hierarchical_sage.py

import argparse

import torch
import torch.nn.functional as F
from tqdm import tqdm

import torch_geometric
import torch_geometric.transforms as T
from torch_geometric.datasets import OGB_MAG
from torch_geometric.loader import NeighborLoader
from torch_geometric.nn import HeteroConv, Linear, SAGEConv
from torch_geometric.utils import trim_to_layer

parser = argparse.ArgumentParser()
parser.add_argument('--use-sparse-tensor', action='store_true')
args = parser.parse_args()

if torch.cuda.is_available():
    device = torch.device('cuda')
elif torch_geometric.is_xpu_available():
    device = torch.device('xpu')
else:
    device = torch.device('cpu')

transforms = [T.ToUndirected(merge=True)]
if args.use_sparse_tensor:
    transforms.append(T.ToSparseTensor())
dataset = OGB_MAG(root='../../data', preprocess='metapath2vec',
                  transform=T.Compose(transforms))
data = dataset[0].to(device, 'x', 'y')


class HierarchicalHeteroGraphSage(torch.nn.Module):
    def __init__(self, edge_types, hidden_channels, out_channels, num_layers):
        super().__init__()

        self.convs = torch.nn.ModuleList()
        for _ in range(num_layers):
            conv = HeteroConv(
                {
                    edge_type: SAGEConv((-1, -1), hidden_channels)
                    for edge_type in edge_types
                }, aggr='sum')
            self.convs.append(conv)

        self.lin = Linear(hidden_channels, out_channels)

    def forward(self, x_dict, edge_index_dict, num_sampled_edges_dict,
                num_sampled_nodes_dict):

        for i, conv in enumerate(self.convs):
            x_dict, edge_index_dict, _ = trim_to_layer(
                layer=i,
                num_sampled_nodes_per_hop=num_sampled_nodes_dict,
                num_sampled_edges_per_hop=num_sampled_edges_dict,
                x=x_dict,
                edge_index=edge_index_dict,
            )

            x_dict = conv(x_dict, edge_index_dict)
            x_dict = {key: x.relu() for key, x in x_dict.items()}

        return self.lin(x_dict['paper'])


model = HierarchicalHeteroGraphSage(
    edge_types=data.edge_types,
    hidden_channels=64,
    out_channels=dataset.num_classes,
    num_layers=2,
).to(device)

optimizer = torch.optim.Adam(model.parameters(), lr=0.01)

kwargs = {'batch_size': 1024, 'num_workers': 0}
train_loader = NeighborLoader(
    data,
    num_neighbors=[10] * 2,
    shuffle=True,
    input_nodes=('paper', data['paper'].train_mask),
    **kwargs,
)

val_loader = NeighborLoader(
    data,
    num_neighbors=[10] * 2,
    shuffle=False,
    input_nodes=('paper', data['paper'].val_mask),
    **kwargs,
)


def train():
    model.train()

    total_examples = total_loss = 0
    for batch in tqdm(train_loader):
        batch = batch.to(device)
        optimizer.zero_grad()

        out = model(
            batch.x_dict,
            batch.adj_t_dict
            if args.use_sparse_tensor else batch.edge_index_dict,
            num_sampled_nodes_dict=batch.num_sampled_nodes_dict,
            num_sampled_edges_dict=batch.num_sampled_edges_dict,
        )

        batch_size = batch['paper'].batch_size
        loss = F.cross_entropy(out[:batch_size], batch['paper'].y[:batch_size])
        loss.backward()
        optimizer.step()

        total_examples += batch_size
        total_loss += float(loss) * batch_size

    return total_loss / total_examples


@torch.no_grad()
def test(loader):
    model.eval()

    total_examples = total_correct = 0
    for batch in tqdm(loader):
        batch = batch.to(device)
        out = model(
            batch.x_dict,
            batch.adj_t_dict
            if args.use_sparse_tensor else batch.edge_index_dict,
            num_sampled_nodes_dict=batch.num_sampled_nodes_dict,
            num_sampled_edges_dict=batch.num_sampled_edges_dict,
        )

        batch_size = batch['paper'].batch_size
        pred = out[:batch_size].argmax(dim=-1)
        total_examples += batch_size
        total_correct += int((pred == batch['paper'].y[:batch_size]).sum())

    return total_correct / total_examples


for epoch in range(1, 6):
    loss = train()
    val_acc = test(val_loader)
    print(f'Epoch: {epoch:02d}, Loss: {loss:.4f}, Val: {val_acc:.4f}')