unsupervised.py

import torch as th
import dgl
from dgl.data import GINDataset
from dgl.dataloading import GraphDataLoader

from model import InfoGraph
from evaluate_embedding import evaluate_embedding

import argparse


def argument():
    parser = argparse.ArgumentParser(description='InfoGraph')
    # data source params
    parser.add_argument('--dataname', type=str, default='MUTAG', help='Name of dataset.')

    # training params
    parser.add_argument('--gpu', type=int, default=-1, help='GPU index, default:-1, using CPU.')
    parser.add_argument('--epochs', type=int, default=20, help='Training epochs.')
    parser.add_argument('--batch_size', type=int, default=128, help='Training batch size.')
    parser.add_argument('--lr', type=float, default=0.01, help='Learning rate.')
    parser.add_argument('--log_interval', type=int, default=1, help='Interval between two evaluations.')

    # model params
    parser.add_argument('--n_layers', type=int, default=3, help='Number of graph convolution layers before each pooling.')
    parser.add_argument('--hid_dim', type=int, default=32, help='Hidden layer dimensionalities.')

    args = parser.parse_args()

    # check cuda
    if args.gpu != -1 and th.cuda.is_available():
        args.device = 'cuda:{}'.format(args.gpu)
    else:
        args.device = 'cpu'

    return args

    
def collate(samples):
    ''' collate function for building graph dataloader'''
    
    graphs, labels = map(list, zip(*samples))

    # generate batched graphs and labels
    batched_graph = dgl.batch(graphs)
    batched_labels = th.tensor(labels)

    n_graphs = len(graphs)
    graph_id = th.arange(n_graphs)
    graph_id = dgl.broadcast_nodes(batched_graph, graph_id)

    batched_graph.ndata['graph_id'] = graph_id

    return batched_graph, batched_labels


if __name__ == '__main__':

    # Step 1: Prepare graph data   ===================================== #
    args = argument()
    print(args)

    # load dataset from dgl.data.GINDataset
    dataset = GINDataset(args.dataname, self_loop = False)

    # get graphs and labels
    graphs, labels = map(list, zip(*dataset))

    # generate a full-graph with all examples for evaluation
    wholegraph = dgl.batch(graphs)
    wholegraph.ndata['attr'] = wholegraph.ndata['attr'].to(th.float32)

    # create dataloader for batch training
    dataloader = GraphDataLoader(dataset,
                                 batch_size=args.batch_size,
                                 collate_fn=collate,
                                 drop_last=False,
                                 shuffle=True)

    in_dim = wholegraph.ndata['attr'].shape[1]

    # Step 2: Create model =================================================================== #
    model = InfoGraph(in_dim, args.hid_dim, args.n_layers)
    model = model.to(args.device)

    # Step 3: Create training components ===================================================== #
    optimizer = th.optim.Adam(model.parameters(), lr=args.lr)
 
    print('===== Before training ======')
    
    wholegraph = wholegraph.to(args.device)
    wholefeat = wholegraph.ndata['attr']
    
    emb = model.get_embedding(wholegraph, wholefeat).cpu()
    res = evaluate_embedding(emb, labels, args.device)

    ''' Evaluate the initialized embeddings '''
    ''' using logistic regression and SVM(non-linear) '''
    print('logreg {:4f}, svc {:4f}'.format(res[0], res[1]))
    
    best_logreg = 0
    best_logreg_epoch = 0
    best_svc = 0
    best_svc_epoch = 0

    # Step 4: training epochs =============================================================== #
    for epoch in range(args.epochs):
        loss_all = 0
        model.train()
    
        for graph, label in dataloader:
            
            graph = graph.to(args.device)
            feat = graph.ndata['attr']
            graph_id = graph.ndata['graph_id']
            
            n_graph = label.shape[0]
    
            optimizer.zero_grad()
            loss = model(graph, feat, graph_id)
            loss.backward()
            optimizer.step()
            loss_all += loss.item()
    
        print('Epoch {}, Loss {:.4f}'.format(epoch, loss_all))
    
        if epoch % args.log_interval == 0:

            # evaluate embeddings
            model.eval()
            emb = model.get_embedding(wholegraph, wholefeat).cpu()
            res = evaluate_embedding(emb, labels, args.device)
            
            if res[0] > best_logreg:
                best_logreg = res[0]
                best_logreg_epoch = epoch

            if res[1] > best_svc:
                best_svc = res[1]
                best_svc_epoch = epoch

            print('best logreg {:4f}, epoch {} | best svc: {:4f}, epoch {}'.format(best_logreg, best_logreg_epoch, best_svc, best_svc_epoch))

    print('Training End')
    print('best logreg {:4f} ,best svc {:4f}'.format(best_logreg, best_svc))