./examples/linkproppred/citation2/sampler.py
import argparse
from tqdm import tqdm

import torch
import torch.nn.functional as F
from torch.utils.data import DataLoader

from torch_geometric.data import NeighborSampler
from torch_geometric.nn import SAGEConv
from torch_geometric.utils import to_undirected

from ogb.linkproppred import PygLinkPropPredDataset, Evaluator

from logger import Logger


class PositiveLinkNeighborSampler(NeighborSampler):
    def __init__(self, edge_index, sizes, num_nodes=None, **kwargs):
        edge_idx = torch.arange(edge_index.size(1))
        super(PositiveLinkNeighborSampler,
              self).__init__(edge_index, sizes, edge_idx, num_nodes, **kwargs)

    def sample(self, edge_idx):
        if not isinstance(edge_idx, torch.Tensor):
            edge_idx = torch.tensor(edge_idx)
        row, col, _ = self.adj_t.coo()
        batch = torch.cat([row[edge_idx], col[edge_idx]], dim=0)
        return super(PositiveLinkNeighborSampler, self).sample(batch)


class NegativeLinkNeighborSampler(NeighborSampler):
    def __init__(self, edge_index, sizes, num_nodes=None, **kwargs):
        edge_idx = torch.arange(edge_index.size(1))
        super(NegativeLinkNeighborSampler,
              self).__init__(edge_index, sizes, edge_idx, num_nodes, **kwargs)

    def sample(self, edge_idx):
        num_nodes = self.adj_t.sparse_size(0)
        batch = torch.randint(0, num_nodes, (2 * len(edge_idx), ),
                              dtype=torch.long)
        return super(NegativeLinkNeighborSampler, self).sample(batch)


class SAGE(torch.nn.Module):
    def __init__(self, in_channels, hidden_channels, out_channels, num_layers,
                 dropout):
        super(SAGE, self).__init__()

        self.dropout = dropout
        self.num_layers = num_layers

        self.convs = torch.nn.ModuleList()
        self.convs.append(SAGEConv(in_channels, hidden_channels))
        for _ in range(num_layers - 2):
            self.convs.append(SAGEConv(hidden_channels, hidden_channels))
        self.convs.append(SAGEConv(hidden_channels, out_channels))

    def forward(self, x, adjs):
        for i, (edge_index, _, size) in enumerate(adjs):
            x_target = x[:size[1]]  # Target nodes are always placed first.
            x = self.convs[i]((x, x_target), edge_index)
            if i != self.num_layers - 1:
                x = F.relu(x)
                x = F.dropout(x, p=self.dropout, training=self.training)
        return x

    def reset_parameters(self):
        for conv in self.convs:
            conv.reset_parameters()

    def inference(self, x_all, subgraph_loader, device):
        pbar = tqdm(total=x_all.size(0) * self.num_layers)
        pbar.set_description('Evaluating')

        # Compute representations of nodes layer by layer, using *all*
        # available edges. This leads to faster computation in contrast to
        # immediately computing the final representations of each batch.
        for i in range(self.num_layers):
            xs = []
            for batch_size, n_id, adj in subgraph_loader:
                edge_index, _, size = adj.to(device)
                x = x_all[n_id].to(device)
                x_target = x[:size[1]]
                x = self.convs[i]((x, x_target), edge_index)
                if i != self.num_layers - 1:
                    x = F.relu(x)
                xs.append(x.cpu())

                pbar.update(batch_size)

            x_all = torch.cat(xs, dim=0)

        pbar.close()

        return x_all


class LinkPredictor(torch.nn.Module):
    def __init__(self, in_channels, hidden_channels, out_channels, num_layers,
                 dropout):
        super(LinkPredictor, self).__init__()

        self.lins = torch.nn.ModuleList()
        self.lins.append(torch.nn.Linear(in_channels, hidden_channels))
        for _ in range(num_layers - 2):
            self.lins.append(torch.nn.Linear(hidden_channels, hidden_channels))
        self.lins.append(torch.nn.Linear(hidden_channels, out_channels))

        self.dropout = dropout

    def reset_parameters(self):
        for lin in self.lins:
            lin.reset_parameters()

    def forward(self, x_i, x_j):
        x = x_i * x_j
        for lin in self.lins[:-1]:
            x = lin(x)
            x = F.relu(x)
            x = F.dropout(x, p=self.dropout, training=self.training)
        x = self.lins[-1](x)
        return torch.sigmoid(x)


def train(model, predictor, x, pos_loader, neg_loader, optimizer, device):
    model.train()

    pbar = tqdm(total=1000)
    pbar.set_description('Training')

    total_loss = total_examples = 0
    for i, (pos_data, neg_data) in enumerate(zip(pos_loader, neg_loader)):
        optimizer.zero_grad()

        batch_size, n_id, adjs = pos_data
        adjs = [adj.to(device) for adj in adjs]
        h = model(x[n_id], adjs)
        h_src, h_dst = h.chunk(2, dim=0)
        pos_out = predictor(h_src, h_dst)
        pos_loss = -torch.log(pos_out + 1e-15).mean()

        batch_size, n_id, adjs = neg_data
        adjs = [adj.to(device) for adj in adjs]
        h = model(x[n_id], adjs)
        h_src, h_dst = h.chunk(2, dim=0)
        neg_out = predictor(h_src, h_dst)
        neg_loss = -torch.log(1 - neg_out + 1e-15).mean()

        loss = pos_loss + neg_loss
        loss.backward()
        optimizer.step()

        num_examples = h_src.size(0)
        total_loss += loss.item() * num_examples
        total_examples += num_examples

        pbar.update(1)

        # We don't run a full epoch here since that just takes too much time.
        if (i + 1) % 1000 == 0:
            break

    pbar.close()

    return total_loss / total_examples


@torch.no_grad()
def test(model, predictor, x, subgraph_loader, split_edge, evaluator,
         batch_size, device):
    predictor.eval()

    h = model.inference(x, subgraph_loader, device).to(device)

    def test_split(split):
        source = split_edge[split]['source_node'].to(device)
        target = split_edge[split]['target_node'].to(device)
        target_neg = split_edge[split]['target_node_neg'].to(device)

        pos_preds = []
        for perm in DataLoader(range(source.size(0)), batch_size):
            src, dst = source[perm], target[perm]
            pos_preds += [predictor(h[src], h[dst]).squeeze().cpu()]
        pos_pred = torch.cat(pos_preds, dim=0)

        neg_preds = []
        source = source.view(-1, 1).repeat(1, 1000).view(-1)
        target_neg = target_neg.view(-1)
        for perm in DataLoader(range(source.size(0)), batch_size):
            src, dst_neg = source[perm], target_neg[perm]
            neg_preds += [predictor(h[src], h[dst_neg]).squeeze().cpu()]
        neg_pred = torch.cat(neg_preds, dim=0).view(-1, 1000)

        return evaluator.eval({
            'y_pred_pos': pos_pred,
            'y_pred_neg': neg_pred,
        })['mrr_list'].mean().item()

    train_mrr = test_split('eval_train')
    valid_mrr = test_split('valid')
    test_mrr = test_split('test')

    return train_mrr, valid_mrr, test_mrr


def main():
    parser = argparse.ArgumentParser(description='OGBL-Citation2 (NS)')
    parser.add_argument('--device', type=int, default=0)
    parser.add_argument('--log_steps', type=int, default=1)
    parser.add_argument('--num_workers', type=int, default=12)
    parser.add_argument('--num_layers', type=int, default=3)
    parser.add_argument('--hidden_channels', type=int, default=256)
    parser.add_argument('--dropout', type=float, default=0.0)
    parser.add_argument('--batch_size', type=int, default=512)
    parser.add_argument('--lr', type=float, default=0.0005)
    parser.add_argument('--epochs', type=int, default=150)
    parser.add_argument('--eval_steps', type=int, default=10)
    parser.add_argument('--runs', type=int, default=10)
    args = parser.parse_args()
    print(args)

    device = f'cuda:{args.device}' if torch.cuda.is_available() else 'cpu'
    device = torch.device(device)

    dataset = PygLinkPropPredDataset(name='ogbl-citation2')
    split_edge = dataset.get_edge_split()
    data = dataset[0]
    edge_index = to_undirected(data.edge_index, data.num_nodes)
    x = data.x.to(device)

    pos_loader = PositiveLinkNeighborSampler(edge_index, sizes=[15, 10, 5],
                                             num_nodes=x.size(0),
                                             batch_size=args.batch_size,
                                             shuffle=True,
                                             num_workers=args.num_workers)

    neg_loader = NegativeLinkNeighborSampler(edge_index, sizes=[15, 10, 5],
                                             num_nodes=x.size(0),
                                             batch_size=args.batch_size,
                                             shuffle=False,
                                             num_workers=args.num_workers)

    subgraph_loader = NeighborSampler(edge_index, node_idx=None, sizes=[-1],
                                      batch_size=4096, shuffle=False,
                                      num_workers=args.num_workers)

    # We randomly pick some training samples that we want to evaluate on:
    torch.manual_seed(12345)
    idx = torch.randperm(split_edge['train']['source_node'].numel())[:86596]
    split_edge['eval_train'] = {
        'source_node': split_edge['train']['source_node'][idx],
        'target_node': split_edge['train']['target_node'][idx],
        'target_node_neg': split_edge['valid']['target_node_neg'],
    }

    model = SAGE(x.size(-1), args.hidden_channels, args.hidden_channels,
                 args.num_layers, args.dropout).to(device)
    predictor = LinkPredictor(args.hidden_channels, args.hidden_channels, 1,
                              args.num_layers, args.dropout).to(device)

    evaluator = Evaluator(name='ogbl-citation2')
    logger = Logger(args.runs, args)

    for run in range(args.runs):
        model.reset_parameters()
        predictor.reset_parameters()
        optimizer = torch.optim.Adam(
            list(model.parameters()) + list(predictor.parameters()),
            lr=args.lr)
        for epoch in range(1, 1 + args.epochs):
            loss = train(model, predictor, x, pos_loader, neg_loader,
                         optimizer, device)
            print(f'Run: {run + 1:02d}, Epoch: {epoch:02d}, Loss: {loss:.4f}')

            if epoch > 49 and epoch % args.eval_steps == 0:
                result = test(model, predictor, x, subgraph_loader, split_edge,
                              evaluator, batch_size=64 * 1024, device=device)
                logger.add_result(run, result)

                train_mrr, valid_mrr, test_mrr = result
                print(f'Run: {run + 1:02d}, '
                      f'Epoch: {epoch:02d}, '
                      f'Loss: {loss:.4f}, '
                      f'Train: {train_mrr:.4f}, '
                      f'Valid: {valid_mrr:.4f}, '
                      f'Test: {test_mrr:.4f}')

        print('Neighborsampling')
        logger.print_statistics(run)
    print('Neighborsampling')
    logger.print_statistics()


if __name__ == "__main__":
    main()

