Commit ·
cbcb0be
1
Parent(s): e1f04e9
updated training and inference script
Browse files
root_gnn_dgl/scripts/inference.py
CHANGED
|
@@ -1,10 +1,10 @@
|
|
| 1 |
import sys
|
| 2 |
-
|
| 3 |
-
file_path = os.getcwd()
|
| 4 |
sys.path.append(file_path)
|
| 5 |
-
|
| 6 |
import argparse
|
| 7 |
import yaml
|
|
|
|
| 8 |
|
| 9 |
import torch
|
| 10 |
import dgl
|
|
@@ -12,26 +12,15 @@ from dgl.data import DGLDataset
|
|
| 12 |
from dgl.dataloading import GraphDataLoader
|
| 13 |
from torch.utils.data import SubsetRandomSampler, SequentialSampler
|
| 14 |
|
| 15 |
-
|
| 16 |
-
def my_error_handler(level, abort, location, msg):
|
| 17 |
-
# Log the error message to a file instead of printing
|
| 18 |
-
with open("error_log.txt", "a") as log_file:
|
| 19 |
-
log_file.write(f"Error in {location}: {msg}\n")
|
| 20 |
-
|
| 21 |
-
# Optionally, print the error message to the console
|
| 22 |
-
# print(f"Error in {location}: {msg}")
|
| 23 |
-
|
| 24 |
-
# Decide whether to abort based on the error level
|
| 25 |
-
if abort:
|
| 26 |
-
raise RuntimeError(f"Fatal error in {location}: {msg}")
|
| 27 |
-
|
| 28 |
class CustomPreBatchedDataset(DGLDataset):
|
| 29 |
-
def __init__(self, start_dataset, batch_size, mask_fn=None, drop_last=False, shuffle=False, **kwargs):
|
| 30 |
self.start_dataset = start_dataset
|
| 31 |
self.batch_size = batch_size
|
| 32 |
self.mask_fn = mask_fn or (lambda x: torch.ones(len(x), dtype=torch.bool))
|
| 33 |
self.drop_last = drop_last
|
| 34 |
self.shuffle = shuffle
|
|
|
|
|
|
|
| 35 |
super().__init__(name=start_dataset.name + '_custom_prebatched', save_dir=start_dataset.save_dir)
|
| 36 |
|
| 37 |
def process(self):
|
|
@@ -39,18 +28,29 @@ class CustomPreBatchedDataset(DGLDataset):
|
|
| 39 |
indices = torch.arange(len(self.start_dataset))[mask]
|
| 40 |
print(f"Number of elements after masking: {len(indices)}") # Debugging print
|
| 41 |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 42 |
if self.shuffle:
|
| 43 |
-
sampler = SubsetRandomSampler(
|
| 44 |
else:
|
| 45 |
-
sampler = SequentialSampler(
|
| 46 |
|
| 47 |
self.dataloader = GraphDataLoader(
|
| 48 |
-
self.start_dataset,
|
| 49 |
-
sampler=sampler,
|
| 50 |
-
batch_size=self.batch_size,
|
| 51 |
drop_last=self.drop_last
|
| 52 |
)
|
| 53 |
-
print(f"Batch size set in DataLoader: {self.batch_size}") # Debugging print
|
| 54 |
|
| 55 |
def __getitem__(self, idx):
|
| 56 |
if isinstance(idx, int):
|
|
@@ -60,7 +60,15 @@ class CustomPreBatchedDataset(DGLDataset):
|
|
| 60 |
return next(iter(dloader))
|
| 61 |
|
| 62 |
def __len__(self):
|
| 63 |
-
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 64 |
|
| 65 |
def include_config(conf):
|
| 66 |
if 'include' in conf:
|
|
@@ -76,28 +84,44 @@ def load_config(config_file):
|
|
| 76 |
return conf
|
| 77 |
|
| 78 |
def main():
|
|
|
|
| 79 |
parser = argparse.ArgumentParser()
|
| 80 |
add_arg = parser.add_argument
|
| 81 |
-
add_arg('--config', type=str, required=True)
|
| 82 |
add_arg('--target', type=str, required=True)
|
| 83 |
add_arg('--destination', type=str, default='')
|
| 84 |
add_arg('--chunkno', type=int, default=0)
|
| 85 |
add_arg('--chunks', type=int, default=1)
|
| 86 |
add_arg('--write', action='store_true')
|
| 87 |
add_arg('--ckpt', type=int, default=-1)
|
|
|
|
|
|
|
| 88 |
add_arg('--clobber', action='store_true')
|
| 89 |
add_arg('--tree', type=str, default='')
|
| 90 |
-
add_arg('--branch_name', type=str,
|
| 91 |
args = parser.parse_args()
|
| 92 |
|
| 93 |
-
config
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 94 |
if args.destination == '':
|
| 95 |
-
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 96 |
else:
|
| 97 |
-
|
| 98 |
-
if
|
| 99 |
-
|
| 100 |
|
|
|
|
| 101 |
if os.path.exists(args.destination):
|
| 102 |
print(f'File {args.destination} already exists.')
|
| 103 |
if args.clobber:
|
|
@@ -137,7 +161,7 @@ def main():
|
|
| 137 |
dset_config['args']['selections'] = []
|
| 138 |
|
| 139 |
dset_config['args']['save_dir'] = os.path.dirname(args.destination)
|
| 140 |
-
|
| 141 |
if args.tree != '':
|
| 142 |
dset_config['args']['tree_name'] = args.tree
|
| 143 |
|
|
@@ -152,9 +176,13 @@ def main():
|
|
| 152 |
|
| 153 |
batch_size = config['Training']['batch_size']
|
| 154 |
lstart = time.time()
|
| 155 |
-
loader = CustomPreBatchedDataset(
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 156 |
loader.process()
|
| 157 |
-
# loader = dataset.PreBatchedDataset(dset, batch_size, shuffle=False, drop_last=False, save_to_disk=False, chunks = 1, num_workers=0)
|
| 158 |
lend = time.time()
|
| 159 |
print('Loader finished in {:.2f} seconds'.format(lend - lstart))
|
| 160 |
sample_graph, _, _, global_sample = loader[0]
|
|
@@ -162,70 +190,64 @@ def main():
|
|
| 162 |
print('dset length =', len(dset))
|
| 163 |
print('loader length =', len(loader))
|
| 164 |
|
| 165 |
-
|
| 166 |
-
|
| 167 |
-
|
| 168 |
-
|
| 169 |
-
|
| 170 |
-
|
| 171 |
-
|
| 172 |
-
|
| 173 |
-
|
| 174 |
-
|
| 175 |
-
|
| 176 |
-
|
| 177 |
-
|
| 178 |
-
|
| 179 |
-
|
| 180 |
-
|
| 181 |
-
|
| 182 |
-
|
| 183 |
-
|
| 184 |
-
|
| 185 |
-
|
| 186 |
-
|
| 187 |
-
|
| 188 |
-
|
| 189 |
-
|
| 190 |
-
|
| 191 |
-
|
| 192 |
-
|
| 193 |
-
|
| 194 |
-
|
| 195 |
-
|
| 196 |
-
|
| 197 |
-
|
| 198 |
-
|
| 199 |
-
|
| 200 |
-
|
| 201 |
-
|
| 202 |
-
|
| 203 |
-
|
| 204 |
-
|
| 205 |
-
|
| 206 |
-
|
| 207 |
-
|
| 208 |
-
|
| 209 |
-
|
| 210 |
-
|
| 211 |
-
|
| 212 |
-
|
| 213 |
-
|
| 214 |
-
|
| 215 |
-
|
| 216 |
-
|
| 217 |
-
|
| 218 |
-
|
| 219 |
-
|
| 220 |
-
end = time.time()
|
| 221 |
-
|
| 222 |
-
print('Inference finished in {:.2f} seconds'.format(end - start))
|
| 223 |
|
| 224 |
if args.write:
|
| 225 |
-
|
| 226 |
-
ROOT.gErrorIgnoreLevel = ROOT.kFatal
|
| 227 |
-
# ROOT.gSystem.RedirectOutput("/dev/null", "w")
|
| 228 |
-
|
| 229 |
# Open the original ROOT file
|
| 230 |
infile = ROOT.TFile.Open(args.target)
|
| 231 |
tree = infile.Get(dset_config['args']['tree_name'])
|
|
@@ -236,54 +258,46 @@ def main():
|
|
| 236 |
# Create a new ROOT file to write the modified tree
|
| 237 |
outfile = ROOT.TFile.Open(args.destination, 'RECREATE')
|
| 238 |
|
| 239 |
-
# Clone the original tree
|
| 240 |
-
outtree = tree.CloneTree(0)
|
| 241 |
|
| 242 |
-
#
|
| 243 |
-
|
| 244 |
-
|
| 245 |
-
|
| 246 |
-
|
| 247 |
-
|
| 248 |
-
|
| 249 |
-
|
| 250 |
-
|
| 251 |
-
|
| 252 |
-
|
| 253 |
-
is_vector = False
|
| 254 |
-
|
| 255 |
-
# Write scores to the new branch
|
| 256 |
-
print(f'Writing {len(scores)} scores to tree')
|
| 257 |
|
|
|
|
| 258 |
for i in range(tree.GetEntries()):
|
| 259 |
tree.GetEntry(i)
|
| 260 |
-
|
| 261 |
-
if is_vector:
|
| 262 |
-
# Clear the vector
|
| 263 |
-
scores_branch_vec.clear()
|
| 264 |
-
|
| 265 |
-
# Add all elements from scores[i] to the vector
|
| 266 |
-
for value in scores[i]:
|
| 267 |
-
scores_branch_vec.push_back(float(value)) # Use push_back to add elements one by one
|
| 268 |
-
else:
|
| 269 |
-
# Fill the score branch with the current single score
|
| 270 |
-
score_branch_arr[0] = float(scores[i]) # Ensure the value is a float
|
| 271 |
|
| 272 |
-
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 273 |
outtree.Fill()
|
| 274 |
|
| 275 |
# Write the modified tree to the new file
|
| 276 |
print(f'Writing to file {args.destination}')
|
| 277 |
print(f'Input entries: {tree.GetEntries()}, Output entries: {outtree.GetEntries()}')
|
|
|
|
| 278 |
outtree.Write()
|
| 279 |
outfile.Close()
|
| 280 |
infile.Close()
|
| 281 |
else:
|
| 282 |
os.makedirs(os.path.split(args.destination)[0], exist_ok=True)
|
| 283 |
-
np.savez(args.destination, scores=
|
| 284 |
|
| 285 |
if __name__ == '__main__':
|
| 286 |
-
main()
|
| 287 |
-
|
| 288 |
-
|
| 289 |
-
|
|
|
|
| 1 |
import sys
|
| 2 |
+
file_path = "/global/cfs/projectdirs/atlas/joshua/root_gnn/root_gnn_dgl"
|
|
|
|
| 3 |
sys.path.append(file_path)
|
| 4 |
+
import os
|
| 5 |
import argparse
|
| 6 |
import yaml
|
| 7 |
+
import gc
|
| 8 |
|
| 9 |
import torch
|
| 10 |
import dgl
|
|
|
|
| 12 |
from dgl.dataloading import GraphDataLoader
|
| 13 |
from torch.utils.data import SubsetRandomSampler, SequentialSampler
|
| 14 |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 15 |
class CustomPreBatchedDataset(DGLDataset):
|
| 16 |
+
def __init__(self, start_dataset, batch_size, chunkno=0, chunks=1, mask_fn=None, drop_last=False, shuffle=False, **kwargs):
|
| 17 |
self.start_dataset = start_dataset
|
| 18 |
self.batch_size = batch_size
|
| 19 |
self.mask_fn = mask_fn or (lambda x: torch.ones(len(x), dtype=torch.bool))
|
| 20 |
self.drop_last = drop_last
|
| 21 |
self.shuffle = shuffle
|
| 22 |
+
self.chunkno = chunkno
|
| 23 |
+
self.chunks = chunks
|
| 24 |
super().__init__(name=start_dataset.name + '_custom_prebatched', save_dir=start_dataset.save_dir)
|
| 25 |
|
| 26 |
def process(self):
|
|
|
|
| 28 |
indices = torch.arange(len(self.start_dataset))[mask]
|
| 29 |
print(f"Number of elements after masking: {len(indices)}") # Debugging print
|
| 30 |
|
| 31 |
+
# --- CHUNK SPLITTING ---
|
| 32 |
+
total = len(indices)
|
| 33 |
+
if self.chunks == 1:
|
| 34 |
+
chunk_indices = indices
|
| 35 |
+
print(f"Chunks=1, using all {total} indices.")
|
| 36 |
+
else:
|
| 37 |
+
chunk_size = (total + self.chunks - 1) // self.chunks
|
| 38 |
+
start = self.chunkno * chunk_size
|
| 39 |
+
end = min((self.chunkno + 1) * chunk_size, total)
|
| 40 |
+
chunk_indices = indices[start:end]
|
| 41 |
+
print(f"Working on chunk {self.chunkno}/{self.chunks}: indices {start}:{end} (total {len(chunk_indices)})")
|
| 42 |
+
|
| 43 |
if self.shuffle:
|
| 44 |
+
sampler = SubsetRandomSampler(chunk_indices)
|
| 45 |
else:
|
| 46 |
+
sampler = SequentialSampler(chunk_indices)
|
| 47 |
|
| 48 |
self.dataloader = GraphDataLoader(
|
| 49 |
+
self.start_dataset,
|
| 50 |
+
sampler=sampler,
|
| 51 |
+
batch_size=self.batch_size,
|
| 52 |
drop_last=self.drop_last
|
| 53 |
)
|
|
|
|
| 54 |
|
| 55 |
def __getitem__(self, idx):
|
| 56 |
if isinstance(idx, int):
|
|
|
|
| 60 |
return next(iter(dloader))
|
| 61 |
|
| 62 |
def __len__(self):
|
| 63 |
+
mask = self.mask_fn(self.start_dataset)
|
| 64 |
+
indices = torch.arange(len(self.start_dataset))[mask]
|
| 65 |
+
total = len(indices)
|
| 66 |
+
if self.chunks == 1:
|
| 67 |
+
return total
|
| 68 |
+
chunk_size = (total + self.chunks - 1) // self.chunks
|
| 69 |
+
start = self.chunkno * chunk_size
|
| 70 |
+
end = min((self.chunkno + 1) * chunk_size, total)
|
| 71 |
+
return end - start
|
| 72 |
|
| 73 |
def include_config(conf):
|
| 74 |
if 'include' in conf:
|
|
|
|
| 84 |
return conf
|
| 85 |
|
| 86 |
def main():
|
| 87 |
+
|
| 88 |
parser = argparse.ArgumentParser()
|
| 89 |
add_arg = parser.add_argument
|
| 90 |
+
add_arg('--config', type=str, nargs='+', required=True, help="List of config files")
|
| 91 |
add_arg('--target', type=str, required=True)
|
| 92 |
add_arg('--destination', type=str, default='')
|
| 93 |
add_arg('--chunkno', type=int, default=0)
|
| 94 |
add_arg('--chunks', type=int, default=1)
|
| 95 |
add_arg('--write', action='store_true')
|
| 96 |
add_arg('--ckpt', type=int, default=-1)
|
| 97 |
+
add_arg('--var', type=str, default='Test_AUC')
|
| 98 |
+
add_arg('--mode', type=str, default='max')
|
| 99 |
add_arg('--clobber', action='store_true')
|
| 100 |
add_arg('--tree', type=str, default='')
|
| 101 |
+
add_arg('--branch_name', type=str, nargs='+', required=True, help="List of branch names corresponding to configs")
|
| 102 |
args = parser.parse_args()
|
| 103 |
|
| 104 |
+
if(len(args.config) != len(args.branch_name)):
|
| 105 |
+
print(f"configs and branch names do not match")
|
| 106 |
+
return
|
| 107 |
+
|
| 108 |
+
config = load_config(args.config[0])
|
| 109 |
+
|
| 110 |
+
# --- OUTPUT DESTINATION LOGIC ---
|
| 111 |
if args.destination == '':
|
| 112 |
+
base_dest = os.path.join(config['Training_Directory'], 'inference/', os.path.split(args.target)[1])
|
| 113 |
+
else:
|
| 114 |
+
base_dest = args.destination
|
| 115 |
+
|
| 116 |
+
base_dest = base_dest.replace('.root', '').replace('.npz', '')
|
| 117 |
+
if args.chunks > 1:
|
| 118 |
+
chunked_dest = f"{base_dest}_chunk{args.chunkno}"
|
| 119 |
else:
|
| 120 |
+
chunked_dest = base_dest
|
| 121 |
+
chunked_dest += '.root' if args.write else '.npz'
|
| 122 |
+
args.destination = chunked_dest
|
| 123 |
|
| 124 |
+
# --- FILE EXISTENCE CHECK ---
|
| 125 |
if os.path.exists(args.destination):
|
| 126 |
print(f'File {args.destination} already exists.')
|
| 127 |
if args.clobber:
|
|
|
|
| 161 |
dset_config['args']['selections'] = []
|
| 162 |
|
| 163 |
dset_config['args']['save_dir'] = os.path.dirname(args.destination)
|
| 164 |
+
|
| 165 |
if args.tree != '':
|
| 166 |
dset_config['args']['tree_name'] = args.tree
|
| 167 |
|
|
|
|
| 176 |
|
| 177 |
batch_size = config['Training']['batch_size']
|
| 178 |
lstart = time.time()
|
| 179 |
+
loader = CustomPreBatchedDataset(
|
| 180 |
+
dset,
|
| 181 |
+
batch_size,
|
| 182 |
+
chunkno=args.chunkno,
|
| 183 |
+
chunks=args.chunks
|
| 184 |
+
)
|
| 185 |
loader.process()
|
|
|
|
| 186 |
lend = time.time()
|
| 187 |
print('Loader finished in {:.2f} seconds'.format(lend - lstart))
|
| 188 |
sample_graph, _, _, global_sample = loader[0]
|
|
|
|
| 190 |
print('dset length =', len(dset))
|
| 191 |
print('loader length =', len(loader))
|
| 192 |
|
| 193 |
+
all_scores = {}
|
| 194 |
+
all_labels = {}
|
| 195 |
+
all_tracking = {}
|
| 196 |
+
with torch.no_grad():
|
| 197 |
+
for config_file, branch in zip(args.config, args.branch_name):
|
| 198 |
+
config = load_config(config_file)
|
| 199 |
+
model = utils.buildFromConfig(config['Model'], {'sample_graph' : sample_graph, 'sample_global': global_sample}).to(device)
|
| 200 |
+
if args.ckpt < 0:
|
| 201 |
+
ep, checkpoint = utils.get_best_epoch(config, var=args.var, mode='max', device=device)
|
| 202 |
+
else:
|
| 203 |
+
ep, checkpoint = utils.get_specific_epoch(config, args.ckpt, device=device)
|
| 204 |
+
# Remove distributed/compiled prefixes if present
|
| 205 |
+
mds_copy = {}
|
| 206 |
+
for key in checkpoint['model_state_dict'].keys():
|
| 207 |
+
newkey = key.replace('module.', '')
|
| 208 |
+
newkey = newkey.replace('_orig_mod.', '')
|
| 209 |
+
mds_copy[newkey] = checkpoint['model_state_dict'][key]
|
| 210 |
+
model.load_state_dict(mds_copy)
|
| 211 |
+
model.eval()
|
| 212 |
+
|
| 213 |
+
end = time.time()
|
| 214 |
+
print('Model and dataset finished in {:.2f} seconds'.format(end - start))
|
| 215 |
+
print('Starting inference')
|
| 216 |
+
start = time.time()
|
| 217 |
+
|
| 218 |
+
finish_fn = torch.nn.Sigmoid()
|
| 219 |
+
if 'Loss' in config:
|
| 220 |
+
finish_fn = utils.buildFromConfig(config['Loss']['finish'])
|
| 221 |
+
|
| 222 |
+
scores = []
|
| 223 |
+
labels = []
|
| 224 |
+
tracking_info = []
|
| 225 |
+
ibatch = 0
|
| 226 |
+
|
| 227 |
+
for batch, label, track, globals in loader.dataloader:
|
| 228 |
+
batch = batch.to(device)
|
| 229 |
+
pred = model(batch, globals.to(device))
|
| 230 |
+
ibatch += 1
|
| 231 |
+
if (finish_fn.__class__.__name__ == "ContrastiveClusterFinish"):
|
| 232 |
+
scores.append(pred.detach().cpu().numpy())
|
| 233 |
+
else:
|
| 234 |
+
scores.append(finish_fn(pred).detach().cpu().numpy())
|
| 235 |
+
labels.append(label.detach().cpu().numpy())
|
| 236 |
+
tracking_info.append(track.detach().cpu().numpy())
|
| 237 |
+
|
| 238 |
+
score_size = scores[0].shape[1] if len(scores[0].shape) > 1 else 1
|
| 239 |
+
scores = np.concatenate(scores)
|
| 240 |
+
labels = np.concatenate(labels)
|
| 241 |
+
tracking_info = np.concatenate(tracking_info)
|
| 242 |
+
end = time.time()
|
| 243 |
+
|
| 244 |
+
print('Inference finished in {:.2f} seconds'.format(end - start))
|
| 245 |
+
all_scores[branch] = scores
|
| 246 |
+
all_labels[branch] = labels
|
| 247 |
+
all_tracking[branch] = tracking_info
|
|
|
|
|
|
|
|
|
|
| 248 |
|
| 249 |
if args.write:
|
| 250 |
+
from ROOT import std
|
|
|
|
|
|
|
|
|
|
| 251 |
# Open the original ROOT file
|
| 252 |
infile = ROOT.TFile.Open(args.target)
|
| 253 |
tree = infile.Get(dset_config['args']['tree_name'])
|
|
|
|
| 258 |
# Create a new ROOT file to write the modified tree
|
| 259 |
outfile = ROOT.TFile.Open(args.destination, 'RECREATE')
|
| 260 |
|
| 261 |
+
# Clone the original tree structure
|
| 262 |
+
outtree = tree.CloneTree(0)
|
| 263 |
|
| 264 |
+
# Create branches for all scores
|
| 265 |
+
branch_vectors = {}
|
| 266 |
+
for branch, scores in all_scores.items():
|
| 267 |
+
if isinstance(scores[0], (list, tuple, np.ndarray)) and len(scores[0]) > 1:
|
| 268 |
+
# Create a new branch for vectors
|
| 269 |
+
branch_vectors[branch] = std.vector('float')()
|
| 270 |
+
outtree.Branch(branch, branch_vectors[branch])
|
| 271 |
+
else:
|
| 272 |
+
# Create a new branch for single floats
|
| 273 |
+
branch_vectors[branch] = array('f', [0])
|
| 274 |
+
outtree.Branch(branch, branch_vectors[branch], f'{branch}/F')
|
|
|
|
|
|
|
|
|
|
|
|
|
| 275 |
|
| 276 |
+
# Fill the tree
|
| 277 |
for i in range(tree.GetEntries()):
|
| 278 |
tree.GetEntry(i)
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 279 |
|
| 280 |
+
for branch, scores in all_scores.items():
|
| 281 |
+
branch_data = branch_vectors[branch]
|
| 282 |
+
if isinstance(branch_data, array): # Check if it's a single float array
|
| 283 |
+
branch_data[0] = float(scores[i])
|
| 284 |
+
else: # Assume it's a std::vector<float>
|
| 285 |
+
branch_data.clear()
|
| 286 |
+
for value in scores[i]:
|
| 287 |
+
branch_data.push_back(float(value))
|
| 288 |
+
|
| 289 |
outtree.Fill()
|
| 290 |
|
| 291 |
# Write the modified tree to the new file
|
| 292 |
print(f'Writing to file {args.destination}')
|
| 293 |
print(f'Input entries: {tree.GetEntries()}, Output entries: {outtree.GetEntries()}')
|
| 294 |
+
print(f'Wrote scores to {args.branch_name}')
|
| 295 |
outtree.Write()
|
| 296 |
outfile.Close()
|
| 297 |
infile.Close()
|
| 298 |
else:
|
| 299 |
os.makedirs(os.path.split(args.destination)[0], exist_ok=True)
|
| 300 |
+
np.savez(args.destination, scores=all_scores, labels=all_labels, tracking_info=all_tracking)
|
| 301 |
|
| 302 |
if __name__ == '__main__':
|
| 303 |
+
main()
|
|
|
|
|
|
|
|
|
root_gnn_dgl/scripts/prep_data.py
CHANGED
|
@@ -1,6 +1,5 @@
|
|
| 1 |
import sys
|
| 2 |
-
|
| 3 |
-
file_path = os.getcwd()
|
| 4 |
sys.path.append(file_path)
|
| 5 |
|
| 6 |
import root_gnn_base.utils as utils
|
|
@@ -15,6 +14,7 @@ def main():
|
|
| 15 |
add_arg('--dataset', type=str, required=True)
|
| 16 |
add_arg('--chunk', type=int, default=0)
|
| 17 |
add_arg('--shuffle_mode', action='store_true', help='Shuffle the dataset before training.')
|
|
|
|
| 18 |
args = parser.parse_args()
|
| 19 |
|
| 20 |
config = utils.load_config(args.config)
|
|
@@ -32,12 +32,12 @@ def main():
|
|
| 32 |
fold_conf = dset_config["folding"]
|
| 33 |
print(f"shuffle_chunks = {shuffle_chunks}, args.chunk = {args.chunk}, padding_mode = {padding_mode}")
|
| 34 |
if dset_config["class"] == "LazyMultiLabelDataset":
|
| 35 |
-
LazyPreBatchedDataset(start_dataset = dset, batch_size = batch_size, mask_fn = utils.fold_selection(fold_conf, "train"), suffix = utils.fold_selection_name(fold_conf, "train"), chunks = shuffle_chunks, chunkno = args.chunk, padding_mode = padding_mode)
|
| 36 |
-
LazyPreBatchedDataset(start_dataset = dset, batch_size = batch_size, mask_fn = utils.fold_selection(fold_conf, "test"), suffix = utils.fold_selection_name(fold_conf, 'test'), chunks = shuffle_chunks, chunkno = args.chunk, padding_mode = padding_mode)
|
| 37 |
|
| 38 |
else:
|
| 39 |
-
PreBatchedDataset(dset, batch_size, utils.fold_selection(fold_conf, "train"), suffix = utils.fold_selection_name(fold_conf, "train"), chunks = shuffle_chunks, chunkno = args.chunk, padding_mode = padding_mode)
|
| 40 |
-
PreBatchedDataset(dset, batch_size, utils.fold_selection(fold_conf, "test"), suffix = utils.fold_selection_name(fold_conf, 'test'), chunks = shuffle_chunks, chunkno = args.chunk, padding_mode = padding_mode)
|
| 41 |
|
| 42 |
if __name__ == "__main__":
|
| 43 |
main()
|
|
|
|
| 1 |
import sys
|
| 2 |
+
file_path = "/global/cfs/projectdirs/atlas/joshua/root_gnn/root_gnn_dgl"
|
|
|
|
| 3 |
sys.path.append(file_path)
|
| 4 |
|
| 5 |
import root_gnn_base.utils as utils
|
|
|
|
| 14 |
add_arg('--dataset', type=str, required=True)
|
| 15 |
add_arg('--chunk', type=int, default=0)
|
| 16 |
add_arg('--shuffle_mode', action='store_true', help='Shuffle the dataset before training.')
|
| 17 |
+
add_arg('--drop_last', action='store_false', help='Set drop_last to False if the flag is provided. Defaults to True.')
|
| 18 |
args = parser.parse_args()
|
| 19 |
|
| 20 |
config = utils.load_config(args.config)
|
|
|
|
| 32 |
fold_conf = dset_config["folding"]
|
| 33 |
print(f"shuffle_chunks = {shuffle_chunks}, args.chunk = {args.chunk}, padding_mode = {padding_mode}")
|
| 34 |
if dset_config["class"] == "LazyMultiLabelDataset":
|
| 35 |
+
LazyPreBatchedDataset(start_dataset = dset, batch_size = batch_size, mask_fn = utils.fold_selection(fold_conf, "train"), suffix = utils.fold_selection_name(fold_conf, "train"), chunks = shuffle_chunks, chunkno = args.chunk, padding_mode = padding_mode, drop_last=args.drop_last)
|
| 36 |
+
LazyPreBatchedDataset(start_dataset = dset, batch_size = batch_size, mask_fn = utils.fold_selection(fold_conf, "test"), suffix = utils.fold_selection_name(fold_conf, 'test'), chunks = shuffle_chunks, chunkno = args.chunk, padding_mode = padding_mode, drop_last=args.drop_last)
|
| 37 |
|
| 38 |
else:
|
| 39 |
+
PreBatchedDataset(dset, batch_size, utils.fold_selection(fold_conf, "train"), suffix = utils.fold_selection_name(fold_conf, "train"), chunks = shuffle_chunks, chunkno = args.chunk, padding_mode = padding_mode, drop_last=args.drop_last)
|
| 40 |
+
PreBatchedDataset(dset, batch_size, utils.fold_selection(fold_conf, "test"), suffix = utils.fold_selection_name(fold_conf, 'test'), chunks = shuffle_chunks, chunkno = args.chunk, padding_mode = padding_mode, drop_last=args.drop_last)
|
| 41 |
|
| 42 |
if __name__ == "__main__":
|
| 43 |
main()
|
root_gnn_dgl/scripts/training_script.py
CHANGED
|
@@ -11,9 +11,8 @@ import torch
|
|
| 11 |
import torch.nn as nn
|
| 12 |
|
| 13 |
import sys
|
| 14 |
-
file_path =
|
| 15 |
sys.path.append(file_path)
|
| 16 |
-
|
| 17 |
import root_gnn_base.batched_dataset as datasets
|
| 18 |
from root_gnn_base import utils
|
| 19 |
import root_gnn_base.custom_scheduler as lr_utils
|
|
@@ -29,6 +28,8 @@ import torch.multiprocessing as mp
|
|
| 29 |
from torch.utils.data.distributed import DistributedSampler
|
| 30 |
from torch.nn.parallel import DistributedDataParallel as DDP
|
| 31 |
|
|
|
|
|
|
|
| 32 |
def mem():
|
| 33 |
print(f'Current memory usage: {resource.getrusage(resource.RUSAGE_SELF).ru_maxrss / 1024 / 1024} GB')
|
| 34 |
|
|
@@ -75,9 +76,9 @@ def evaluate(val_loaders, model, config, device, epoch = -1):
|
|
| 75 |
print(f"Loaded epoch {checkpoint['epoch']} from checkpoint")
|
| 76 |
|
| 77 |
if 'Loss' not in config:
|
| 78 |
-
loss_fcn = nn.BCEWithLogitsLoss()
|
| 79 |
else:
|
| 80 |
-
loss_fcn = utils.buildFromConfig(config['Loss'])
|
| 81 |
if len(val_loaders) == 0:
|
| 82 |
return "No validation data"
|
| 83 |
start = time.time()
|
|
@@ -143,10 +144,10 @@ def train(train_loaders, test_loaders, model, device, config, args, rank):
|
|
| 143 |
restart = args.restart
|
| 144 |
# define train/val samples, loss function and optimizer
|
| 145 |
if 'Loss' not in config:
|
| 146 |
-
loss_fcn = nn.BCEWithLogitsLoss()
|
| 147 |
finish_fn = torch.nn.Sigmoid()
|
| 148 |
else:
|
| 149 |
-
loss_fcn = utils.buildFromConfig(config['Loss'])
|
| 150 |
finish_fn = utils.buildFromConfig(config['Loss']['finish'])
|
| 151 |
|
| 152 |
optimizer = torch.optim.Adam(model.parameters(), lr=config['Training']['learning_rate'])
|
|
@@ -280,11 +281,13 @@ def train(train_loaders, test_loaders, model, device, config, args, rank):
|
|
| 280 |
batch_start = time.time()
|
| 281 |
logits = torch.tensor([])
|
| 282 |
tlabels = torch.tensor([])
|
|
|
|
| 283 |
batch_lengths = []
|
| 284 |
for cycler in train_cyclers:
|
| 285 |
-
graph, label,
|
| 286 |
graph = graph.to(device)
|
| 287 |
label = label.to(device)
|
|
|
|
| 288 |
global_feats = global_feats.to(device)
|
| 289 |
if is_padded: #Padding the globals to match padded graphs.
|
| 290 |
global_feats = torch.concatenate((global_feats, torch.zeros(1, len(global_feats[0])).to(device)))
|
|
@@ -292,9 +295,11 @@ def train(train_loaders, test_loaders, model, device, config, args, rank):
|
|
| 292 |
if (len(logits) == 0):
|
| 293 |
logits = model(graph, global_feats)
|
| 294 |
tlabels = label
|
|
|
|
| 295 |
else:
|
| 296 |
logits = torch.concatenate((logits, model(graph, global_feats)), dim=0)
|
| 297 |
tlabels = torch.concatenate((tlabels, label), dim=0)
|
|
|
|
| 298 |
batch_lengths.append(logits.shape[0] - 1)
|
| 299 |
|
| 300 |
if is_padded:
|
|
@@ -307,7 +312,35 @@ def train(train_loaders, test_loaders, model, device, config, args, rank):
|
|
| 307 |
tlabels = tlabels.to(torch.float)
|
| 308 |
if loss_fcn.__class__.__name__ == 'CrossEntropyLoss':
|
| 309 |
tlabels = tlabels.to(torch.long)
|
| 310 |
-
loss = loss_fcn(logits, tlabels.to(device)) # changed logits from logits[:,0] and left labels as int for multiclass. Does this break binary? Yes.
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 311 |
optimizer.zero_grad()
|
| 312 |
loss.backward()
|
| 313 |
optimizer.step()
|
|
@@ -382,6 +415,9 @@ def train(train_loaders, test_loaders, model, device, config, args, rank):
|
|
| 382 |
|
| 383 |
wgt_mask = weights > 0
|
| 384 |
|
|
|
|
|
|
|
|
|
|
| 385 |
print(f"Num batches trained = {ibatch}")
|
| 386 |
|
| 387 |
#Note: This section is a bit ugly. Very conditional. Should maybe config defined behavior?
|
|
@@ -472,7 +508,29 @@ def train(train_loaders, test_loaders, model, device, config, args, rank):
|
|
| 472 |
print(contrastive_cluster_log_str, flush=True)
|
| 473 |
|
| 474 |
# test_loss = loss_fcn(logits, labels.to(device))
|
|
|
|
|
|
|
|
|
|
| 475 |
test_loss = loss_fcn(logits, labels)
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 476 |
end = time.time()
|
| 477 |
log_str = "Epoch {:05d} | LR {:.4e} | Loss {:.4f} | Accuracy {:.4f} | Test_Loss {:.4f} | Test_AUC {:.4f} | Time {:.4f} s".format(
|
| 478 |
epoch, optimizer.param_groups[0]['lr'], total_loss/ibatch, acc, test_loss, test_auc, end - start
|
|
@@ -664,6 +722,7 @@ def main(rank=0, args=None, world_size=1, port=24500, seed=12345):
|
|
| 664 |
|
| 665 |
load_end = time.time()
|
| 666 |
print("Load time: {:.4f} s".format(load_end - load_start))
|
|
|
|
| 667 |
model = utils.buildFromConfig(config["Model"], {'sample_graph': gsamp, 'sample_global': global_samp, 'seed': seed}).to(device)
|
| 668 |
if not args.nocompile:
|
| 669 |
model = torch.compile(model)
|
|
@@ -728,6 +787,7 @@ if __name__ == "__main__":
|
|
| 728 |
add_arg("--statistics", type=float, help="Size of training data")
|
| 729 |
add_arg("--directory", type=str, help="Append to Training Directory")
|
| 730 |
add_arg("--seed", type=int, default=2, help="Sets random seed")
|
|
|
|
| 731 |
|
| 732 |
pargs = parser.parse_args()
|
| 733 |
|
|
|
|
| 11 |
import torch.nn as nn
|
| 12 |
|
| 13 |
import sys
|
| 14 |
+
file_path = "/global/cfs/projectdirs/atlas/joshua/root_gnn/root_gnn_dgl/"
|
| 15 |
sys.path.append(file_path)
|
|
|
|
| 16 |
import root_gnn_base.batched_dataset as datasets
|
| 17 |
from root_gnn_base import utils
|
| 18 |
import root_gnn_base.custom_scheduler as lr_utils
|
|
|
|
| 28 |
from torch.utils.data.distributed import DistributedSampler
|
| 29 |
from torch.nn.parallel import DistributedDataParallel as DDP
|
| 30 |
|
| 31 |
+
print("import time: {:.4f} s".format(time.time() - start_time))
|
| 32 |
+
|
| 33 |
def mem():
|
| 34 |
print(f'Current memory usage: {resource.getrusage(resource.RUSAGE_SELF).ru_maxrss / 1024 / 1024} GB')
|
| 35 |
|
|
|
|
| 76 |
print(f"Loaded epoch {checkpoint['epoch']} from checkpoint")
|
| 77 |
|
| 78 |
if 'Loss' not in config:
|
| 79 |
+
loss_fcn = nn.BCEWithLogitsLoss(reduction='none')
|
| 80 |
else:
|
| 81 |
+
loss_fcn = utils.buildFromConfig(config['Loss'], {'reduction': 'none'})
|
| 82 |
if len(val_loaders) == 0:
|
| 83 |
return "No validation data"
|
| 84 |
start = time.time()
|
|
|
|
| 144 |
restart = args.restart
|
| 145 |
# define train/val samples, loss function and optimizer
|
| 146 |
if 'Loss' not in config:
|
| 147 |
+
loss_fcn = nn.BCEWithLogitsLoss(reduction='none')
|
| 148 |
finish_fn = torch.nn.Sigmoid()
|
| 149 |
else:
|
| 150 |
+
loss_fcn = utils.buildFromConfig(config['Loss'], {'reduction':'none'})
|
| 151 |
finish_fn = utils.buildFromConfig(config['Loss']['finish'])
|
| 152 |
|
| 153 |
optimizer = torch.optim.Adam(model.parameters(), lr=config['Training']['learning_rate'])
|
|
|
|
| 281 |
batch_start = time.time()
|
| 282 |
logits = torch.tensor([])
|
| 283 |
tlabels = torch.tensor([])
|
| 284 |
+
weights = torch.tensor([])
|
| 285 |
batch_lengths = []
|
| 286 |
for cycler in train_cyclers:
|
| 287 |
+
graph, label, track, global_feats = next(cycler)
|
| 288 |
graph = graph.to(device)
|
| 289 |
label = label.to(device)
|
| 290 |
+
track = track.to(device)
|
| 291 |
global_feats = global_feats.to(device)
|
| 292 |
if is_padded: #Padding the globals to match padded graphs.
|
| 293 |
global_feats = torch.concatenate((global_feats, torch.zeros(1, len(global_feats[0])).to(device)))
|
|
|
|
| 295 |
if (len(logits) == 0):
|
| 296 |
logits = model(graph, global_feats)
|
| 297 |
tlabels = label
|
| 298 |
+
weights = track[:,1]
|
| 299 |
else:
|
| 300 |
logits = torch.concatenate((logits, model(graph, global_feats)), dim=0)
|
| 301 |
tlabels = torch.concatenate((tlabels, label), dim=0)
|
| 302 |
+
weights = torch.concatenate((weights, track[:,1]), dim=0)
|
| 303 |
batch_lengths.append(logits.shape[0] - 1)
|
| 304 |
|
| 305 |
if is_padded:
|
|
|
|
| 312 |
tlabels = tlabels.to(torch.float)
|
| 313 |
if loss_fcn.__class__.__name__ == 'CrossEntropyLoss':
|
| 314 |
tlabels = tlabels.to(torch.long)
|
| 315 |
+
# loss = loss_fcn(logits, tlabels.to(device)) # changed logits from logits[:,0] and left labels as int for multiclass. Does this break binary? Yes.
|
| 316 |
+
# loss = torch.sum(weights * loss) / torch.sum(weights)
|
| 317 |
+
|
| 318 |
+
|
| 319 |
+
if args.abs:
|
| 320 |
+
weights = torch.abs(weights)
|
| 321 |
+
|
| 322 |
+
loss = loss_fcn(logits, tlabels.to(device))
|
| 323 |
+
# Normalize loss within each label
|
| 324 |
+
unique_labels = torch.unique(tlabels) # Get unique labels
|
| 325 |
+
normalized_loss = 0.0
|
| 326 |
+
|
| 327 |
+
for label in unique_labels:
|
| 328 |
+
# Mask for samples belonging to the current label
|
| 329 |
+
label_mask = (tlabels == label)
|
| 330 |
+
|
| 331 |
+
# Extract weights and losses for the current label
|
| 332 |
+
label_weights = weights[label_mask]
|
| 333 |
+
label_losses = loss[label_mask]
|
| 334 |
+
|
| 335 |
+
|
| 336 |
+
# Compute normalized loss for the current label
|
| 337 |
+
label_loss = torch.sum(label_weights * label_losses) / torch.sum(label_weights)
|
| 338 |
+
|
| 339 |
+
# Add to the total normalized loss
|
| 340 |
+
normalized_loss += label_loss
|
| 341 |
+
loss = normalized_loss / len(unique_labels)
|
| 342 |
+
|
| 343 |
+
|
| 344 |
optimizer.zero_grad()
|
| 345 |
loss.backward()
|
| 346 |
optimizer.step()
|
|
|
|
| 415 |
|
| 416 |
wgt_mask = weights > 0
|
| 417 |
|
| 418 |
+
if args.abs:
|
| 419 |
+
weights = torch.abs(weights)
|
| 420 |
+
|
| 421 |
print(f"Num batches trained = {ibatch}")
|
| 422 |
|
| 423 |
#Note: This section is a bit ugly. Very conditional. Should maybe config defined behavior?
|
|
|
|
| 508 |
print(contrastive_cluster_log_str, flush=True)
|
| 509 |
|
| 510 |
# test_loss = loss_fcn(logits, labels.to(device))
|
| 511 |
+
# test_loss = loss_fcn(logits, labels)
|
| 512 |
+
# test_loss = torch.sum(weights * test_loss) / torch.sum(weights)
|
| 513 |
+
|
| 514 |
test_loss = loss_fcn(logits, labels)
|
| 515 |
+
# Normalize loss within each label
|
| 516 |
+
unique_labels = torch.unique(labels) # Get unique labels
|
| 517 |
+
normalized_loss = 0.0
|
| 518 |
+
|
| 519 |
+
for label in unique_labels:
|
| 520 |
+
# Mask for samples belonging to the current label
|
| 521 |
+
label_mask = (labels == label)
|
| 522 |
+
|
| 523 |
+
# Extract weights and losses for the current label
|
| 524 |
+
label_weights = weights[label_mask]
|
| 525 |
+
label_losses = test_loss[label_mask]
|
| 526 |
+
# Compute normalized loss for the current label
|
| 527 |
+
label_loss = torch.sum(label_weights * label_losses) / torch.sum(label_weights)
|
| 528 |
+
|
| 529 |
+
# Add to the total normalized loss
|
| 530 |
+
normalized_loss += label_loss
|
| 531 |
+
test_loss = normalized_loss / len(unique_labels)
|
| 532 |
+
|
| 533 |
+
|
| 534 |
end = time.time()
|
| 535 |
log_str = "Epoch {:05d} | LR {:.4e} | Loss {:.4f} | Accuracy {:.4f} | Test_Loss {:.4f} | Test_AUC {:.4f} | Time {:.4f} s".format(
|
| 536 |
epoch, optimizer.param_groups[0]['lr'], total_loss/ibatch, acc, test_loss, test_auc, end - start
|
|
|
|
| 722 |
|
| 723 |
load_end = time.time()
|
| 724 |
print("Load time: {:.4f} s".format(load_end - load_start))
|
| 725 |
+
|
| 726 |
model = utils.buildFromConfig(config["Model"], {'sample_graph': gsamp, 'sample_global': global_samp, 'seed': seed}).to(device)
|
| 727 |
if not args.nocompile:
|
| 728 |
model = torch.compile(model)
|
|
|
|
| 787 |
add_arg("--statistics", type=float, help="Size of training data")
|
| 788 |
add_arg("--directory", type=str, help="Append to Training Directory")
|
| 789 |
add_arg("--seed", type=int, default=2, help="Sets random seed")
|
| 790 |
+
add_arg("--abs", action="store_true", help="Use abs value of per-event weight")
|
| 791 |
|
| 792 |
pargs = parser.parse_args()
|
| 793 |
|