""" Performance check of AutoGL model + PYG (trainer + dataset) """ import os import random import numpy as np from tqdm import tqdm os.environ["AUTOGL_BACKEND"] = "pyg" import torch import torch.nn.functional as F from torch_geometric.datasets import TUDataset from torch_geometric.data import DataLoader from autogl.module.model.pyg import AutoGIN, AutoTopkpool from autogl.datasets import utils from autogl.solver.utils import set_seed import logging logging.basicConfig(level=logging.ERROR) def test(model, loader, args): model.eval() correct = 0 for data in loader: data = data.to(args.device) output = model(data) pred = output.max(dim=1)[1] correct += pred.eq(data.y).sum().item() return correct / len(loader.dataset) def train(model, train_loader, val_loader, args): optimizer = torch.optim.Adam(model.parameters(), lr=args.lr) parameters = model.state_dict() best_acc = 0. for epoch in range(args.epoch): model.train() for data in train_loader: data = data.to(args.device) optimizer.zero_grad() output = model(data) loss = F.nll_loss(output, data.y) loss.backward() optimizer.step() val_acc = test(model, val_loader, args) if val_acc > best_acc: best_acc = val_acc parameters = model.state_dict() model.load_state_dict(parameters) return model if __name__ == '__main__': import argparse parser = argparse.ArgumentParser('pyg trainer') parser.add_argument('--device', type=str, default='cuda') parser.add_argument('--dataset', type=str, choices=['MUTAG', 'COLLAB', 'IMDBBINARY', 'IMDBMULTI', 'NCI1', 'PROTEINS', 'PTC', 'REDDITBINARY', 'REDDITMULTI5K'], default='MUTAG') parser.add_argument('--dataset_seed', type=int, default=2021) parser.add_argument('--batch_size', type=int, default=32) parser.add_argument('--repeat', type=int, default=50) parser.add_argument('--model', type=str, choices=['gin', 'topkpool'], default='gin') parser.add_argument('--lr', type=float, default=0.0001) parser.add_argument('--epoch', type=int, default=100) args = parser.parse_args() # seed = 100 dataset = TUDataset(os.path.expanduser('~/.pyg'), args.dataset) # 1. split dataset [fix split] dataids = list(range(len(dataset))) random.seed(args.dataset_seed) random.shuffle(dataids) fold = int(len(dataset) * 0.1) train_index = dataids[:fold * 8] val_index = dataids[fold * 8: fold * 9] test_index = dataids[fold * 9: ] dataset.train_index = train_index dataset.val_index = val_index dataset.test_index = test_index dataset.train_split = dataset[dataset.train_index] dataset.val_split = dataset[dataset.val_index] dataset.test_split = dataset[dataset.test_index] labels = np.array([data.y.item() for data in dataset.test_split]) train_loader = DataLoader(dataset.train_split, batch_size=args.batch_size) val_loader = DataLoader(dataset.val_split, batch_size=args.batch_size) test_loader = DataLoader(dataset.test_split, batch_size=args.batch_size) accs = [] for seed in tqdm(range(args.repeat)): set_seed(seed) if args.model == 'gin': model = AutoGIN( num_features=dataset.num_node_features, num_classes=dataset.num_classes, num_graph_features=0, init=False ).from_hyper_parameter({ # hp from model "num_layers": 5, "hidden": [64,64,64,64], "dropout": 0.5, "act": "relu", "eps": "False", "mlp_layers": 2, "neighbor_pooling_type": "sum", "graph_pooling_type": "sum" }).model elif args.model == 'topkpool': model = AutoTopkpool( num_features=dataset.num_node_features, num_classes=dataset.num_classes, num_graph_features=0, init=False ).from_hyper_parameter({ "ratio": 0.8, "dropout": 0.5, "act": "relu" }).model model.to(args.device) train(model, train_loader, val_loader, args) acc = test(model, test_loader, args) accs.append(acc) print('{:.4f} ~ {:.4f}'.format(np.mean(accs), np.std(accs)))