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main.py
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main.py
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import argparse
import sys
import os
import numpy as np
import torch
import torch.nn as nn
import torch.nn.functional as F
from torch_geometric.utils import to_undirected
from torch_scatter import scatter
from logger import Logger, SimpleLogger
from dataset import load_nc_dataset
from correct_smooth import double_correlation_autoscale, double_correlation_fixed
from data_utils import normalize, gen_normalized_adjs, evaluate, eval_acc, eval_rocauc, to_sparse_tensor, load_fixed_splits
from parse import parse_method, parser_add_main_args
# NOTE: for consistent data splits, see data_utils.rand_train_test_idx
np.random.seed(0)
### Parse args ###
parser = argparse.ArgumentParser(description='General Training Pipeline')
parser_add_main_args(parser)
args = parser.parse_args()
print(args)
device = f'cuda:0' if torch.cuda.is_available() else 'cpu'
device = torch.device(device)
if args.cpu:
device = torch.device('cpu')
### Load and preprocess data ###
dataset = load_nc_dataset(args.dataset, args.sub_dataset)
if len(dataset.label.shape) == 1:
dataset.label = dataset.label.unsqueeze(1)
dataset.label = dataset.label.to(device)
# get the splits for all runs
if args.rand_split or args.dataset == 'ogbn-proteins':
split_idx_lst = [dataset.get_idx_split(train_prop=args.train_prop, valid_prop=args.valid_prop)
for _ in range(args.runs)]
else:
split_idx_lst = load_fixed_splits(args.dataset, args.sub_dataset)
if args.dataset == 'ogbn-proteins':
if args.method == 'mlp' or args.method == 'cs':
dataset.graph['node_feat'] = scatter(dataset.graph['edge_feat'], dataset.graph['edge_index'][0],
dim=0, dim_size=dataset.graph['num_nodes'], reduce='mean')
else:
dataset.graph['edge_index'] = to_sparse_tensor(dataset.graph['edge_index'],
dataset.graph['edge_feat'], dataset.graph['num_nodes'])
dataset.graph['node_feat'] = dataset.graph['edge_index'].mean(dim=1)
dataset.graph['edge_index'].set_value_(None)
dataset.graph['edge_feat'] = None
n = dataset.graph['num_nodes']
# infer the number of classes for non one-hot and one-hot labels
c = max(dataset.label.max().item() + 1, dataset.label.shape[1])
d = dataset.graph['node_feat'].shape[1]
# whether or not to symmetrize
if not args.directed and args.dataset != 'ogbn-proteins':
dataset.graph['edge_index'] = to_undirected(dataset.graph['edge_index'])
dataset.graph['edge_index'], dataset.graph['node_feat'] = \
dataset.graph['edge_index'].to(device), dataset.graph['node_feat'].to(device)
print(f"num nodes {n} | num classes {c} | num node feats {d}")
### Load method ###
model = parse_method(args, dataset, n, c, d, device)
# using rocauc as the eval function
if args.rocauc or args.dataset in ('yelp-chi', 'twitch-e', 'ogbn-proteins'):
criterion = nn.BCEWithLogitsLoss()
eval_func = eval_rocauc
else:
criterion = nn.NLLLoss()
eval_func = eval_acc
logger = Logger(args.runs, args)
if args.method == 'cs':
# for correct and smooth
cs_logger = SimpleLogger('evaluate params', [], 2)
model_path = f'{args.dataset}-{args.sub_dataset}' if args.sub_dataset else f'{args.dataset}'
model_dir = f'models/{model_path}'
print(model_dir)
if not os.path.exists(model_dir):
os.makedirs(model_dir)
DAD, AD, DA = gen_normalized_adjs(dataset)
if args.method == 'lp':
# handles label propagation separately
for alpha in (.01, .1, .25, .5, .75, .9, .99):
logger = Logger(args.runs, args)
for run in range(args.runs):
split_idx = split_idx_lst[run]
train_idx = split_idx['train']
model.alpha = alpha
out = model(dataset, train_idx)
result = evaluate(model, dataset, split_idx, eval_func, result=out)
logger.add_result(run, result[:-1])
print(f'alpha: {alpha} | Train: {100*result[0]:.2f} ' +
f'| Val: {100*result[1]:.2f} | Test: {100*result[2]:.2f}')
best_val, best_test = logger.print_statistics()
filename = f'results/{args.dataset}.csv'
print(f"Saving results to {filename}")
with open(f"{filename}", 'a+') as write_obj:
sub_dataset = f'{args.sub_dataset},' if args.sub_dataset else ''
write_obj.write(f"{args.method}," + f"{sub_dataset}" +
f"{best_val.mean():.3f} ± {best_val.std():.3f}," +
f"{best_test.mean():.3f} ± {best_test.std():.3f}\n")
sys.exit()
model.train()
print('MODEL:', model)
### Training loop ###
for run in range(args.runs):
split_idx = split_idx_lst[run]
train_idx = split_idx['train'].to(device)
model.reset_parameters()
optimizer = torch.optim.AdamW(model.parameters(), lr=args.lr, weight_decay=args.weight_decay)
best_val = float('-inf')
for epoch in range(args.epochs):
model.train()
optimizer.zero_grad()
out = model(dataset)
if args.rocauc or args.dataset in ('yelp-chi', 'twitch-e', 'ogbn-proteins'):
if dataset.label.shape[1] == 1:
true_label = F.one_hot(dataset.label, dataset.label.max() + 1).squeeze(1)
else:
true_label = dataset.label
loss = criterion(out[train_idx], true_label.squeeze(1)[
train_idx].to(torch.float))
else:
out = F.log_softmax(out, dim=1)
loss = criterion(
out[train_idx], dataset.label.squeeze(1)[train_idx])
loss.backward()
optimizer.step()
result = evaluate(model, dataset, split_idx, eval_func)
logger.add_result(run, result[:-1])
if result[1] > best_val:
best_val = result[1]
if args.dataset != 'ogbn-proteins':
best_out = F.softmax(result[-1], dim=1)
else:
best_out = result[-1]
if epoch % args.display_step == 0:
print(f'Epoch: {epoch:02d}, '
f'Loss: {loss:.4f}, '
f'Train: {100 * result[0]:.2f}%, '
f'Valid: {100 * result[1]:.2f}%, '
f'Test: {100 * result[2]:.2f}%')
if args.print_prop:
pred = out.argmax(dim=-1, keepdim=True)
print("Predicted proportions:", pred.unique(return_counts=True)[1].float()/pred.shape[0])
logger.print_statistics(run)
if args.method == 'cs':
torch.save(best_out, f'{model_dir}/{run}.pt')
_, out_cs = double_correlation_autoscale(dataset.label, best_out.cpu(),
split_idx, DAD, 0.5, 50, DAD, 0.5, 50, num_hops=args.hops)
result = evaluate(model, dataset, split_idx, eval_func, out_cs)
cs_logger.add_result(run, (), (result[1], result[2]))
### Save results ###
if args.method == 'cs':
print('Valid acc -> Test acc')
res = cs_logger.display()
best_val, best_test = res[:, 0], res[:, 1]
else:
best_val, best_test = logger.print_statistics()
filename = f'results/{args.dataset}.csv'
print(f"Saving results to {filename}")
with open(f"{filename}", 'a+') as write_obj:
sub_dataset = f'{args.sub_dataset},' if args.sub_dataset else ''
write_obj.write(f"{args.method}," + f"{sub_dataset}" +
f"{best_val.mean():.3f} ± {best_val.std():.3f}," +
f"{best_test.mean():.3f} ± {best_test.std():.3f}\n")