def compute_target_distribution(labels, plot=False, verbose=False):
distribution = pd.DataFrame(labels).sum(axis=0)
if verbose:
print('target feature representation')
print('-----------------------------')
print(distribution.describe())
print('-----------------------------')
if plot:
plot_hist(distribution, 'target feature representation distribution')
return distribution
print(
'Agent: {}, avg reward: {:0.2f}, avg action: {:0.2f}, learning rate: {:0.4f}, batch: {}'
.format(
i, np.mean(test_data[3][i]), np.mean(test_data[2][i]),
*agent.sess.run([agent.learning_rate, agent.global_step])))
# Batch train agent
agent_data = [
train_data[0], train_data[1], train_data[2][i],
train_data[3][i]
]
agent.batch_train(agent_data, save_every=99999999)
agent.epsilon = agent.epsilon * 0.95
plotting.plot_hist(actions[0],
xticks=np.arange(len(env.action_space)),
show=False,
save_path='../plots/monopolist_actions.png')
lines_to_plot = OrderedDict([('Monopolist outcome',
theoretical_opt[0]['profit'])])
plotting.plot_rewards(avg_rewards[0],
lines=lines_to_plot,
show=False,
save_path='../plots/monopolist_rewards.png')
# plotting.plot_signals(signals=[task.episode_observations[0][4]], intercept=task.episode_realized_intercepts[0][3],
# slope=1, show=False, save_path='../plots/signals.png')
# some_intercepts = np.concatenate([i for i in task.episode_realized_intercepts])
# plotting.plot_demand_curves(some_intercepts[:1000], slope=1, xmax=15, ymax=15,
# show=False, save_path='../plots/demand_curves.png')
def run(args):
dirpath = Path(args['dirpath'])
# Data splits
# te_method = args['te_method']
# cv_method = args['cv_method']
# te_size = split_size(args['te_size'])
vl_size = split_size(args['vl_size'])
# Features
cell_fea = args['cell_fea']
drug_fea = args['drug_fea']
fea_list = cell_fea + drug_fea
# Other params
n_jobs = args['n_jobs']
# Hard split
# grp_by_col = None
split_on = args['split_on'] if args['split_on'] is None else args['split_on'].upper()
cv_method = 'simple' if split_on is None else 'group'
te_method = cv_method
# TODO: this needs to be improved
mltype = 'reg' # required for the splits (stratify in case of classification)
# -----------------------------------------------
# Create outdir and logger
# -----------------------------------------------
outdir = Path( str(dirpath) + '_splits' )
os.makedirs(outdir, exist_ok=True)
lg = Logger(outdir/'splitter.log')
lg.logger.info(f'File path: {filepath}')
lg.logger.info(f'\n{pformat(args)}')
# Dump args to file
dump_dict(args, outpath=outdir/'args.txt')
# -----------------------------------------------
# Load and break data
# -----------------------------------------------
lg.logger.info('\nLoad master dataset.')
files = list(dirpath.glob('**/*.parquet'))
if len(files) > 0: data = pd.read_parquet( files[0], engine='auto', columns=None ) # TODO: assumes that there is only one data file
lg.logger.info('data.shape {}'.format(data.shape))
# Split features and traget, and dump to file
lg.logger.info('\nSplit features and meta.')
xdata = extract_subset_fea(data, fea_list=fea_list, fea_sep='_')
meta = data.drop(columns=xdata.columns)
xdata.to_parquet( outdir/'xdata.parquet' )
meta.to_parquet( outdir/'meta.parquet' )
lg.logger.info('Total DD: {}'.format( len([c for c in xdata.columns if 'DD_' in c]) ))
lg.logger.info('Total GE: {}'.format( len([c for c in xdata.columns if 'GE_' in c]) ))
lg.logger.info('Unique cells: {}'.format( meta['CELL'].nunique() ))
lg.logger.info('Unique drugs: {}'.format( meta['DRUG'].nunique() ))
# cnt_fea(df, fea_sep='_', verbose=True, logger=lg.logger)
plot_hist(meta['AUC'], var_name='AUC', fit=None, bins=100, path=outdir/'AUC_hist_all.png')
# -----------------------------------------------
# Generate CV splits (new)
# -----------------------------------------------
"""
np.random.seed(SEED)
idx_vec = np.random.permutation(xdata.shape[0])
cv_folds_list = [1, 5, 7, 10, 15, 20]
lg.logger.info(f'\nStart CV splits ...')
for cv_folds in cv_folds_list:
lg.logger.info(f'\nCV folds: {cv_folds}')
# Convert vl_size into int
# vl_size_int = int(vl_size*len(idx_vec))
# Create CV splitter
cv = cv_splitter(cv_method=cv_method, cv_folds=cv_folds, test_size=vl_size,
mltype=mltype, shuffle=False, random_state=SEED)
# Command meta[split_on].values[idx_vec] returns the vector meta[split_on].values
# in an order specified by idx_vec
# For example:
# aa = meta[split_on][:3]
# print(aa.values)
# print(aa.values[[0,2,1]])
# m = meta[split_on]
cv_grp = meta[split_on].values[idx_vec] if split_on is not None else None
if is_string_dtype(cv_grp): cv_grp = LabelEncoder().fit_transform(cv_grp)
tr_folds = {}
vl_folds = {}
te_folds = {}
# Start CV iters
for fold, (tr_id, vl_id) in enumerate(cv.split(idx_vec, groups=cv_grp)):
lg.logger.info(f'\nFold {fold+1}')
tr_id = idx_vec[tr_id] # adjust the indices!
vl_id = idx_vec[vl_id] # adjust the indices!
# t = meta.loc[tr_id, split_on]
# v = meta.loc[vl_id, split_on]
# print(len(vl_id)/len(idx_vec))
# -----------------
# Store tr ids
tr_folds[fold] = tr_id.tolist()
# Create splitter that splits vl into vl and te (splits by half)
te_splitter = cv_splitter(cv_method=te_method, cv_folds=1, test_size=0.5,
mltype=mltype, shuffle=False, random_state=SEED)
# Update the index array
idx_vec_ = vl_id; del vl_id
te_grp = meta[split_on].values[idx_vec_] if split_on is not None else None
if is_string_dtype(te_grp): te_grp = LabelEncoder().fit_transform(te_grp)
# Split vl set into vl and te
vl_id, te_id = next(te_splitter.split(idx_vec_, groups=te_grp))
vl_id = idx_vec_[vl_id] # adjust the indices!
te_id = idx_vec_[te_id] # adjust the indices!
# v = meta.loc[vl_id, split_on]
# e = meta.loc[te_id, split_on]
# Store vl and te ids
vl_folds[fold] = vl_id.tolist()
te_folds[fold] = te_id.tolist()
# -----------------
lg.logger.info('Train samples {} ({:.2f}%)'.format( len(tr_id), 100*len(tr_id)/xdata.shape[0] ))
lg.logger.info('Val samples {} ({:.2f}%)'.format( len(vl_id), 100*len(vl_id)/xdata.shape[0] ))
lg.logger.info('Test samples {} ({:.2f}%)'.format( len(te_id), 100*len(te_id)/xdata.shape[0] ))
# Confirm that group splits are correct
if split_on is not None:
tr_grp_unq = set(meta.loc[tr_id, split_on])
vl_grp_unq = set(meta.loc[vl_id, split_on])
te_grp_unq = set(meta.loc[te_id, split_on])
lg.logger.info(f'\tTotal group ({split_on}) intersec btw tr and vl: {len(tr_grp_unq.intersection(vl_grp_unq))}.')
lg.logger.info(f'\tTotal group ({split_on}) intersec btw tr and te: {len(tr_grp_unq.intersection(te_grp_unq))}.')
lg.logger.info(f'\tTotal group ({split_on}) intersec btw vl and te: {len(vl_grp_unq.intersection(te_grp_unq))}.')
lg.logger.info(f'\tUnique cell lines in tr: {len(tr_grp_unq)}.')
lg.logger.info(f'\tUnique cell lines in vl: {len(vl_grp_unq)}.')
lg.logger.info(f'\tUnique cell lines in te: {len(te_grp_unq)}.')
# Convet to df
# from_dict takes too long --> faster described here: stackoverflow.com/questions/19736080/
# tr_folds = pd.DataFrame.from_dict(tr_folds, orient='index').T
# vl_folds = pd.DataFrame.from_dict(vl_folds, orient='index').T
tr_folds = pd.DataFrame(dict([ (k, pd.Series(v)) for k, v in tr_folds.items() ]))
vl_folds = pd.DataFrame(dict([ (k, pd.Series(v)) for k, v in vl_folds.items() ]))
te_folds = pd.DataFrame(dict([ (k, pd.Series(v)) for k, v in te_folds.items() ]))
# Dump
tr_folds.to_csv( outdir/f'{cv_folds}fold_tr_id.csv', index=False )
vl_folds.to_csv( outdir/f'{cv_folds}fold_vl_id.csv', index=False )
te_folds.to_csv( outdir/f'{cv_folds}fold_te_id.csv', index=False )
# Plot target dist only for the 1-fold case
# TODO: consider to plot dist for all k-fold where k>1
if cv_folds==1 and fold==0:
plot_hist(meta.loc[tr_id, 'AUC'], var_name='AUC', fit=None, bins=100, path=outdir/'AUC_hist_train.png')
plot_hist(meta.loc[vl_id, 'AUC'], var_name='AUC', fit=None, bins=100, path=outdir/'AUC_hist_val.png')
plot_hist(meta.loc[te_id, 'AUC'], var_name='AUC', fit=None, bins=100, path=outdir/'AUC_hist_test.png')
plot_ytr_yvl_dist(ytr=meta.loc[tr_id, 'AUC'], yvl=meta.loc[vl_id, 'AUC'],
title='ytr_yvl_dist', outpath=outdir/'ytr_yvl_dist.png')
# pd.Series(meta.loc[tr_id, 'AUC'].values, name='ytr').to_csv(outdir/'ytr.csv')
# pd.Series(meta.loc[vl_id, 'AUC'].values, name='yvl').to_csv(outdir/'yvl.csv')
# pd.Series(meta.loc[te_id, 'AUC'].values, name='yte').to_csv(outdir/'yte.csv')
"""
# -----------------------------------------------
# Generate CV splits (new)
# -----------------------------------------------
np.random.seed(SEED)
idx_vec = np.random.permutation(xdata.shape[0])
cv_folds_list = [1, 5, 7, 10, 15, 20]
lg.logger.info(f'\nStart CV splits ...')
for cv_folds in cv_folds_list:
lg.logger.info(f'\nCV folds: {cv_folds}')
# Create CV splitter
cv = cv_splitter(cv_method=cv_method, cv_folds=cv_folds, test_size=vl_size,
mltype=mltype, shuffle=False, random_state=SEED)
cv_grp = meta[split_on].values[idx_vec] if split_on is not None else None
if is_string_dtype(cv_grp): cv_grp = LabelEncoder().fit_transform(cv_grp)
tr_folds = {}
vl_folds = {}
te_folds = {}
# Start CV iters (this for loop generates the tr and vl splits)
for fold, (tr_id, vl_id) in enumerate(cv.split(idx_vec, groups=cv_grp)):
lg.logger.info(f'\nFold {fold}')
tr_id = idx_vec[tr_id] # adjust the indices!
vl_id = idx_vec[vl_id] # adjust the indices!
# -----------------
# Store vl ids
vl_folds[fold] = vl_id.tolist()
# Update te_size to the new full size of available samples
if cv_folds == 1:
te_size_ = vl_size / (1 - vl_size)
else:
te_size_ = len(vl_id)/len(idx_vec) / (1 - len(vl_id)/len(idx_vec))
# Create splitter that splits tr into tr and te
te_splitter = cv_splitter(cv_method=te_method, cv_folds=1, test_size=te_size_,
mltype=mltype, shuffle=False, random_state=SEED)
# Update the index array
idx_vec_ = tr_id; del tr_id
te_grp = meta[split_on].values[idx_vec_] if split_on is not None else None
if is_string_dtype(te_grp): te_grp = LabelEncoder().fit_transform(te_grp)
# Split tr into tr and te
tr_id, te_id = next(te_splitter.split(idx_vec_, groups=te_grp))
tr_id = idx_vec_[tr_id] # adjust the indices!
te_id = idx_vec_[te_id] # adjust the indices!
# Store tr and te ids
tr_folds[fold] = tr_id.tolist()
te_folds[fold] = te_id.tolist()
# -----------------
lg.logger.info('Train samples {} ({:.2f}%)'.format( len(tr_id), 100*len(tr_id)/xdata.shape[0] ))
lg.logger.info('Val samples {} ({:.2f}%)'.format( len(vl_id), 100*len(vl_id)/xdata.shape[0] ))
lg.logger.info('Test samples {} ({:.2f}%)'.format( len(te_id), 100*len(te_id)/xdata.shape[0] ))
# Confirm that group splits are correct
if split_on is not None:
tr_grp_unq = set(meta.loc[tr_id, split_on])
vl_grp_unq = set(meta.loc[vl_id, split_on])
te_grp_unq = set(meta.loc[te_id, split_on])
lg.logger.info(f'\tTotal group ({split_on}) intersec btw tr and vl: {len(tr_grp_unq.intersection(vl_grp_unq))}.')
lg.logger.info(f'\tTotal group ({split_on}) intersec btw tr and te: {len(tr_grp_unq.intersection(te_grp_unq))}.')
lg.logger.info(f'\tTotal group ({split_on}) intersec btw vl and te: {len(vl_grp_unq.intersection(te_grp_unq))}.')
lg.logger.info(f'\tUnique cell lines in tr: {len(tr_grp_unq)}.')
lg.logger.info(f'\tUnique cell lines in vl: {len(vl_grp_unq)}.')
lg.logger.info(f'\tUnique cell lines in te: {len(te_grp_unq)}.')
# Convet to df
# from_dict takes too long --> faster described here: stackoverflow.com/questions/19736080/
# tr_folds = pd.DataFrame.from_dict(tr_folds, orient='index').T
# vl_folds = pd.DataFrame.from_dict(vl_folds, orient='index').T
tr_folds = pd.DataFrame(dict([ (k, pd.Series(v)) for k, v in tr_folds.items() ]))
vl_folds = pd.DataFrame(dict([ (k, pd.Series(v)) for k, v in vl_folds.items() ]))
te_folds = pd.DataFrame(dict([ (k, pd.Series(v)) for k, v in te_folds.items() ]))
# Dump
tr_folds.to_csv( outdir/f'{cv_folds}fold_tr_id.csv', index=False )
vl_folds.to_csv( outdir/f'{cv_folds}fold_vl_id.csv', index=False )
te_folds.to_csv( outdir/f'{cv_folds}fold_te_id.csv', index=False )
# Plot target dist only for the 1-fold case
# TODO: consider to plot dist for all k-fold where k>1
if cv_folds==1 and fold==0:
plot_hist(meta.loc[tr_id, 'AUC'], var_name='AUC', fit=None, bins=100, path=outdir/'AUC_hist_train.png')
plot_hist(meta.loc[vl_id, 'AUC'], var_name='AUC', fit=None, bins=100, path=outdir/'AUC_hist_val.png')
plot_hist(meta.loc[te_id, 'AUC'], var_name='AUC', fit=None, bins=100, path=outdir/'AUC_hist_test.png')
plot_ytr_yvl_dist(ytr=meta.loc[tr_id, 'AUC'], yvl=meta.loc[vl_id, 'AUC'],
title='ytr_yvl_dist', outpath=outdir/'ytr_yvl_dist.png')
# pd.Series(meta.loc[tr_id, 'AUC'].values, name='ytr').to_csv(outdir/'ytr.csv')
# pd.Series(meta.loc[vl_id, 'AUC'].values, name='yvl').to_csv(outdir/'yvl.csv')
# pd.Series(meta.loc[te_id, 'AUC'].values, name='yte').to_csv(outdir/'yte.csv')
# # -----------------------------------------------
# # Train-test split
# # -----------------------------------------------
# np.random.seed(SEED)
# idx_vec = np.random.permutation(xdata.shape[0])
#
# if te_method is not None:
# lg.logger.info('\nSplit train/test.')
# te_splitter = cv_splitter(cv_method=te_method, cv_folds=1, test_size=te_size,
# mltype=mltype, shuffle=False, random_state=SEED)
#
# te_grp = meta[grp_by_col].values[idx_vec] if te_method=='group' else None
# if is_string_dtype(te_grp): te_grp = LabelEncoder().fit_transform(te_grp)
#
# # Split train/test
# tr_id, te_id = next(te_splitter.split(idx_vec, groups=te_grp))
# tr_id = idx_vec[tr_id] # adjust the indices!
# te_id = idx_vec[te_id] # adjust the indices!
#
# pd.Series(tr_id).to_csv( outdir/f'tr_id.csv', index=False, header=[0] )
# pd.Series(te_id).to_csv( outdir/f'te_id.csv', index=False, header=[0] )
#
# lg.logger.info('Train: {:.1f}'.format( len(tr_id)/xdata.shape[0] ))
# lg.logger.info('Test: {:.1f}'.format( len(te_id)/xdata.shape[0] ))
#
# # Update the master idx vector for the CV splits
# idx_vec = tr_id
#
# # Plot dist of responses (TODO: this can be done to all response metrics)
# # plot_ytr_yvl_dist(ytr=tr_ydata.values, yvl=te_ydata.values,
# # title='tr and te', outpath=run_outdir/'tr_te_resp_dist.png')
#
# # Confirm that group splits are correct
# if te_method=='group' and grp_by_col is not None:
# tr_grp_unq = set(meta.loc[tr_id, grp_by_col])
# te_grp_unq = set(meta.loc[te_id, grp_by_col])
# lg.logger.info(f'\tTotal group ({grp_by_col}) intersections btw tr and te: {len(tr_grp_unq.intersection(te_grp_unq))}.')
# lg.logger.info(f'\tA few intersections : {list(tr_grp_unq.intersection(te_grp_unq))[:3]}.')
#
# # Update vl_size to effective vl_size
# vl_size = vl_size * xdata.shape[0]/len(tr_id)
#
# # Plot hist te
# pd.Series(meta.loc[te_id, 'AUC'].values, name='yte').to_csv(outdir/'yte.csv')
# plot_hist(meta.loc[te_id, 'AUC'], var_name='AUC', fit=None, bins=100, path=outdir/'AUC_hist_test.png')
#
# del tr_id, te_id
#
#
# # -----------------------------------------------
# # Generate CV splits
# # -----------------------------------------------
# cv_folds_list = [1, 5, 7, 10, 15, 20, 25]
# lg.logger.info(f'\nStart CV splits ...')
#
# for cv_folds in cv_folds_list:
# lg.logger.info(f'\nCV folds: {cv_folds}')
#
# cv = cv_splitter(cv_method=cv_method, cv_folds=cv_folds, test_size=vl_size,
# mltype=mltype, shuffle=False, random_state=SEED)
#
# cv_grp = meta[grp_by_col].values[idx_vec] if cv_method=='group' else None
# if is_string_dtype(cv_grp): cv_grp = LabelEncoder().fit_transform(cv_grp)
#
# tr_folds = {}
# vl_folds = {}
#
# # Start CV iters
# for fold, (tr_id, vl_id) in enumerate(cv.split(idx_vec, groups=cv_grp)):
# tr_id = idx_vec[tr_id] # adjust the indices!
# vl_id = idx_vec[vl_id] # adjust the indices!
#
# tr_folds[fold] = tr_id.tolist()
# vl_folds[fold] = vl_id.tolist()
#
# # Confirm that group splits are correct
# if cv_method=='group' and grp_by_col is not None:
# tr_grp_unq = set(meta.loc[tr_id, grp_by_col])
# vl_grp_unq = set(meta.loc[vl_id, grp_by_col])
# lg.logger.info(f'\tTotal group ({grp_by_col}) intersections btw tr and vl: {len(tr_grp_unq.intersection(vl_grp_unq))}.')
# lg.logger.info(f'\tUnique cell lines in tr: {len(tr_grp_unq)}.')
# lg.logger.info(f'\tUnique cell lines in vl: {len(vl_grp_unq)}.')
#
# # Convet to df
# # from_dict takes too long --> faster described here: stackoverflow.com/questions/19736080/
# # tr_folds = pd.DataFrame.from_dict(tr_folds, orient='index').T
# # vl_folds = pd.DataFrame.from_dict(vl_folds, orient='index').T
# tr_folds = pd.DataFrame(dict([ (k, pd.Series(v)) for k, v in tr_folds.items() ]))
# vl_folds = pd.DataFrame(dict([ (k, pd.Series(v)) for k, v in vl_folds.items() ]))
#
# # Dump
# tr_folds.to_csv( outdir/f'{cv_folds}fold_tr_id.csv', index=False )
# vl_folds.to_csv( outdir/f'{cv_folds}fold_vl_id.csv', index=False )
#
# # Plot target dist only for the 1-fold case
# if cv_folds==1 and fold==0:
# plot_hist(meta.loc[tr_id, 'AUC'], var_name='AUC', fit=None, bins=100, path=outdir/'AUC_hist_train.png')
# plot_hist(meta.loc[vl_id, 'AUC'], var_name='AUC', fit=None, bins=100, path=outdir/'AUC_hist_val.png')
#
# plot_ytr_yvl_dist(ytr=meta.loc[tr_id, 'AUC'], yvl=meta.loc[vl_id, 'AUC'],
# title='ytr_yvl_dist', outpath=outdir/'ytr_yvl_dist.png')
#
# pd.Series(meta.loc[tr_id, 'AUC'].values, name='ytr').to_csv(outdir/'ytr.csv')
# pd.Series(meta.loc[vl_id, 'AUC'].values, name='yvl').to_csv(outdir/'yvl.csv')
lg.kill_logger()
print('Done.')
def trn_learning_curve(
self,
framework: str = 'lightgbm',
mltype: str = 'reg',
model_name: str = 'lgb_reg', # TODO! this is redundent
init_kwargs: dict = {},
fit_kwargs: dict = {},
clr_keras_kwargs: dict = {},
metrics: list = [
'r2', 'neg_mean_absolute_error', 'neg_median_absolute_error',
'neg_mean_squared_error'
],
n_jobs: int = 4,
random_state: int = None,
plot=True):
"""
Args:
framework : ml framework (keras, lightgbm, or sklearn)
mltype : type to ml problem (reg or cls)
init_kwargs : dict of parameters that initialize the estimator
fit_kwargs : dict of parameters to the estimator's fit() method
clr_keras_kwargs :
metrics : allow to pass a string of metrics TODO!
"""
self.framework = framework
self.mltype = mltype
self.model_name = model_name
self.init_kwargs = init_kwargs
self.fit_kwargs = fit_kwargs
self.clr_keras_kwargs = clr_keras_kwargs
self.metrics = metrics
self.n_jobs = n_jobs
self.random_state = random_state
# Start nested loop of train size and cv folds
tr_scores_all = [] # list of dicts
vl_scores_all = [] # list of dicts
te_scores_all = [] # list of dicts
# Record runtime per shard
runtime_records = []
# CV loop
for fold, (tr_k, vl_k, te_k) in enumerate(
zip(self.tr_dct.keys(), self.vl_dct.keys(),
self.te_dct.keys())):
fold = fold + 1
if self.logger is not None:
self.logger.info(f'Fold {fold}/{self.cv_folds}')
# Get the indices for this fold
tr_id = self.tr_dct[tr_k]
vl_id = self.vl_dct[vl_k]
te_id = self.te_dct[te_k]
# Samples from this dataset are randomly sampled for training
xtr = self.X[tr_id, :]
# ytr = self.Y[tr_id, :]
ytr = np.squeeze(self.Y[tr_id, :])
# A fixed set of val samples for the current CV split
xvl = self.X[vl_id, :]
yvl = np.squeeze(self.Y[vl_id, :])
# A fixed set of test samples for the current CV split
xte = self.X[te_id, :]
yte = np.squeeze(self.Y[te_id, :])
# Shards loop (iterate across the dataset sizes and train)
"""
np.random.seed(random_state)
idx = np.random.permutation(len(xtr))
Note that we don't shuffle the dataset another time using the commands above.
"""
idx = np.arange(len(xtr))
for i, tr_sz in enumerate(self.tr_shards):
# For each shard: train model, save best model, calc tr_scores, calc_vl_scores
if self.logger:
self.logger.info(
f'\tTrain size: {tr_sz} ({i+1}/{len(self.tr_shards)})')
# Sequentially get a subset of samples (the input dataset X must be shuffled)
xtr_sub = xtr[idx[:tr_sz], :]
# ytr_sub = np.squeeze(ytr[idx[:tr_sz], :])
ytr_sub = ytr[idx[:tr_sz]]
# Get the estimator
estimator = ml_models.get_model(self.model_name,
init_kwargs=self.init_kwargs)
model = estimator.model
# Train
# self.val_split = 0 # 0.1 # used for early stopping
#self.eval_frac = 0.1 # 0.1 # used for early stopping
#eval_samples = int(self.eval_frac * xvl.shape[0])
#eval_set = (xvl[:eval_samples, :], yvl[:eval_samples]) # we don't random sample; the same eval_set is used for early stopping
eval_set = (xvl, yvl)
if self.framework == 'lightgbm':
model, trn_outdir, runtime = self.trn_lgbm_model(
model=model,
xtr_sub=xtr_sub,
ytr_sub=ytr_sub,
fold=fold,
tr_sz=tr_sz,
eval_set=eval_set)
elif self.framework == 'sklearn':
model, trn_outdir, runtime = self.trn_sklearn_model(
model=model,
xtr_sub=xtr_sub,
ytr_sub=ytr_sub,
fold=fold,
tr_sz=tr_sz,
eval_set=None)
elif self.framework == 'keras':
model, trn_outdir, runtime = self.trn_keras_model(
model=model,
xtr_sub=xtr_sub,
ytr_sub=ytr_sub,
fold=fold,
tr_sz=tr_sz,
eval_set=eval_set)
elif self.framework == 'pytorch':
pass
else:
raise ValueError(
f'Framework {self.framework} is not supported.')
# Save plot of target distribution
plot_hist(ytr_sub,
var_name=f'Target (Train size={tr_sz})',
fit=None,
bins=100,
path=trn_outdir / 'target_hist_tr.png')
plot_hist(yvl,
var_name=f'Target (Val size={len(yvl)})',
fit=None,
bins=100,
path=trn_outdir / 'target_hist_vl.png')
plot_hist(yte,
var_name=f'Target (Test size={len(yte)})',
fit=None,
bins=100,
path=trn_outdir / 'target_hist_te.png')
# Calc preds and scores TODO: dump preds
# ... training set
y_pred, y_true = calc_preds(model,
x=xtr_sub,
y=ytr_sub,
mltype=self.mltype)
tr_scores = calc_scores(y_true=y_true,
y_pred=y_pred,
mltype=self.mltype,
metrics=None)
tr_scores['y_avg'] = np.mean(y_pred)
# ... val set
y_pred, y_true = calc_preds(model,
x=xvl,
y=yvl,
mltype=self.mltype)
vl_scores = calc_scores(y_true=y_true,
y_pred=y_pred,
mltype=self.mltype,
metrics=None)
vl_scores['y_avg'] = np.mean(y_pred)
# ... test set
y_pred, y_true = calc_preds(model,
x=xte,
y=yte,
mltype=self.mltype)
te_scores = calc_scores(y_true=y_true,
y_pred=y_pred,
mltype=self.mltype,
metrics=None)
te_scores['y_avg'] = np.mean(y_pred)
del estimator, model
# Save predictions (need to include metadata)
# TODO
pass
# Store runtime
runtime_records.append((fold, tr_sz, runtime))
# Add metadata
# tr_scores['tr_set'] = True
tr_scores['set'] = 'tr'
tr_scores['fold'] = 'fold' + str(fold)
tr_scores['tr_size'] = tr_sz
# vl_scores['tr_set'] = False
vl_scores['set'] = 'vl'
vl_scores['fold'] = 'fold' + str(fold)
vl_scores['tr_size'] = tr_sz
# te_scores['tr_set'] = False
te_scores['set'] = 'te'
te_scores['fold'] = 'fold' + str(fold)
te_scores['tr_size'] = tr_sz
# Append scores (dicts)
tr_scores_all.append(tr_scores)
vl_scores_all.append(vl_scores)
te_scores_all.append(te_scores)
# Dump intermediate scores
# TODO: test this!
scores_tmp = pd.concat([
scores_to_df([tr_scores]),
scores_to_df([vl_scores]),
scores_to_df([te_scores])
],
axis=0)
scores_tmp.to_csv(trn_outdir / ('scores_tmp.csv'), index=False)
del trn_outdir, scores_tmp
# Dump intermediate results (this is useful if the run terminates before run ends)
scores_all_df_tmp = pd.concat([
scores_to_df(tr_scores_all),
scores_to_df(vl_scores_all),
scores_to_df(te_scores_all)
],
axis=0)
scores_all_df_tmp.to_csv(
self.outdir / ('_lrn_crv_scores_cv' + str(fold) + '.csv'),
index=False)
# Scores to df
tr_scores_df = scores_to_df(tr_scores_all)
vl_scores_df = scores_to_df(vl_scores_all)
te_scores_df = scores_to_df(te_scores_all)
scores_df = pd.concat([tr_scores_df, vl_scores_df, te_scores_df],
axis=0)
# Dump final results
tr_scores_df.to_csv(self.outdir / 'tr_lrn_crv_scores.csv', index=False)
vl_scores_df.to_csv(self.outdir / 'vl_lrn_crv_scores.csv', index=False)
te_scores_df.to_csv(self.outdir / 'te_lrn_crv_scores.csv', index=False)
scores_df.to_csv(self.outdir / 'lrn_crv_scores.csv', index=False)
# Runtime df
runtime_df = pd.DataFrame.from_records(
runtime_records, columns=['fold', 'tr_sz', 'time'])
runtime_df.to_csv(self.outdir / 'runtime.csv', index=False)
# Plot learning curves
if plot:
plot_lrn_crv_all_metrics(scores_df, outdir=self.outdir)
plot_lrn_crv_all_metrics(scores_df,
outdir=self.outdir,
xtick_scale='log2',
ytick_scale='log2')
plot_runtime(runtime_df,
outdir=self.outdir,
xtick_scale='log2',
ytick_scale='log2')
return scores_df
def main(cfg):
# setting up output directories, and writing to stdout
make_dirs(cfg.stdout_dir, replace=False)
if cfg.train:
run_type = 'train'
else:
if 'weight' in cfg.prune_type.lower():
run_type = 'weight-prune'
else:
run_type = 'unit-prune'
sys.stdout = open(
'{}/stdout_{}_{}.txt'.format(cfg.stdout_dir, cfg.model_name, run_type),
'w')
print(cfg)
print('\n')
sys.stdout.flush()
# if train mode, replace the previous plot and ckpt directories; if in prune mode, use existing directories
if cfg.plot:
make_dirs(os.path.join(cfg.plot_dir, cfg.model_name),
replace=cfg.train)
if cfg.save_model:
make_dirs(os.path.join(cfg.model_dir, cfg.model_name),
replace=cfg.train)
# set random seed
if cfg.random_seed != 0:
random_seed = cfg.random_seed
else:
random_seed = random.randint(1, 100000)
random.seed(random_seed)
np.random.seed(random_seed)
torch.manual_seed(random_seed)
# set device as cuda or cpu
if cfg.use_gpu and torch.cuda.is_available():
# reproducibility using cuda
torch.cuda.manual_seed(random_seed)
cudnn.deterministic = True
cudnn.benchmark = False
device = torch.device('cuda')
else:
device = torch.device('cpu')
if cfg.use_gpu:
print('gpu option was to <True>, but no cuda device was found')
print('\n')
# datasets and dataloaders
# normalizing training and validation images to [0, 1] suffices for the purposes of our research objective
# in training, <drop_last> minibatch in an epoch set to <True> for simplicity in tracking training performance
dataset_train = MNIST(root='./data/mnist',
train=True,
download=True,
transform=transforms.Compose([transforms.ToTensor()
]),
target_transform=None)
dataloader_train = DataLoader(dataset=dataset_train,
batch_size=cfg.batch_size,
shuffle=cfg.shuffle,
num_workers=cfg.num_workers,
pin_memory=True,
drop_last=True)
dataset_val = MNIST(root='./data/mnist',
train=False,
download=True,
transform=transforms.Compose([transforms.ToTensor()]),
target_transform=None)
dataloader_val = DataLoader(dataset=dataset_val,
batch_size=100,
shuffle=False,
num_workers=cfg.num_workers,
pin_memory=True,
drop_last=False)
# automatically compute number of classes
targets = np.asarray(dataset_train.targets)
c = np.unique(targets).shape[0]
# define model
# weights initialized using Kaiming uniform (He initialization)
# number of units per hidden layer is passed in as an argument
net = Net(np.product(cfg.img_size), c, cfg.units).to(device)
criterion = nn.CrossEntropyLoss()
if cfg.train:
# training mode
if cfg.use_sgd:
optimizer = optim.SGD(params=net.parameters(),
lr=cfg.lr,
momentum=cfg.momentum,
nesterov=cfg.use_nesterov)
else:
optimizer = optim.Adam(params=net.parameters(),
lr=cfg.lr,
betas=(cfg.beta1, cfg.beta2))
# tracking training and validation stats over epochs
epochs = []
train_loss_epochs, val_loss_epochs = [], []
train_acc_epochs, val_acc_epochs = [], []
# best model is defined as model with best performing validation loss
best_loss = float('inf')
for epoch in range(cfg.epochs):
# tracking training and validation stats over a given epoch
train_loss_epoch, val_loss_epoch = [], []
train_acc_epoch, val_acc_epoch = [], []
# training set
for i, (x, y) in enumerate(dataloader_train):
x, y = x.to(device), y.to(device)
optimizer.zero_grad()
logits = net(x)
loss = criterion(logits, y)
loss.backward()
optimizer.step()
acc = calculate_acc(logits, y)
append((train_loss_epoch, loss.item()),
(train_acc_epoch, acc.item()))
# validation set
with torch.no_grad():
for i, (x, y) in enumerate(dataloader_val):
x, y = x.to(device), y.to(device)
logits = net(x)
loss = criterion(logits, y)
acc = calculate_acc(logits, y)
append((val_loss_epoch, loss.item()),
(val_acc_epoch, acc.item()))
train_loss_epoch, val_loss_epoch = get_average(
train_loss_epoch), get_average(val_loss_epoch)
train_acc_epoch, val_acc_epoch = get_average(
train_acc_epoch), get_average(val_acc_epoch)
print('train_epoch{:0=3d}_loss{:.4f}_acc{:.4f}'.format(
epoch + 1, train_loss_epoch, train_acc_epoch))
print('valid_epoch{:0=3d}_loss{:.4f}_acc{:.4f}'.format(
epoch + 1, val_loss_epoch, val_acc_epoch))
print('\n')
sys.stdout.flush()
if cfg.plot:
append((epochs, epoch + 1),
(train_loss_epochs, train_loss_epoch),
(val_loss_epochs, val_loss_epoch),
(train_acc_epochs, train_acc_epoch),
(val_acc_epochs, val_acc_epoch))
plot_line(epochs, train_loss_epochs, val_loss_epochs,
'Epoch Number', 'Loss', cfg)
plot_line(epochs, train_acc_epochs, val_acc_epochs,
'Epoch Number', 'Accuracy', cfg)
if val_loss_epoch < best_loss:
best_loss = val_loss_epoch
print('New best model at epoch {:0=3d} with val_loss {:.4f}'.
format(epoch + 1, best_loss))
print('\n')
if cfg.save_model:
# save model when validation loss improves
save_name = '{}_net_epoch{:0=3d}_val_loss{:.4f}'.format(
cfg.model_name, epoch + 1, best_loss)
torch.save(
net.state_dict(),
os.path.join(cfg.model_dir, cfg.model_name,
'{}.pth'.format(save_name)))
with open(
os.path.join(cfg.model_dir, cfg.model_name,
'{}.txt'.format(cfg.model_name)),
'w') as file:
file.write('{}.pth'.format(save_name))
else:
# pruning mode
# checks on arguments passed in
for k in cfg.sparsity:
assert 0 <= k <= 1
if cfg.use_sparse_mul:
assert cfg.to_sparse
# load model
with open(
os.path.join(cfg.model_dir, cfg.model_name,
'{}.txt'.format(cfg.model_name)), 'r') as file:
load_name = file.readline()
net.load_state_dict(
torch.load(
os.path.join(cfg.model_dir, cfg.model_name,
'{}'.format(load_name))))
net.eval()
# select pruning approach to use
if 'weight' in cfg.prune_type.lower():
prune = weight_prune
else:
prune = unit_prune
sparsities = []
val_loss_sparse, val_acc_sparse = [], []
time_sparsities = []
for k in cfg.sparsity:
val_loss_k, val_acc_k = [], []
time_k = []
# copy network so that the sparsity changes are not additive for each k
net_sparse = copy.deepcopy(net)
pruned_weights = []
# prune model, except for the last layer
for (i, p) in enumerate(net_sparse.parameters()):
if i < len(cfg.units):
original_weights = copy.deepcopy(p.data)
if cfg.plot:
# plot magnitude of original weights (for comparison to post-pruned weights)
plot_hist([
torch.abs(
original_weights.flatten()).cpu().numpy()
], ['b'], cfg.prune_type, i + 1, k,
'Non-Pruned Weight Magnitudes', 'Counts',
cfg)
prune(p.data, k)
if cfg.plot:
# plot original magnitudes of pruned weights, and magnitudes of remaining weights, separately
pruned_weights_non_zero = torch.abs(
original_weights.flatten()[p.data.flatten() != 0])
pruned_weights_zeroed = torch.abs(
original_weights.flatten()[p.data.flatten() == 0])
plot_hist([
pruned_weights_non_zero.cpu().numpy(),
pruned_weights_zeroed.cpu().numpy()
], ['g', 'r'], cfg.prune_type, i + 1, k,
'Weight Magnitudes', 'Counts', cfg)
plot_hist([pruned_weights_non_zero.cpu().numpy()],
['k'], cfg.prune_type, i + 1, k,
'Surviving Weight Magnitudes', 'Counts', cfg)
if cfg.to_sparse and i < len(cfg.units):
pruned_weights.append(p.data.to_sparse())
else:
pruned_weights.append(p.data)
with torch.no_grad():
for i, (x, y) in enumerate(dataloader_val):
x, y = x.to(device), y.to(device)
start = time.time()
logits = forward(x, pruned_weights, cfg.use_sparse_mul)
end = time.time()
loss = criterion(logits, y)
acc = calculate_acc(logits, y)
append((val_loss_k, loss.item()), (val_acc_k, acc.item()),
(time_k, end - start))
val_loss_k, val_acc_k, time_k = get_average(
val_loss_k), get_average(val_acc_k), get_average(time_k)
print('valid_{}_k{:.2f}_loss{:.4f}_acc{:.4f}'.format(
run_type, k, val_loss_k, val_acc_k))
print('valid_{}_k{:.2f}_time/minibatch{:.6f}'.format(
run_type, k, time_k))
print('\n')
sys.stdout.flush()
if cfg.plot:
append((sparsities, k), (val_loss_sparse, val_loss_k),
(val_acc_sparse, val_acc_k), (time_sparsities, time_k))
plot_line(sparsities, [], val_loss_sparse,
'Sparsity {} Prune'.format(cfg.prune_type), 'Loss',
cfg)
plot_line(sparsities, [], val_acc_sparse,
'Sparsity {} Prune'.format(cfg.prune_type),
'Accuracy', cfg)
plot_line(sparsities, [], time_sparsities,
'Sparsity {} Prune'.format(cfg.prune_type), 'Time',
cfg)
if cfg.save_model:
torch.save(
net_sparse.state_dict(),
os.path.join(
cfg.model_dir, cfg.model_name,
'{}_sparse_net_{}_val_loss{:.4f}.pth'.format(
cfg.model_name, run_type, val_loss_k)))
i, np.mean(test_data[3][i]), np.mean(test_data[2][i]),
*agent.sess.run([agent.learning_rate, agent.global_step])))
# Batch train agent
agent_data = [
train_data[0], train_data[1], train_data[2][i],
train_data[3][i]
]
agent.batch_train(agent_data)
agent.epsilon = agent.epsilon * 0.975
agent.save(name='duopolist_{}'.format(i), step=step)
for i in range(len(agents_list)):
plotting.plot_hist(
actions[i],
xticks=np.arange(len(env.action_space)),
show=False,
save_path='../plots/duopolist_{}_actions.png'.format(i))
lines_to_plot = OrderedDict([
('Competitive outcome', duopoly_outcome_comp[i]['profit']),
('Collusive outcome', duopoly_outcome_coll[i]['profit']),
('Deviation outcome', duopoly_outcome_deviate[i]['profit'])
])
plotting.plot_rewards(
avg_rewards[i],
lines=lines_to_plot,
show=False,
save_path='../plots/duopolist_{}_rewards.png'.format(i))
def run(args):
dirpath = verify_dirpath(args['dirpath'])
te_size = split_size(args['te_size'])
fea_list = args['cell_fea'] + args['drug_fea']
# Hard split
split_on = None if args['split_on'] is None else args['split_on'].upper()
cv_method = 'simple' if split_on is None else 'group'
te_method = cv_method
# TODO: this needs to be improved
mltype = 'reg' # required for the splits (stratify in case of classification)
# -----------------------------------------------
# Create (outdir and) logger
# -----------------------------------------------
outdir = create_outdir(dirpath, args)
args['outdir'] = str(outdir)
lg = Logger(outdir / 'data_splitter_logfile.log')
lg.logger.info(f'File path: {filepath}')
lg.logger.info(f'\n{pformat(args)}')
dump_dict(args, outpath=outdir / 'data_splitter_args.txt') # dump args.
# -----------------------------------------------
# Load and break data
# -----------------------------------------------
lg.logger.info('\nLoad master dataset.')
# files = list(dirpath.glob('**/*.parquet'))
files = list(dirpath.glob('./*.parquet'))
if len(files) > 0:
data = pd.read_parquet(
files[0]) # TODO: assumes that there is only one data file
lg.logger.info('data.shape {}'.format(data.shape))
# Split features and traget, and dump to file
lg.logger.info('\nSplit features and meta.')
xdata = extract_subset_fea(data, fea_list=fea_list, fea_sep='_')
meta = data.drop(columns=xdata.columns)
xdata.to_parquet(outdir / 'xdata.parquet')
meta.to_parquet(outdir / 'meta.parquet')
lg.logger.info('Total DD: {}'.format(
len([c for c in xdata.columns if 'DD_' in c])))
lg.logger.info('Total GE: {}'.format(
len([c for c in xdata.columns if 'GE_' in c])))
lg.logger.info('Unique cells: {}'.format(meta['CELL'].nunique()))
lg.logger.info('Unique drugs: {}'.format(meta['DRUG'].nunique()))
# cnt_fea(df, fea_sep='_', verbose=True, logger=lg.logger)
plot_hist(meta['AUC'],
var_name='AUC',
fit=None,
bins=100,
path=outdir / 'AUC_hist_all.png')
# -----------------------------------------------
# Generate Hold-Out split (train/val/test)
# -----------------------------------------------
""" First, we split the data into train and test. The remaining of train set is further
splitted into train and validation.
"""
lg.logger.info('\n{}'.format('-' * 50))
lg.logger.info('Split into hold-out train/val/test')
lg.logger.info('{}'.format('-' * 50))
# Note that we don't shuffle the original dataset, but rather we create a vector array of
# representative indices.
np.random.seed(args['seed'])
idx_vec = np.random.permutation(data.shape[0])
# Create splitter that splits the full dataset into tr and te
te_folds = int(1 / te_size)
te_splitter = cv_splitter(cv_method=te_method,
cv_folds=te_folds,
test_size=None,
mltype=mltype,
shuffle=False,
random_state=args['seed'])
te_grp = None if split_on is None else meta[split_on].values[idx_vec]
if is_string_dtype(te_grp): te_grp = LabelEncoder().fit_transform(te_grp)
# Split tr into tr and te
tr_id, te_id = next(te_splitter.split(idx_vec, groups=te_grp))
tr_id = idx_vec[
tr_id] # adjust the indices! we'll split the remaining tr into te and vl
te_id = idx_vec[te_id] # adjust the indices!
# Update a vector array that excludes the test indices
idx_vec_ = tr_id
del tr_id
# Define vl_size while considering the new full size of the available samples
vl_size = te_size / (1 - te_size)
cv_folds = int(1 / vl_size)
# Create splitter that splits tr into tr and vl
cv = cv_splitter(cv_method=cv_method,
cv_folds=cv_folds,
test_size=None,
mltype=mltype,
shuffle=False,
random_state=args['seed'])
cv_grp = None if split_on is None else meta[split_on].values[idx_vec_]
if is_string_dtype(cv_grp): cv_grp = LabelEncoder().fit_transform(cv_grp)
# Split tr into tr and vl
tr_id, vl_id = next(cv.split(idx_vec_, groups=cv_grp))
tr_id = idx_vec_[tr_id] # adjust the indices!
vl_id = idx_vec_[vl_id] # adjust the indices!
# Dump tr, vl, te indices
np.savetxt(outdir / '1fold_tr_id.csv',
tr_id.reshape(-1, 1),
fmt='%d',
delimiter='',
newline='\n')
np.savetxt(outdir / '1fold_vl_id.csv',
vl_id.reshape(-1, 1),
fmt='%d',
delimiter='',
newline='\n')
np.savetxt(outdir / '1fold_te_id.csv',
te_id.reshape(-1, 1),
fmt='%d',
delimiter='',
newline='\n')
lg.logger.info('Train samples {} ({:.2f}%)'.format(
len(tr_id), 100 * len(tr_id) / xdata.shape[0]))
lg.logger.info('Val samples {} ({:.2f}%)'.format(
len(vl_id), 100 * len(vl_id) / xdata.shape[0]))
lg.logger.info('Test samples {} ({:.2f}%)'.format(
len(te_id), 100 * len(te_id) / xdata.shape[0]))
# Confirm that group splits are correct (no intersection)
grp_col = 'CELL' if split_on is None else split_on
print_intersection_on_var(meta,
tr_id=tr_id,
vl_id=vl_id,
te_id=te_id,
grp_col=grp_col,
logger=lg.logger)
plot_hist(meta.loc[tr_id, 'AUC'],
var_name='AUC',
fit=None,
bins=100,
path=outdir / 'AUC_hist_train.png')
plot_hist(meta.loc[vl_id, 'AUC'],
var_name='AUC',
fit=None,
bins=100,
path=outdir / 'AUC_hist_val.png')
plot_hist(meta.loc[te_id, 'AUC'],
var_name='AUC',
fit=None,
bins=100,
path=outdir / 'AUC_hist_test.png')
plot_ytr_yvl_dist(ytr=meta.loc[tr_id, 'AUC'],
yvl=meta.loc[vl_id, 'AUC'],
title='ytr_yvl_dist',
outpath=outdir / 'ytr_yvl_dist.png')
# -----------------------------------------------
# Generate CV splits (new)
# -----------------------------------------------
""" K-fold CV split is applied with multiple values of k. For each set of splits k, the dataset is divided
into k splits, where each split results in train and val samples. In this process, we take the train samples,
and divide them into a smaller subset of train samples and test samples.
"""
lg.logger.info('\n{}'.format('-' * 50))
lg.logger.info(f"Split into multiple sets k-fold splits (multiple k's)")
lg.logger.info('{}'.format('-' * 50))
cv_folds_list = [5, 7, 10, 15, 20]
for cv_folds in cv_folds_list:
lg.logger.info(f'\n----- {cv_folds}-fold splits -----')
# Create CV splitter
cv = cv_splitter(cv_method=cv_method,
cv_folds=cv_folds,
test_size=None,
mltype=mltype,
shuffle=False,
random_state=args['seed'])
cv_grp = None if split_on is None else meta[split_on].values[idx_vec]
if is_string_dtype(cv_grp):
cv_grp = LabelEncoder().fit_transform(cv_grp)
tr_folds, vl_folds, te_folds = {}, {}, {}
# Start CV iters (this for loop generates the tr and vl splits)
for fold, (tr_id, vl_id) in enumerate(cv.split(idx_vec,
groups=cv_grp)):
lg.logger.info(f'\nFold {fold+1}')
tr_id = idx_vec[tr_id] # adjust the indices!
vl_id = idx_vec[vl_id] # adjust the indices!
# -----------------
# Store vl ids
vl_folds[fold] = vl_id.tolist()
# Update te_size to the new full size of available samples
te_size_ = len(vl_id) / len(idx_vec) / (1 -
len(vl_id) / len(idx_vec))
te_folds_split = int(1 / te_size_)
# Create splitter that splits tr into tr and te
te_splitter = cv_splitter(cv_method=te_method,
cv_folds=te_folds_split,
test_size=None,
mltype=mltype,
shuffle=False,
random_state=args['seed'])
# Update the index array
idx_vec_ = tr_id
del tr_id
te_grp = None if split_on is None else meta[split_on].values[
idx_vec_]
if is_string_dtype(te_grp):
te_grp = LabelEncoder().fit_transform(te_grp)
# Split tr into tr and te
tr_id, te_id = next(te_splitter.split(idx_vec_, groups=te_grp))
tr_id = idx_vec_[tr_id] # adjust the indices!
te_id = idx_vec_[te_id] # adjust the indices!
# Store tr and te ids
tr_folds[fold] = tr_id.tolist()
te_folds[fold] = te_id.tolist()
# -----------------
lg.logger.info('Train samples {} ({:.2f}%)'.format(
len(tr_id), 100 * len(tr_id) / xdata.shape[0]))
lg.logger.info('Val samples {} ({:.2f}%)'.format(
len(vl_id), 100 * len(vl_id) / xdata.shape[0]))
lg.logger.info('Test samples {} ({:.2f}%)'.format(
len(te_id), 100 * len(te_id) / xdata.shape[0]))
# Confirm that group splits are correct (no intersection)
grp_col = 'CELL' if split_on is None else split_on
print_intersection_on_var(meta,
tr_id=tr_id,
vl_id=vl_id,
te_id=te_id,
grp_col=grp_col,
logger=lg.logger)
# Convet to df
# from_dict takes too long --> faster described here: stackoverflow.com/questions/19736080/
# tr_folds = pd.DataFrame.from_dict(tr_folds, orient='index').T
# vl_folds = pd.DataFrame.from_dict(vl_folds, orient='index').T
tr_folds = pd.DataFrame(
dict([(k, pd.Series(v)) for k, v in tr_folds.items()]))
vl_folds = pd.DataFrame(
dict([(k, pd.Series(v)) for k, v in vl_folds.items()]))
te_folds = pd.DataFrame(
dict([(k, pd.Series(v)) for k, v in te_folds.items()]))
# Dump
tr_folds.to_csv(outdir / f'{cv_folds}fold_tr_id.csv', index=False)
vl_folds.to_csv(outdir / f'{cv_folds}fold_vl_id.csv', index=False)
te_folds.to_csv(outdir / f'{cv_folds}fold_te_id.csv', index=False)
# -----------------------------------------------
# Generate CV splits (new)
# -----------------------------------------------
"""
# TODO: consider to separate the pipeline hold-out and k-fold splits!
# Since we shuffled the dataset, we don't need to shuffle again.
# np.random.seed(args['seed'])
# idx_vec = np.random.permutation(xdata.shape[0])
idx_vec = np.array(range(xdata.shape[0]))
cv_folds_list = [1, 5, 7, 10, 15, 20]
lg.logger.info(f'\nStart CV splits ...')
for cv_folds in cv_folds_list:
lg.logger.info(f'\nCV folds: {cv_folds}')
# Create CV splitter
cv = cv_splitter(cv_method=cv_method, cv_folds=cv_folds, test_size=vl_size,
mltype=mltype, shuffle=False, random_state=args['seed'])
cv_grp = None if split_on is None else meta[split_on].values[idx_vec]
if is_string_dtype(cv_grp): cv_grp = LabelEncoder().fit_transform(cv_grp)
tr_folds, vl_folds, te_folds = {}, {}, {}
# Start CV iters (this for loop generates the tr and vl splits)
for fold, (tr_id, vl_id) in enumerate(cv.split(idx_vec, groups=cv_grp)):
lg.logger.info(f'\nFold {fold}')
tr_id = idx_vec[tr_id] # adjust the indices!
vl_id = idx_vec[vl_id] # adjust the indices!
# -----------------
# Store vl ids
vl_folds[fold] = vl_id.tolist()
# Update te_size to the new full size of available samples
if cv_folds == 1:
te_size_ = vl_size / (1 - vl_size)
else:
te_size_ = len(vl_id)/len(idx_vec) / (1 - len(vl_id)/len(idx_vec))
# Create splitter that splits tr into tr and te
te_splitter = cv_splitter(cv_method=te_method, cv_folds=1, test_size=te_size_,
mltype=mltype, shuffle=False, random_state=args['seed'])
# Update the index array
idx_vec_ = tr_id; del tr_id
te_grp = None if split_on is None else meta[split_on].values[idx_vec_]
if is_string_dtype(te_grp): te_grp = LabelEncoder().fit_transform(te_grp)
# Split tr into tr and te
tr_id, te_id = next(te_splitter.split(idx_vec_, groups=te_grp))
tr_id = idx_vec_[tr_id] # adjust the indices!
te_id = idx_vec_[te_id] # adjust the indices!
# Store tr and te ids
tr_folds[fold] = tr_id.tolist()
te_folds[fold] = te_id.tolist()
# -----------------
lg.logger.info('Train samples {} ({:.2f}%)'.format( len(tr_id), 100*len(tr_id)/xdata.shape[0] ))
lg.logger.info('Val samples {} ({:.2f}%)'.format( len(vl_id), 100*len(vl_id)/xdata.shape[0] ))
lg.logger.info('Test samples {} ({:.2f}%)'.format( len(te_id), 100*len(te_id)/xdata.shape[0] ))
# Confirm that group splits are correct
if split_on is not None:
tr_grp_unq = set(meta.loc[tr_id, split_on])
vl_grp_unq = set(meta.loc[vl_id, split_on])
te_grp_unq = set(meta.loc[te_id, split_on])
lg.logger.info(f'\tTotal group ({split_on}) intersec btw tr and vl: {len(tr_grp_unq.intersection(vl_grp_unq))}.')
lg.logger.info(f'\tTotal group ({split_on}) intersec btw tr and te: {len(tr_grp_unq.intersection(te_grp_unq))}.')
lg.logger.info(f'\tTotal group ({split_on}) intersec btw vl and te: {len(vl_grp_unq.intersection(te_grp_unq))}.')
lg.logger.info(f'\tUnique cell lines in tr: {len(tr_grp_unq)}.')
lg.logger.info(f'\tUnique cell lines in vl: {len(vl_grp_unq)}.')
lg.logger.info(f'\tUnique cell lines in te: {len(te_grp_unq)}.')
# Convet to df
# from_dict takes too long --> faster described here: stackoverflow.com/questions/19736080/
# tr_folds = pd.DataFrame.from_dict(tr_folds, orient='index').T
# vl_folds = pd.DataFrame.from_dict(vl_folds, orient='index').T
tr_folds = pd.DataFrame(dict([ (k, pd.Series(v)) for k, v in tr_folds.items() ]))
vl_folds = pd.DataFrame(dict([ (k, pd.Series(v)) for k, v in vl_folds.items() ]))
te_folds = pd.DataFrame(dict([ (k, pd.Series(v)) for k, v in te_folds.items() ]))
# Dump
tr_folds.to_csv( outdir/f'{cv_folds}fold_tr_id.csv', index=False )
vl_folds.to_csv( outdir/f'{cv_folds}fold_vl_id.csv', index=False )
te_folds.to_csv( outdir/f'{cv_folds}fold_te_id.csv', index=False )
# Plot target dist only for the 1-fold case
# TODO: consider to plot dist for all k-fold where k>1
if cv_folds==1 and fold==0:
plot_hist(meta.loc[tr_id, 'AUC'], var_name='AUC', fit=None, bins=100, path=outdir/'AUC_hist_train.png')
plot_hist(meta.loc[vl_id, 'AUC'], var_name='AUC', fit=None, bins=100, path=outdir/'AUC_hist_val.png')
plot_hist(meta.loc[te_id, 'AUC'], var_name='AUC', fit=None, bins=100, path=outdir/'AUC_hist_test.png')
plot_ytr_yvl_dist(ytr=meta.loc[tr_id, 'AUC'], yvl=meta.loc[vl_id, 'AUC'],
title='ytr_yvl_dist', outpath=outdir/'ytr_yvl_dist.png')
# pd.Series(meta.loc[tr_id, 'AUC'].values, name='ytr').to_csv(outdir/'ytr.csv')
# pd.Series(meta.loc[vl_id, 'AUC'].values, name='yvl').to_csv(outdir/'yvl.csv')
# pd.Series(meta.loc[te_id, 'AUC'].values, name='yte').to_csv(outdir/'yte.csv')
"""
# # -----------------------------------------------
# # Train-test split
# # -----------------------------------------------
# np.random.seed(SEED)
# idx_vec = np.random.permutation(xdata.shape[0])
#
# if te_method is not None:
# lg.logger.info('\nSplit train/test.')
# te_splitter = cv_splitter(cv_method=te_method, cv_folds=1, test_size=te_size,
# mltype=mltype, shuffle=False, random_state=SEED)
#
# te_grp = meta[grp_by_col].values[idx_vec] if te_method=='group' else None
# if is_string_dtype(te_grp): te_grp = LabelEncoder().fit_transform(te_grp)
#
# # Split train/test
# tr_id, te_id = next(te_splitter.split(idx_vec, groups=te_grp))
# tr_id = idx_vec[tr_id] # adjust the indices!
# te_id = idx_vec[te_id] # adjust the indices!
#
# pd.Series(tr_id).to_csv( outdir/f'tr_id.csv', index=False, header=[0] )
# pd.Series(te_id).to_csv( outdir/f'te_id.csv', index=False, header=[0] )
#
# lg.logger.info('Train: {:.1f}'.format( len(tr_id)/xdata.shape[0] ))
# lg.logger.info('Test: {:.1f}'.format( len(te_id)/xdata.shape[0] ))
#
# # Update the master idx vector for the CV splits
# idx_vec = tr_id
#
# # Plot dist of responses (TODO: this can be done to all response metrics)
# # plot_ytr_yvl_dist(ytr=tr_ydata.values, yvl=te_ydata.values,
# # title='tr and te', outpath=run_outdir/'tr_te_resp_dist.png')
#
# # Confirm that group splits are correct
# if te_method=='group' and grp_by_col is not None:
# tr_grp_unq = set(meta.loc[tr_id, grp_by_col])
# te_grp_unq = set(meta.loc[te_id, grp_by_col])
# lg.logger.info(f'\tTotal group ({grp_by_col}) intersections btw tr and te: {len(tr_grp_unq.intersection(te_grp_unq))}.')
# lg.logger.info(f'\tA few intersections : {list(tr_grp_unq.intersection(te_grp_unq))[:3]}.')
#
# # Update vl_size to effective vl_size
# vl_size = vl_size * xdata.shape[0]/len(tr_id)
#
# # Plot hist te
# pd.Series(meta.loc[te_id, 'AUC'].values, name='yte').to_csv(outdir/'yte.csv')
# plot_hist(meta.loc[te_id, 'AUC'], var_name='AUC', fit=None, bins=100, path=outdir/'AUC_hist_test.png')
#
# del tr_id, te_id
#
#
# # -----------------------------------------------
# # Generate CV splits
# # -----------------------------------------------
# cv_folds_list = [1, 5, 7, 10, 15, 20, 25]
# lg.logger.info(f'\nStart CV splits ...')
#
# for cv_folds in cv_folds_list:
# lg.logger.info(f'\nCV folds: {cv_folds}')
#
# cv = cv_splitter(cv_method=cv_method, cv_folds=cv_folds, test_size=vl_size,
# mltype=mltype, shuffle=False, random_state=SEED)
#
# cv_grp = meta[grp_by_col].values[idx_vec] if cv_method=='group' else None
# if is_string_dtype(cv_grp): cv_grp = LabelEncoder().fit_transform(cv_grp)
#
# tr_folds = {}
# vl_folds = {}
#
# # Start CV iters
# for fold, (tr_id, vl_id) in enumerate(cv.split(idx_vec, groups=cv_grp)):
# tr_id = idx_vec[tr_id] # adjust the indices!
# vl_id = idx_vec[vl_id] # adjust the indices!
#
# tr_folds[fold] = tr_id.tolist()
# vl_folds[fold] = vl_id.tolist()
#
# # Confirm that group splits are correct
# if cv_method=='group' and grp_by_col is not None:
# tr_grp_unq = set(meta.loc[tr_id, grp_by_col])
# vl_grp_unq = set(meta.loc[vl_id, grp_by_col])
# lg.logger.info(f'\tTotal group ({grp_by_col}) intersections btw tr and vl: {len(tr_grp_unq.intersection(vl_grp_unq))}.')
# lg.logger.info(f'\tUnique cell lines in tr: {len(tr_grp_unq)}.')
# lg.logger.info(f'\tUnique cell lines in vl: {len(vl_grp_unq)}.')
#
# # Convet to df
# # from_dict takes too long --> faster described here: stackoverflow.com/questions/19736080/
# # tr_folds = pd.DataFrame.from_dict(tr_folds, orient='index').T
# # vl_folds = pd.DataFrame.from_dict(vl_folds, orient='index').T
# tr_folds = pd.DataFrame(dict([ (k, pd.Series(v)) for k, v in tr_folds.items() ]))
# vl_folds = pd.DataFrame(dict([ (k, pd.Series(v)) for k, v in vl_folds.items() ]))
#
# # Dump
# tr_folds.to_csv( outdir/f'{cv_folds}fold_tr_id.csv', index=False )
# vl_folds.to_csv( outdir/f'{cv_folds}fold_vl_id.csv', index=False )
#
# # Plot target dist only for the 1-fold case
# if cv_folds==1 and fold==0:
# plot_hist(meta.loc[tr_id, 'AUC'], var_name='AUC', fit=None, bins=100, path=outdir/'AUC_hist_train.png')
# plot_hist(meta.loc[vl_id, 'AUC'], var_name='AUC', fit=None, bins=100, path=outdir/'AUC_hist_val.png')
#
# plot_ytr_yvl_dist(ytr=meta.loc[tr_id, 'AUC'], yvl=meta.loc[vl_id, 'AUC'],
# title='ytr_yvl_dist', outpath=outdir/'ytr_yvl_dist.png')
#
# pd.Series(meta.loc[tr_id, 'AUC'].values, name='ytr').to_csv(outdir/'ytr.csv')
# pd.Series(meta.loc[vl_id, 'AUC'].values, name='yvl').to_csv(outdir/'yvl.csv')
lg.kill_logger()
print('Done.')
def main(path, decil, color):
dic = unpacking_reading.read_ufs(path)
for i in range(len(dic[color])):
plotting.plot_hist(dic, decil, color, i)
