retrain_flag=True)
args = parser.parse_args()
params_grid = {
# "pretrain_num_epochs": [0, 50, 100, 200, 300],
"train_num_epochs": [100, 300, 500, 1000, 2000, 3000, 5000],
"dop": [0.0, 0.1],
}
keys, values = zip(*params_grid.items())
update_params_dict_list = [dict(zip(keys, v)) for v in itertools.product(*values)]
for param_dict in update_params_dict_list:
main(args=args, update_params_dict=param_dict)