def evaluate(model):
model.eval()
loader = DataLoader(TEST, batch_size=BATCH_SIZE)
pred = []
target = []
for data in loader:
data = data.to(DEVICE)
predicted = torch.argmax(model(data.x, data.edge_index, data.batch),
dim=1)
for p in predicted:
pred.append(p.item())
for y in data.y:
target.append(y.item())
pred = torch.tensor(pred)
target = torch.tensor(target)
print("Accuracy: {:.2f}%".format(100 * accuracy(pred, target)))
print("True Positive: {}".format(true_positive(pred, target, 1).item()))
print("True Negative: {}".format(true_negative(pred, target, 1).item()))
print("False Positive: {}".format(false_positive(pred, target, 1).item()))
print("False Negative: {}".format(false_negative(pred, target, 1).item()))
print("Precision: {:.2f}%".format(100 * precision(pred, target, 1).item()))
print("Recall: {:.2f}%".format(100 * recall(pred, target, 1).item()))
print("F1 score: {:.2f}%".format(100 * f1_score(pred, target, 1).item()))
def test_metric():
pred = torch.tensor([0, 0, 1, 1])
target = torch.tensor([0, 1, 0, 1])
assert accuracy(pred, target) == 0.5
assert true_positive(pred, target, num_classes=2).tolist() == [1, 1]
assert true_negative(pred, target, num_classes=2).tolist() == [1, 1]
assert false_positive(pred, target, num_classes=2).tolist() == [1, 1]
assert false_negative(pred, target, num_classes=2).tolist() == [1, 1]
assert precision(pred, target, num_classes=2).tolist() == [0.5, 0.5]
assert recall(pred, target, num_classes=2).tolist() == [0.5, 0.5]
assert f1_score(pred, target, num_classes=2).tolist() == [0.5, 0.5]
def test_classifier(model, loader, device):
model.eval()
y = torch.tensor([]).long().to(device)
yp = torch.tensor([]).long().to(device)
loss_all = 0
for data in loader:
data = data.to(device)
pred, _ = model(data.x, data.edge_index, batch=data.batch)
loss = F.nll_loss(F.log_softmax(pred, dim=-1), data.y)
pred = pred.max(dim=1)[1]
y = torch.cat([y, data.y])
yp = torch.cat([yp, pred])
loss_all += data.num_graphs * loss.item()
return (accuracy(y, yp), precision(y, yp, model.num_output).mean().item(),
recall(y, yp, model.num_output).mean().item(),
f1_score(y, yp, model.num_output).mean().item(), loss_all)
cum_pred = torch.Tensor().to(device)
cum_labels = torch.Tensor().to(device)
for batch in tqdm(train_loader, desc='Training.'):
batch = batch.to(device)
optimizer.zero_grad()
out = model(batch)
labels = batch.y.to(device)
tr_loss = F.cross_entropy(out, target=labels)
loss.append(tr_loss.detach().item())
tr_loss.backward()
optimizer.step()
cum_labels = torch.cat((cum_labels, labels.clone().detach()), dim=0)
cum_pred = torch.cat((cum_pred, out.clone().detach()), dim=0)
train_precision = precision(cum_pred, cum_labels, 2)[1].item()
train_recall = recall(cum_pred, cum_labels, 2)[1].item()
train_f1 = f1_score(cum_pred, cum_labels, 2)[1].item()
roc_auc = roc_auc_score(cum_labels.cpu(), cum_pred.cpu())
loss = mean(loss)
# -------------- REPORTING ------------------------------------
model.eval()
cum_pred = torch.Tensor().to(device)
cum_labels = torch.Tensor().to(device)
te_weights = torch.Tensor().to(device)
for batch in tqdm(val_loader, desc='Evaluating.'):
batch = batch.to(device)
out = model(batch)
labels = batch.y.to(device)
