/examples/pytorch/graphsage/train_sampling_unsupervised.py

import dgl
import numpy as np
import torch as th
import torch.nn as nn
import torch.nn.functional as F
import torch.optim as optim
import torch.multiprocessing as mp
import dgl.function as fn
import dgl.nn.pytorch as dglnn
import time
import argparse
from dgl.data import RedditDataset
from torch.nn.parallel import DistributedDataParallel
import tqdm
import sklearn.linear_model as lm
import sklearn.metrics as skm

from utils import thread_wrapped_func

class NegativeSampler(object):
    def __init__(self, g, k, neg_share=False):
        self.weights = g.in_degrees().float() ** 0.75
        self.k = k
        self.neg_share = neg_share

    def __call__(self, g, eids):
        src, _ = g.find_edges(eids)
        n = len(src)
        if self.neg_share and n % self.k == 0:
            dst = self.weights.multinomial(n, replacement=True)
            dst = dst.view(-1, 1, self.k).expand(-1, self.k, -1).flatten()
        else:
            dst = self.weights.multinomial(n*self.k, replacement=True)
        src = src.repeat_interleave(self.k)
        return src, dst

class SAGE(nn.Module):
    def __init__(self,
                 in_feats,
                 n_hidden,
                 n_classes,
                 n_layers,
                 activation,
                 dropout):
        super().__init__()
        self.n_layers = n_layers
        self.n_hidden = n_hidden
        self.n_classes = n_classes
        self.layers = nn.ModuleList()
        self.layers.append(dglnn.SAGEConv(in_feats, n_hidden, 'mean'))
        for i in range(1, n_layers - 1):
            self.layers.append(dglnn.SAGEConv(n_hidden, n_hidden, 'mean'))
        self.layers.append(dglnn.SAGEConv(n_hidden, n_classes, 'mean'))
        self.dropout = nn.Dropout(dropout)
        self.activation = activation

    def forward(self, blocks, x):
        h = x
        for l, (layer, block) in enumerate(zip(self.layers, blocks)):
            h = layer(block, h)
            if l != len(self.layers) - 1:
                h = self.activation(h)
                h = self.dropout(h)
        return h

    def inference(self, g, x, device):
        """
        Inference with the GraphSAGE model on full neighbors (i.e. without neighbor sampling).
        g : the entire graph.
        x : the input of entire node set.

        The inference code is written in a fashion that it could handle any number of nodes and
        layers.
        """
        # During inference with sampling, multi-layer blocks are very inefficient because
        # lots of computations in the first few layers are repeated.
        # Therefore, we compute the representation of all nodes layer by layer.  The nodes
        # on each layer are of course splitted in batches.
        # TODO: can we standardize this?
        for l, layer in enumerate(self.layers):
            y = th.zeros(g.num_nodes(), self.n_hidden if l != len(self.layers) - 1 else self.n_classes)

            sampler = dgl.dataloading.MultiLayerFullNeighborSampler(1)
            dataloader = dgl.dataloading.NodeDataLoader(
                g,
                th.arange(g.num_nodes()),
                sampler,
                batch_size=args.batch_size,
                shuffle=True,
                drop_last=False,
                num_workers=args.num_workers)

            for input_nodes, output_nodes, blocks in tqdm.tqdm(dataloader):
                block = blocks[0].to(device)

                h = x[input_nodes].to(device)
                h = layer(block, h)
                if l != len(self.layers) - 1:
                    h = self.activation(h)
                    h = self.dropout(h)

                y[output_nodes] = h.cpu()

            x = y
        return y

class CrossEntropyLoss(nn.Module):
    def forward(self, block_outputs, pos_graph, neg_graph):
        with pos_graph.local_scope():
            pos_graph.ndata['h'] = block_outputs
            pos_graph.apply_edges(fn.u_dot_v('h', 'h', 'score'))
            pos_score = pos_graph.edata['score']
        with neg_graph.local_scope():
            neg_graph.ndata['h'] = block_outputs
            neg_graph.apply_edges(fn.u_dot_v('h', 'h', 'score'))
            neg_score = neg_graph.edata['score']

        score = th.cat([pos_score, neg_score])
        label = th.cat([th.ones_like(pos_score), th.zeros_like(neg_score)]).long()
        loss = F.binary_cross_entropy_with_logits(score, label.float())
        return loss

def compute_acc(emb, labels, train_nids, val_nids, test_nids):
    """
    Compute the accuracy of prediction given the labels.
    """
    emb = emb.cpu().numpy()
    labels = labels.cpu().numpy()
    train_nids = train_nids.cpu().numpy()
    train_labels = labels[train_nids]
    val_nids = val_nids.cpu().numpy()
    val_labels = labels[val_nids]
    test_nids = test_nids.cpu().numpy()
    test_labels = labels[test_nids]

    emb = (emb - emb.mean(0, keepdims=True)) / emb.std(0, keepdims=True)

    lr = lm.LogisticRegression(multi_class='multinomial', max_iter=10000)
    lr.fit(emb[train_nids], train_labels)

    pred = lr.predict(emb)
    f1_micro_eval = skm.f1_score(val_labels, pred[val_nids], average='micro')
    f1_micro_test = skm.f1_score(test_labels, pred[test_nids], average='micro')
    return f1_micro_eval, f1_micro_test

def evaluate(model, g, nfeat, labels, train_nids, val_nids, test_nids, device):
    """
    Evaluate the model on the validation set specified by ``val_mask``.
    g : The entire graph.
    inputs : The features of all the nodes.
    labels : The labels of all the nodes.
    val_mask : A 0-1 mask indicating which nodes do we actually compute the accuracy for.
    device : The GPU device to evaluate on.
    """
    model.eval()
    with th.no_grad():
        # single gpu
        if isinstance(model, SAGE):
            pred = model.inference(g, nfeat, device)
        # multi gpu
        else:
            pred = model.module.inference(g, nfeat, device)
    model.train()
    return compute_acc(pred, labels, train_nids, val_nids, test_nids)

#### Entry point
def run(proc_id, n_gpus, args, devices, data):
    # Unpack data
    device = devices[proc_id]
    if n_gpus > 1:
        dist_init_method = 'tcp://{master_ip}:{master_port}'.format(
            master_ip='127.0.0.1', master_port='12345')
        world_size = n_gpus
        th.distributed.init_process_group(backend="nccl",
                                          init_method=dist_init_method,
                                          world_size=world_size,
                                          rank=proc_id)
    train_mask, val_mask, test_mask, n_classes, g = data
    nfeat = g.ndata.pop('feat')
    labels = g.ndata.pop('label')
    in_feats = nfeat.shape[1]

    train_nid = th.LongTensor(np.nonzero(train_mask)).squeeze()
    val_nid = th.LongTensor(np.nonzero(val_mask)).squeeze()
    test_nid = th.LongTensor(np.nonzero(test_mask)).squeeze()

    # Create PyTorch DataLoader for constructing blocks
    n_edges = g.num_edges()
    train_seeds = np.arange(n_edges)
    if n_gpus > 0:
        num_per_gpu = (train_seeds.shape[0] + n_gpus -1) // n_gpus
        train_seeds = train_seeds[proc_id * num_per_gpu :
                                  (proc_id + 1) * num_per_gpu \
                                  if (proc_id + 1) * num_per_gpu < train_seeds.shape[0]
                                  else train_seeds.shape[0]]

    # Create sampler
    sampler = dgl.dataloading.MultiLayerNeighborSampler(
        [int(fanout) for fanout in args.fan_out.split(',')])
    dataloader = dgl.dataloading.EdgeDataLoader(
        g, train_seeds, sampler, exclude='reverse_id',
        # For each edge with ID e in Reddit dataset, the reverse edge is e ± |E|/2.
        reverse_eids=th.cat([
            th.arange(n_edges // 2, n_edges),
            th.arange(0, n_edges // 2)]),
        negative_sampler=NegativeSampler(g, args.num_negs),
        batch_size=args.batch_size,
        shuffle=True,
        drop_last=False,
        pin_memory=True,
        num_workers=args.num_workers)

    # Define model and optimizer
    model = SAGE(in_feats, args.num_hidden, args.num_hidden, args.num_layers, F.relu, args.dropout)
    model = model.to(device)
    if n_gpus > 1:
        model = DistributedDataParallel(model, device_ids=[device], output_device=device)
    loss_fcn = CrossEntropyLoss()
    optimizer = optim.Adam(model.parameters(), lr=args.lr)

    # Training loop
    avg = 0
    iter_pos = []
    iter_neg = []
    iter_d = []
    iter_t = []
    best_eval_acc = 0
    best_test_acc = 0
    for epoch in range(args.num_epochs):
        tic = time.time()

        # Loop over the dataloader to sample the computation dependency graph as a list of
        # blocks.

        tic_step = time.time()
        for step, (input_nodes, pos_graph, neg_graph, blocks) in enumerate(dataloader):
            batch_inputs = nfeat[input_nodes].to(device)
            d_step = time.time()

            pos_graph = pos_graph.to(device)
            neg_graph = neg_graph.to(device)
            blocks = [block.int().to(device) for block in blocks]
            # Compute loss and prediction
            batch_pred = model(blocks, batch_inputs)
            loss = loss_fcn(batch_pred, pos_graph, neg_graph)
            optimizer.zero_grad()
            loss.backward()
            optimizer.step()

            t = time.time()
            pos_edges = pos_graph.num_edges()
            neg_edges = neg_graph.num_edges()
            iter_pos.append(pos_edges / (t - tic_step))
            iter_neg.append(neg_edges / (t - tic_step))
            iter_d.append(d_step - tic_step)
            iter_t.append(t - d_step)
            if step % args.log_every == 0:
                gpu_mem_alloc = th.cuda.max_memory_allocated() / 1000000 if th.cuda.is_available() else 0
                print('[{}]Epoch {:05d} | Step {:05d} | Loss {:.4f} | Speed (samples/sec) {:.4f}|{:.4f} | Load {:.4f}| train {:.4f} | GPU {:.1f} MB'.format(
                    proc_id, epoch, step, loss.item(), np.mean(iter_pos[3:]), np.mean(iter_neg[3:]), np.mean(iter_d[3:]), np.mean(iter_t[3:]), gpu_mem_alloc))
            tic_step = time.time()

            if step % args.eval_every == 0 and proc_id == 0:
                eval_acc, test_acc = evaluate(model, g, nfeat, labels, train_nid, val_nid, test_nid, device)
                print('Eval Acc {:.4f} Test Acc {:.4f}'.format(eval_acc, test_acc))
                if eval_acc > best_eval_acc:
                    best_eval_acc = eval_acc
                    best_test_acc = test_acc
                print('Best Eval Acc {:.4f} Test Acc {:.4f}'.format(best_eval_acc, best_test_acc))
        toc = time.time()
        if proc_id == 0:
            print('Epoch Time(s): {:.4f}'.format(toc - tic))
        if epoch >= 5:
            avg += toc - tic
        if n_gpus > 1:
            th.distributed.barrier()

    if proc_id == 0:
        print('Avg epoch time: {}'.format(avg / (epoch - 4)))

def main(args, devices):
    # load reddit data
    data = RedditDataset(self_loop=False)
    n_classes = data.num_classes
    g = data[0]
    train_mask = g.ndata['train_mask']
    val_mask = g.ndata['val_mask']
    test_mask = g.ndata['test_mask']

    # Create csr/coo/csc formats before launching training processes with multi-gpu.
    # This avoids creating certain formats in each sub-process, which saves momory and CPU.
    g.create_formats_()
    # Pack data
    data = train_mask, val_mask, test_mask, n_classes, g

    n_gpus = len(devices)
    if devices[0] == -1:
        run(0, 0, args, ['cpu'], data)
    elif n_gpus == 1:
        run(0, n_gpus, args, devices, data)
    else:
        procs = []
        for proc_id in range(n_gpus):
            p = mp.Process(target=thread_wrapped_func(run),
                           args=(proc_id, n_gpus, args, devices, data))
            p.start()
            procs.append(p)
        for p in procs:
            p.join()


if __name__ == '__main__':
    argparser = argparse.ArgumentParser("multi-gpu training")
    argparser.add_argument("--gpu", type=str, default='0',
                           help="GPU, can be a list of gpus for multi-gpu trianing,"
                                " e.g., 0,1,2,3; -1 for CPU")
    argparser.add_argument('--num-epochs', type=int, default=20)
    argparser.add_argument('--num-hidden', type=int, default=16)
    argparser.add_argument('--num-layers', type=int, default=2)
    argparser.add_argument('--num-negs', type=int, default=1)
    argparser.add_argument('--neg-share', default=False, action='store_true',
                           help="sharing neg nodes for positive nodes")
    argparser.add_argument('--fan-out', type=str, default='10,25')
    argparser.add_argument('--batch-size', type=int, default=10000)
    argparser.add_argument('--log-every', type=int, default=20)
    argparser.add_argument('--eval-every', type=int, default=1000)
    argparser.add_argument('--lr', type=float, default=0.003)
    argparser.add_argument('--dropout', type=float, default=0.5)
    argparser.add_argument('--num-workers', type=int, default=0,
                           help="Number of sampling processes. Use 0 for no extra process.")
    args = argparser.parse_args()

    devices = list(map(int, args.gpu.split(',')))

    main(args, devices)