main.py

import time
from tqdm import tqdm
import numpy as np
import torch
from torch.nn import BCEWithLogitsLoss
from dgl import NID, EID
from dgl.dataloading import GraphDataLoader
from utils import parse_arguments
from utils import load_ogb_dataset, evaluate_hits
from sampler import SEALData
from model import GCN, DGCNN
from logger import LightLogging

'''
Part of the code are adapted from
https://github.com/facebookresearch/SEAL_OGB
'''


def train(model, dataloader, loss_fn, optimizer, device, num_graphs=32, total_graphs=None):
    model.train()

    total_loss = 0
    for g, labels in tqdm(dataloader, ncols=100):
        g = g.to(device)
        labels = labels.to(device)
        optimizer.zero_grad()
        logits = model(g, g.ndata['z'], g.ndata[NID], g.edata[EID])
        loss = loss_fn(logits, labels)
        loss.backward()
        optimizer.step()
        total_loss += loss.item() * num_graphs

    return total_loss / total_graphs


@torch.no_grad()
def evaluate(model, dataloader, device):
    model.eval()

    y_pred, y_true = [], []
    for g, labels in tqdm(dataloader, ncols=100):
        g = g.to(device)
        logits = model(g, g.ndata['z'], g.ndata[NID], g.edata[EID])
        y_pred.append(logits.view(-1).cpu())
        y_true.append(labels.view(-1).cpu().to(torch.float))

    y_pred, y_true = torch.cat(y_pred), torch.cat(y_true)
    pos_pred = y_pred[y_true == 1]
    neg_pred = y_pred[y_true == 0]

    return pos_pred, neg_pred


def main(args, print_fn=print):
    print_fn("Experiment arguments: {}".format(args))

    if args.random_seed:
        torch.manual_seed(args.random_seed)
    else:
        torch.manual_seed(123)
    # Load dataset
    if args.dataset.startswith('ogbl'):
        graph, split_edge = load_ogb_dataset(args.dataset)
    else:
        raise NotImplementedError

    num_nodes = graph.num_nodes()

    # set gpu
    if args.gpu_id >= 0 and torch.cuda.is_available():
        device = 'cuda:{}'.format(args.gpu_id)
    else:
        device = 'cpu'

    if args.dataset == 'ogbl-collab':
        # ogbl-collab dataset is multi-edge graph
        use_coalesce = True
    else:
        use_coalesce = False

    # Generate positive and negative edges and corresponding labels
    # Sampling subgraphs and generate node labeling features
    seal_data = SEALData(g=graph, split_edge=split_edge, hop=args.hop, neg_samples=args.neg_samples,
                         subsample_ratio=args.subsample_ratio, use_coalesce=use_coalesce, prefix=args.dataset,
                         save_dir=args.save_dir, num_workers=args.num_workers, print_fn=print_fn)
    node_attribute = seal_data.ndata['feat']
    edge_weight = seal_data.edata['edge_weight'].float()

    train_data = seal_data('train')
    val_data = seal_data('valid')
    test_data = seal_data('test')

    train_graphs = len(train_data.graph_list)

    # Set data loader

    train_loader = GraphDataLoader(train_data, batch_size=args.batch_size, num_workers=args.num_workers)
    val_loader = GraphDataLoader(val_data, batch_size=args.batch_size, num_workers=args.num_workers)
    test_loader = GraphDataLoader(test_data, batch_size=args.batch_size, num_workers=args.num_workers)

    # set model
    if args.model == 'gcn':
        model = GCN(num_layers=args.num_layers,
                    hidden_units=args.hidden_units,
                    gcn_type=args.gcn_type,
                    pooling_type=args.pooling,
                    node_attributes=node_attribute,
                    edge_weights=edge_weight,
                    node_embedding=None,
                    use_embedding=True,
                    num_nodes=num_nodes,
                    dropout=args.dropout)
    elif args.model == 'dgcnn':
        model = DGCNN(num_layers=args.num_layers,
                      hidden_units=args.hidden_units,
                      k=args.sort_k,
                      gcn_type=args.gcn_type,
                      node_attributes=node_attribute,
                      edge_weights=edge_weight,
                      node_embedding=None,
                      use_embedding=True,
                      num_nodes=num_nodes,
                      dropout=args.dropout)
    else:
        raise ValueError('Model error')

    model = model.to(device)
    parameters = model.parameters()
    optimizer = torch.optim.Adam(parameters, lr=args.lr)
    loss_fn = BCEWithLogitsLoss()
    print_fn("Total parameters: {}".format(sum([p.numel() for p in model.parameters()])))

    # train and evaluate loop
    summary_val = []
    summary_test = []
    for epoch in range(args.epochs):
        start_time = time.time()
        loss = train(model=model,
                     dataloader=train_loader,
                     loss_fn=loss_fn,
                     optimizer=optimizer,
                     device=device,
                     num_graphs=args.batch_size,
                     total_graphs=train_graphs)
        train_time = time.time()
        if epoch % args.eval_steps == 0:
            val_pos_pred, val_neg_pred = evaluate(model=model,
                                                  dataloader=val_loader,
                                                  device=device)
            test_pos_pred, test_neg_pred = evaluate(model=model,
                                                    dataloader=test_loader,
                                                    device=device)

            val_metric = evaluate_hits(args.dataset, val_pos_pred, val_neg_pred, args.hits_k)
            test_metric = evaluate_hits(args.dataset, test_pos_pred, test_neg_pred, args.hits_k)
            evaluate_time = time.time()
            print_fn("Epoch-{}, train loss: {:.4f}, hits@{}: val-{:.4f}, test-{:.4f}, "
                     "cost time: train-{:.1f}s, total-{:.1f}s".format(epoch, loss, args.hits_k, val_metric, test_metric,
                                                                      train_time - start_time,
                                                                      evaluate_time - start_time))
            summary_val.append(val_metric)
            summary_test.append(test_metric)

    summary_test = np.array(summary_test)

    print_fn("Experiment Results:")
    print_fn("Best hits@{}: {:.4f}, epoch: {}".format(args.hits_k, np.max(summary_test), np.argmax(summary_test)))


if __name__ == '__main__':
    args = parse_arguments()
    logger = LightLogging(log_name='SEAL', log_path='./logs')
    main(args, logger.info)