ppi_geniepath.py

import os.path as osp

import torch
from torch_geometric.datasets import PPI
from torch_geometric.data import DataLoader
from sklearn import metrics

# from model_geniepath import GeniePath as Net
from model_geniepath import GeniePathLazy as Net

path = osp.join(osp.dirname(osp.realpath(__file__)), 'data', 'PPI')
train_dataset = PPI(path, split='train')
val_dataset = PPI(path, split='test')
test_dataset = PPI(path, split='test')
train_loader = DataLoader(train_dataset, batch_size=1, shuffle=True)
val_loader = DataLoader(val_dataset, batch_size=2, shuffle=False)
test_loader = DataLoader(test_dataset, batch_size=2, shuffle=False)


device = torch.device('cuda' if torch.cuda.is_available() else 'cpu')
model = Net(train_dataset.num_features, train_dataset.num_classes, device).to(device)
loss_op = torch.nn.BCEWithLogitsLoss()
optimizer = torch.optim.Adam(model.parameters(), lr=0.005)


def train():
    model.train()

    total_loss = 0
    for data in train_loader:
        num_graphs = data.num_graphs
        data.batch = None
        data = data.to(device)
        optimizer.zero_grad()
        loss = loss_op(model(data.x, data.edge_index), data.y)
        total_loss += loss.item() * num_graphs
        loss.backward()
        optimizer.step()
    return total_loss / len(train_loader.dataset)


def test(loader):
    model.eval()

    total_micro_f1 = 0
    for data in loader:
        with torch.no_grad():
            out = model(data.x.to(device), data.edge_index.to(device))
        pred = (out > 0).float().cpu()
        micro_f1 = metrics.f1_score(data.y, pred, average='micro')
        total_micro_f1 += micro_f1 * data.num_graphs
    return total_micro_f1 / len(loader.dataset)


for epoch in range(1, 101):
    loss = train()
    acc = test(val_loader)
    print('Epoch: {:02d}, Loss: {:.4f}, Acc: {:.4f}'.format(epoch, loss, acc))