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seal_link_pred.py
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from timeit import default_timer
import numpy as np
import networkx as nx
import torch
import shutil
import argparse
import time
import os
import sys
import os.path as osp
from shutil import copy
import copy as cp
import torch_geometric.utils
from torch_geometric import seed_everything
from networkx import Graph
from torch_geometric.loader import DataLoader
from torch_geometric.nn import GCNConv, SAGEConv
from torch_geometric.profile import profileit, timeit
from tqdm import tqdm
import pdb
from sklearn.metrics import roc_auc_score, average_precision_score
import scipy.sparse as ssp
from torch.nn import BCEWithLogitsLoss
from torch_sparse import coalesce, SparseTensor
from torch_geometric.datasets import Planetoid, AttributedGraphDataset
from torch_geometric.data import Dataset, InMemoryDataset, Data
from torch_geometric.utils import to_undirected
from torch_geometric import transforms as T
from ogb.linkproppred import PygLinkPropPredDataset, Evaluator
import warnings
from scipy.sparse import SparseEfficiencyWarning
from baselines.gnn_link_pred import train_gnn
from baselines.mf import train_mf
from baselines.n2v import run_n2v
from custom_losses import auc_loss, hinge_auc_loss
from data_utils import load_splitted_data, read_label, read_edges
from models import SAGE, DGCNN, GCN, GIN
from ogbl_baselines.gnn_link_pred import train_gae_ogbl
from ogbl_baselines.mf import train_mf_ogbl
from ogbl_baselines.mlp_on_n2v import train_n2v_emb
from ogbl_baselines.n2v import run_and_save_n2v
from profiler_utils import profile_helper
from utils import get_pos_neg_edges, extract_enclosing_subgraphs, construct_pyg_graph, k_hop_subgraph, do_edge_split, \
Logger, AA, CN, PPR, calc_ratio_helper, do_seal_edge_split
warnings.simplefilter('ignore', SparseEfficiencyWarning)
warnings.simplefilter('ignore', FutureWarning)
warnings.simplefilter('ignore', UserWarning)
class SEALDataset(InMemoryDataset):
def __init__(self, root, data, split_edge, num_hops, percent=100, split='train',
use_coalesce=False, node_label='drnl', ratio_per_hop=1.0,
max_nodes_per_hop=None, directed=False, rw_kwargs=None, device='cpu', pairwise=False,
pos_pairwise=False, neg_ratio=1):
self.data = data
self.split_edge = split_edge
self.num_hops = num_hops
self.percent = int(percent) if percent >= 1.0 else percent
self.split = split
self.use_coalesce = use_coalesce
self.node_label = node_label
self.ratio_per_hop = ratio_per_hop
self.max_nodes_per_hop = max_nodes_per_hop
self.directed = directed
self.device = device
self.N = self.data.num_nodes
self.E = self.data.edge_index.size()[-1]
self.sparse_adj = SparseTensor(
row=self.data.edge_index[0].to(self.device), col=self.data.edge_index[1].to(self.device),
value=torch.arange(self.E, device=self.device),
sparse_sizes=(self.N, self.N))
self.rw_kwargs = rw_kwargs
self.pairwise = pairwise
self.pos_pairwise = pos_pairwise
self.neg_ratio = neg_ratio
super(SEALDataset, self).__init__(root)
if not self.rw_kwargs.get('calc_ratio', False):
self.data, self.slices = torch.load(self.processed_paths[0])
@property
def processed_file_names(self):
if self.percent == 100:
name = 'SEAL_{}_data'.format(self.split)
else:
name = 'SEAL_{}_data_{}'.format(self.split, self.percent)
name += '.pt'
return [name]
def process(self):
pos_edge, neg_edge = get_pos_neg_edges(self.split, self.split_edge,
self.data.edge_index,
self.data.num_nodes,
self.percent, neg_ratio=self.neg_ratio)
if self.use_coalesce: # compress mutli-edge into edge with weight
self.data.edge_index, self.data.edge_weight = coalesce(
self.data.edge_index, self.data.edge_weight,
self.data.num_nodes, self.data.num_nodes)
if 'edge_weight' in self.data:
edge_weight = self.data.edge_weight.view(-1)
else:
edge_weight = torch.ones(self.data.edge_index.size(1), dtype=int)
A = ssp.csr_matrix(
(edge_weight, (self.data.edge_index[0], self.data.edge_index[1])),
shape=(self.data.num_nodes, self.data.num_nodes)
)
if self.directed:
A_csc = A.tocsc()
else:
A_csc = None
# Extract enclosing subgraphs for pos and neg edges
rw_kwargs = {
"rw_m": self.rw_kwargs.get('m'),
"rw_M": self.rw_kwargs.get('M'),
"sparse_adj": self.sparse_adj,
"edge_index": self.data.edge_index,
"device": self.device,
"data": self.data,
}
if self.rw_kwargs.get('calc_ratio', False):
print(f"Calculating preprocessing stats for {self.split}")
calc_ratio_helper(pos_edge, neg_edge, A, self.data.x, -1, self.num_hops, self.node_label,
self.ratio_per_hop, self.max_nodes_per_hop, self.directed, A_csc, rw_kwargs, self.split,
args.dataset, args.seed)
exit()
if not self.pairwise:
print("Setting up Positive Subgraphs")
pos_list = extract_enclosing_subgraphs(
pos_edge, A, self.data.x, 1, self.num_hops, self.node_label,
self.ratio_per_hop, self.max_nodes_per_hop, self.directed, A_csc, rw_kwargs)
print("Setting up Negative Subgraphs")
neg_list = extract_enclosing_subgraphs(
neg_edge, A, self.data.x, 0, self.num_hops, self.node_label,
self.ratio_per_hop, self.max_nodes_per_hop, self.directed, A_csc, rw_kwargs)
torch.save(self.collate(pos_list + neg_list), self.processed_paths[0])
del pos_list, neg_list
else:
if self.pos_pairwise:
pos_list = extract_enclosing_subgraphs(
pos_edge, A, self.data.x, 1, self.num_hops, self.node_label,
self.ratio_per_hop, self.max_nodes_per_hop, self.directed, A_csc, rw_kwargs)
torch.save(self.collate(pos_list), self.processed_paths[0])
del pos_list
else:
neg_list = extract_enclosing_subgraphs(
neg_edge, A, self.data.x, 0, self.num_hops, self.node_label,
self.ratio_per_hop, self.max_nodes_per_hop, self.directed, A_csc, rw_kwargs)
torch.save(self.collate(neg_list), self.processed_paths[0])
del neg_list
class SEALDynamicDataset(Dataset):
def __init__(self, root, data, split_edge, num_hops, percent=100, split='train',
use_coalesce=False, node_label='drnl', ratio_per_hop=1.0,
max_nodes_per_hop=None, directed=False, rw_kwargs=None, device='cpu', pairwise=False,
pos_pairwise=False, neg_ratio=1, **kwargs):
self.data = data
self.split_edge = split_edge
self.num_hops = num_hops
self.percent = percent
self.use_coalesce = use_coalesce
self.node_label = node_label
self.ratio_per_hop = ratio_per_hop
self.max_nodes_per_hop = max_nodes_per_hop
self.directed = directed
self.rw_kwargs = rw_kwargs
self.device = device
self.N = self.data.num_nodes
self.E = self.data.edge_index.size()[-1]
self.sparse_adj = SparseTensor(
row=self.data.edge_index[0].to(self.device), col=self.data.edge_index[1].to(self.device),
value=torch.arange(self.E, device=self.device),
sparse_sizes=(self.N, self.N))
self.pairwise = pairwise
self.pos_pairwise = pos_pairwise
self.neg_ratio = neg_ratio
super(SEALDynamicDataset, self).__init__(root)
pos_edge, neg_edge = get_pos_neg_edges(split, self.split_edge,
self.data.edge_index,
self.data.num_nodes,
self.percent, neg_ratio=self.neg_ratio)
if self.pairwise:
if self.pos_pairwise:
self.links = pos_edge.t().tolist()
self.labels = [1] * pos_edge.size(1)
else:
self.links = neg_edge.t().tolist()
self.labels = [0] * neg_edge.size(1)
else:
self.links = torch.cat([pos_edge, neg_edge], 1).t().tolist()
self.labels = [1] * pos_edge.size(1) + [0] * neg_edge.size(1)
if self.use_coalesce: # compress mutli-edge into edge with weight
self.data.edge_index, self.data.edge_weight = coalesce(
self.data.edge_index, self.data.edge_weight,
self.data.num_nodes, self.data.num_nodes)
if 'edge_weight' in self.data:
edge_weight = self.data.edge_weight.view(-1)
else:
edge_weight = torch.ones(self.data.edge_index.size(1), dtype=int)
self.A = ssp.csr_matrix(
(edge_weight, (self.data.edge_index[0], self.data.edge_index[1])),
shape=(self.data.num_nodes, self.data.num_nodes)
)
if self.directed:
self.A_csc = self.A.tocsc()
else:
self.A_csc = None
self.unique_nodes = {}
if self.rw_kwargs.get('M'):
print("Start caching random walk unique nodes")
# if in dynamic SWEAL mode, need to cache the unique nodes of random walks before get() due to below error
# RuntimeError: Cannot re-initialize CUDA in forked subprocess.
# To use CUDA with multiprocessing, you must use the 'spawn' start method
for link in self.links:
rw_M = self.rw_kwargs.get('M')
starting_nodes = []
[starting_nodes.extend(link) for _ in range(rw_M)]
start = torch.tensor(starting_nodes, dtype=torch.long, device=device)
rw = self.sparse_adj.random_walk(start.flatten(), self.rw_kwargs.get('m'))
self.unique_nodes[tuple(link)] = torch.unique(rw.flatten()).tolist()
print("Finish caching random walk unique nodes")
def __len__(self):
return len(self.links)
def len(self):
return self.__len__()
def get(self, idx):
src, dst = self.links[idx]
y = self.labels[idx]
rw_kwargs = {
"rw_m": self.rw_kwargs.get('m'),
"rw_M": self.rw_kwargs.get('M'),
"sparse_adj": self.sparse_adj,
"edge_index": self.data.edge_index,
"device": self.device,
"data": self.data,
"unique_nodes": self.unique_nodes
}
if not rw_kwargs['rw_m']:
tmp = k_hop_subgraph(src, dst, self.num_hops, self.A, self.ratio_per_hop,
self.max_nodes_per_hop, node_features=self.data.x,
y=y, directed=self.directed, A_csc=self.A_csc)
data = construct_pyg_graph(*tmp, self.node_label)
else:
data = k_hop_subgraph(src, dst, self.num_hops, self.A, self.ratio_per_hop,
self.max_nodes_per_hop, node_features=self.data.x,
y=y, directed=self.directed, A_csc=self.A_csc, rw_kwargs=rw_kwargs)
return data
@profileit()
def profile_train(model, train_loader, optimizer, device, emb, train_dataset, args):
# normal training with BCE logit loss with profiling enabled
model.train()
total_loss = 0
pbar = tqdm(train_loader, ncols=70)
for data in pbar:
data = data.to(device)
optimizer.zero_grad()
x = data.x if args.use_feature else None
edge_weight = data.edge_weight if args.use_edge_weight else None
node_id = data.node_id if emb else None
num_nodes = data.num_nodes
logits = model(num_nodes, data.z, data.edge_index, data.batch, x, edge_weight, node_id)
loss = BCEWithLogitsLoss()(logits.view(-1), data.y.to(torch.float))
loss.backward()
optimizer.step()
total_loss += loss.item() * data.num_graphs
return total_loss / len(train_dataset)
def train_bce(model, train_loader, optimizer, device, emb, train_dataset, args):
# normal training with BCE logit loss
model.train()
total_loss = 0
pbar = tqdm(train_loader, ncols=70)
for data in pbar:
data = data.to(device)
optimizer.zero_grad()
x = data.x if args.use_feature else None
edge_weight = data.edge_weight if args.use_edge_weight else None
node_id = data.node_id if emb else None
num_nodes = data.num_nodes
logits = model(num_nodes, data.z, data.edge_index, data.batch, x, edge_weight, node_id)
loss = BCEWithLogitsLoss()(logits.view(-1), data.y.to(torch.float))
loss.backward()
optimizer.step()
total_loss += loss.item() * data.num_graphs
return total_loss / len(train_dataset)
def train_pairwise(model, train_positive_loader, train_negative_loader, optimizer, device, emb, train_dataset, args):
# pairwise training with AUC loss + many others from PLNLP paper
model.train()
total_loss = 0
pbar = tqdm(train_positive_loader, ncols=70)
train_negative_loader = iter(train_negative_loader)
for indx, data in enumerate(pbar):
pos_data = data.to(device)
optimizer.zero_grad()
pos_x = pos_data.x if args.use_feature else None
pos_edge_weight = pos_data.edge_weight if args.use_edge_weight else None
pos_node_id = pos_data.node_id if emb else None
pos_num_nodes = pos_data.num_nodes
pos_logits = model(pos_num_nodes, pos_data.z, pos_data.edge_index, data.batch, pos_x, pos_edge_weight,
pos_node_id)
neg_data = next(train_negative_loader).to(device)
neg_x = neg_data.x if args.use_feature else None
neg_edge_weight = neg_data.edge_weight if args.use_edge_weight else None
neg_node_id = neg_data.node_id if emb else None
neg_num_nodes = neg_data.num_nodes
neg_logits = model(neg_num_nodes, neg_data.z, neg_data.edge_index, neg_data.batch, neg_x, neg_edge_weight,
neg_node_id)
loss_fn = get_loss(args.loss_fn)
loss = loss_fn(pos_logits, neg_logits, args.neg_ratio)
loss.backward()
optimizer.step()
total_loss += loss.item() * data.num_graphs
return total_loss / len(train_dataset)
def get_loss(loss_function):
if loss_function == 'auc_loss':
return auc_loss
elif loss_function == 'hinge_auc_loss':
return hinge_auc_loss
else:
raise NotImplementedError(f'Loss function {loss_function} not implemented')
@torch.no_grad()
def test(evaluator, model, val_loader, device, emb, test_loader, args):
model.eval()
y_pred, y_true = [], []
for data in tqdm(val_loader, ncols=70):
data = data.to(device)
x = data.x if args.use_feature else None
edge_weight = data.edge_weight if args.use_edge_weight else None
node_id = data.node_id if emb else None
num_nodes = data.num_nodes
logits = model(num_nodes, data.z, data.edge_index, data.batch, x, edge_weight, node_id)
y_pred.append(logits.view(-1).cpu())
y_true.append(data.y.view(-1).cpu().to(torch.float))
val_pred, val_true = torch.cat(y_pred), torch.cat(y_true)
pos_val_pred = val_pred[val_true == 1]
neg_val_pred = val_pred[val_true == 0]
y_pred, y_true = [], []
for data in tqdm(test_loader, ncols=70):
data = data.to(device)
x = data.x if args.use_feature else None
edge_weight = data.edge_weight if args.use_edge_weight else None
node_id = data.node_id if emb else None
num_nodes = data.num_nodes
logits = model(num_nodes, data.z, data.edge_index, data.batch, x, edge_weight, node_id)
y_pred.append(logits.view(-1).cpu())
y_true.append(data.y.view(-1).cpu().to(torch.float))
test_pred, test_true = torch.cat(y_pred), torch.cat(y_true)
pos_test_pred = test_pred[test_true == 1]
neg_test_pred = test_pred[test_true == 0]
if args.eval_metric == 'hits':
results = evaluate_hits(pos_val_pred, neg_val_pred, pos_test_pred, neg_test_pred, evaluator)
elif args.eval_metric == 'mrr':
results = evaluate_mrr(pos_val_pred, neg_val_pred, pos_test_pred, neg_test_pred, evaluator)
elif args.eval_metric == 'auc':
results = evaluate_auc(val_pred, val_true, test_pred, test_true)
return results
@torch.no_grad()
def test_multiple_models(models, val_loader, device, emb, test_loader, evaluator, args):
raise NotImplementedError("This is untested for SCALED")
for m in models:
m.eval()
y_pred, y_true = [[] for _ in range(len(models))], [[] for _ in range(len(models))]
for data in tqdm(val_loader, ncols=70):
data = data.to(device)
x = data.x if args.use_feature else None
edge_weight = data.edge_weight if args.use_edge_weight else None
node_id = data.node_id if emb else None
for i, m in enumerate(models):
logits = m(data.z, data.edge_index, data.batch, x, edge_weight, node_id)
y_pred[i].append(logits.view(-1).cpu())
y_true[i].append(data.y.view(-1).cpu().to(torch.float))
val_pred = [torch.cat(y_pred[i]) for i in range(len(models))]
val_true = [torch.cat(y_true[i]) for i in range(len(models))]
pos_val_pred = [val_pred[i][val_true[i] == 1] for i in range(len(models))]
neg_val_pred = [val_pred[i][val_true[i] == 0] for i in range(len(models))]
y_pred, y_true = [[] for _ in range(len(models))], [[] for _ in range(len(models))]
for data in tqdm(test_loader, ncols=70):
data = data.to(device)
x = data.x if args.use_feature else None
edge_weight = data.edge_weight if args.use_edge_weight else None
node_id = data.node_id if emb else None
for i, m in enumerate(models):
logits = m(data.z, data.edge_index, data.batch, x, edge_weight, node_id)
y_pred[i].append(logits.view(-1).cpu())
y_true[i].append(data.y.view(-1).cpu().to(torch.float))
test_pred = [torch.cat(y_pred[i]) for i in range(len(models))]
test_true = [torch.cat(y_true[i]) for i in range(len(models))]
pos_test_pred = [test_pred[i][test_true[i] == 1] for i in range(len(models))]
neg_test_pred = [test_pred[i][test_true[i] == 0] for i in range(len(models))]
Results = []
for i in range(len(models)):
if args.eval_metric == 'hits':
Results.append(evaluate_hits(pos_val_pred[i], neg_val_pred[i],
pos_test_pred[i], neg_test_pred[i]))
elif args.eval_metric == 'mrr':
Results.append(evaluate_mrr(pos_val_pred[i], neg_val_pred[i],
pos_test_pred[i], neg_test_pred[i], evaluator))
elif args.eval_metric == 'auc':
Results.append(evaluate_auc(val_pred[i], val_true[i],
test_pred[i], test_pred[i]))
return Results
def evaluate_hits(pos_val_pred, neg_val_pred, pos_test_pred, neg_test_pred, evaluator):
results = {}
for K in [20, 50, 100]:
evaluator.K = K
valid_hits = evaluator.eval({
'y_pred_pos': pos_val_pred,
'y_pred_neg': neg_val_pred,
})[f'hits@{K}']
test_hits = evaluator.eval({
'y_pred_pos': pos_test_pred,
'y_pred_neg': neg_test_pred,
})[f'hits@{K}']
results[f'Hits@{K}'] = (valid_hits, test_hits)
return results
def evaluate_mrr(pos_val_pred, neg_val_pred, pos_test_pred, neg_test_pred, evaluator):
neg_val_pred = neg_val_pred.view(pos_val_pred.shape[0], -1)
neg_test_pred = neg_test_pred.view(pos_test_pred.shape[0], -1)
results = {}
valid_mrr = evaluator.eval({
'y_pred_pos': pos_val_pred,
'y_pred_neg': neg_val_pred,
})['mrr_list'].mean().item()
test_mrr = evaluator.eval({
'y_pred_pos': pos_test_pred,
'y_pred_neg': neg_test_pred,
})['mrr_list'].mean().item()
results['MRR'] = (valid_mrr, test_mrr)
return results
def evaluate_auc(val_pred, val_true, test_pred, test_true):
# this also evaluates AP, but the function is not renamed as such
valid_auc = roc_auc_score(val_true, val_pred)
test_auc = roc_auc_score(test_true, test_pred)
valid_ap = average_precision_score(val_true, val_pred)
test_ap = average_precision_score(test_true, test_pred)
results = {}
results['AUC'] = (valid_auc, test_auc)
results['AP'] = (valid_ap, test_ap)
return results
class SWEALArgumentParser:
def __init__(self, dataset, fast_split, model, sortpool_k, num_layers, hidden_channels, batch_size, num_hops,
ratio_per_hop, max_nodes_per_hop, node_label, use_feature, use_edge_weight, lr, epochs, runs,
train_percent, val_percent, test_percent, dynamic_train, dynamic_val, dynamic_test, num_workers,
train_node_embedding, pretrained_node_embedding, use_valedges_as_input, eval_steps, log_steps,
data_appendix, save_appendix, keep_old, continue_from, only_test, test_multiple_models, use_heuristic,
m, M, dropedge, calc_ratio, checkpoint_training, delete_dataset, pairwise, loss_fn, neg_ratio,
profile, split_val_ratio, split_test_ratio, train_mlp, dropout, train_gae, base_gae, dataset_stats,
seed, dataset_split_num, train_n2v, train_mf):
# Data Settings
self.dataset = dataset
self.fast_split = fast_split
self.delete_dataset = delete_dataset
# GNN Settings
self.model = model
self.sortpool_k = sortpool_k
self.num_layers = num_layers
self.hidden_channels = hidden_channels
self.batch_size = batch_size
# Subgraph extraction settings
self.num_hops = num_hops
self.ratio_per_hop = ratio_per_hop
self.max_nodes_per_hop = max_nodes_per_hop
self.node_label = node_label
self.use_feature = use_feature
self.use_edge_weight = use_edge_weight
# Training settings
self.lr = lr
self.epochs = epochs
self.runs = runs
self.train_percent = train_percent
self.val_percent = val_percent
self.test_percent = test_percent
self.dynamic_train = dynamic_train
self.dynamic_val = dynamic_val
self.dynamic_test = dynamic_test
self.num_workers = num_workers
self.train_node_embedding = train_node_embedding
self.pretrained_node_embedding = pretrained_node_embedding
# Testing settings
self.use_valedges_as_input = use_valedges_as_input
self.eval_steps = eval_steps
self.log_steps = log_steps
self.checkpoint_training = checkpoint_training
self.data_appendix = data_appendix
self.save_appendix = save_appendix
self.keep_old = keep_old
self.continue_from = continue_from
self.only_test = only_test
self.test_multiple_models = test_multiple_models
self.use_heuristic = use_heuristic
# SWEAL
self.m = m
self.M = M
self.dropedge = dropedge
self.calc_ratio = calc_ratio
self.pairwise = pairwise
self.loss_fn = loss_fn
self.neg_ratio = neg_ratio
self.profile = profile
self.split_val_ratio = split_val_ratio
self.split_test_ratio = split_test_ratio
self.train_mlp = train_mlp
self.dropout = dropout
self.train_gae = train_gae
self.base_gae = base_gae
self.dataset_stats = dataset_stats
self.seed = seed
self.dataset_split_num = dataset_split_num
self.train_n2v = train_n2v
self.train_mf = train_mf
def run_sweal(args, device):
if args.save_appendix == '':
args.save_appendix = '_' + time.strftime("%Y%m%d%H%M%S") + f'_seed{args.seed}'
if args.m and args.M:
args.save_appendix += f'_m{args.m}_M{args.M}_dropedge{args.dropedge}_seed{args.seed}'
if args.data_appendix == '':
if args.m and args.M:
args.data_appendix = f'_m{args.m}_M{args.M}_dropedge{args.dropedge}_seed{args.seed}'
else:
args.data_appendix = '_h{}_{}_rph{}_seed{}'.format(
args.num_hops, args.node_label, ''.join(str(args.ratio_per_hop).split('.')), args.seed)
if args.max_nodes_per_hop is not None:
args.data_appendix += '_mnph{}'.format(args.max_nodes_per_hop)
if args.use_valedges_as_input:
args.data_appendix += '_uvai'
args.res_dir = os.path.join('results/{}{}'.format(args.dataset, args.save_appendix))
print('Results will be saved in ' + args.res_dir)
if not os.path.exists(args.res_dir):
os.makedirs(args.res_dir)
if not args.keep_old:
# Backup python files.
copy('seal_link_pred.py', args.res_dir)
copy('utils.py', args.res_dir)
log_file = os.path.join(args.res_dir, 'log.txt')
# Save command line input.
cmd_input = 'python ' + ' '.join(sys.argv) + '\n'
with open(os.path.join(args.res_dir, 'cmd_input.txt'), 'a') as f:
f.write(cmd_input)
print('Command line input: ' + cmd_input + ' is saved.')
with open(log_file, 'a') as f:
f.write('\n' + cmd_input)
# S[W]EAL Dataset prep + Training Flow
if args.dataset.startswith('ogbl'):
dataset = PygLinkPropPredDataset(name=args.dataset)
split_edge = dataset.get_edge_split()
data = dataset[0]
elif args.dataset.startswith('attributed'):
dataset_name = args.dataset.split('-')[-1]
path = osp.join('dataset', dataset_name)
dataset = AttributedGraphDataset(path, dataset_name)
split_edge = do_edge_split(dataset, args.fast_split, val_ratio=args.split_val_ratio,
test_ratio=args.split_test_ratio, neg_ratio=args.neg_ratio)
data = dataset[0]
data.edge_index = split_edge['train']['edge'].t()
elif args.dataset in ['Cora', 'Pubmed', 'CiteSeer']:
path = osp.join('dataset', args.dataset)
dataset = Planetoid(path, args.dataset)
split_edge = do_edge_split(dataset, args.fast_split, val_ratio=args.split_val_ratio,
test_ratio=args.split_test_ratio, neg_ratio=args.neg_ratio)
data = dataset[0]
data.edge_index = split_edge['train']['edge'].t()
import networkx as nx
G = nx.Graph()
G.add_edges_from(data.edge_index.T.detach().numpy())
elif args.dataset in ['USAir', 'NS', 'Power', 'Celegans', 'Router', 'PB', 'Ecoli', 'Yeast']:
# We consume the dataset split index as well
file_name = os.path.join('data', 'link_prediction', args.dataset.lower())
node_id_mapping = read_label(file_name)
edges = read_edges(file_name, node_id_mapping)
import networkx as nx
G = nx.Graph(edges)
edges_coo = torch.tensor(edges, dtype=torch.long).t().contiguous()
data = Data(edge_index=edges_coo.view(2, -1))
data.edge_index = to_undirected(data.edge_index)
data.num_nodes = torch.max(data.edge_index) + 1
split_edge = do_edge_split(data, args.fast_split, val_ratio=args.split_val_ratio,
test_ratio=args.split_test_ratio, neg_ratio=args.neg_ratio, data_passed=True)
data.edge_index = split_edge['train']['edge'].t()
# backward compatibility
class DummyDataset:
def __init__(self, root):
self.root = root
self.num_features = 0
def __repr__(self):
return args.dataset
def __len__(self):
return 1
dataset = DummyDataset(root=f'dataset/{args.dataset}/SEALDataset_{args.dataset}')
print("Finish reading from file")
else:
raise NotImplementedError(f'dataset {args.dataset} is not yet supported.')
if args.dataset_stats:
if args.dataset in ['USAir', 'NS', 'Power', 'Celegans', 'Router', 'PB', 'Ecoli', 'Yeast']:
print(f'Dataset: {dataset}:')
print('======================')
print(f'Number of graphs: {len(dataset)}')
print(f'Number of features: {dataset.num_features}')
print(f'Number of nodes: {G.number_of_nodes()}')
print(f'Number of edges: {G.number_of_edges()}')
degrees = [x[1] for x in G.degree]
print(f'Average node degree: {sum(degrees) / len(G.nodes):.2f}')
print(f'Average clustering coeffiecient: {nx.average_clustering(G)}')
print(f'Is undirected: {data.is_undirected()}')
exit()
else:
print(f'Dataset: {dataset}:')
print('======================')
print(f'Number of graphs: {len(dataset)}')
print(f'Number of features: {dataset.num_features}')
print(f'Number of nodes: {data.num_nodes}')
print(f'Number of edges: {G.number_of_edges()}')
print(f'Average node degree: {data.num_edges / data.num_nodes:.2f}')
print(f'Average clustering coeffiecient: {nx.average_clustering(G)}')
print(f'Is undirected: {data.is_undirected()}')
exit()
if args.dataset.startswith('ogbl-citation'):
args.eval_metric = 'mrr'
directed = True
elif args.dataset.startswith('ogbl'):
args.eval_metric = 'hits'
directed = False
else: # assume other datasets are undirected
args.eval_metric = 'auc'
directed = False
if args.use_valedges_as_input:
val_edge_index = split_edge['valid']['edge'].t()
if not directed:
val_edge_index = to_undirected(val_edge_index)
data.edge_index = torch.cat([data.edge_index, val_edge_index], dim=-1)
val_edge_weight = torch.ones([val_edge_index.size(1), 1], dtype=int)
data.edge_weight = torch.cat([data.edge_weight, val_edge_weight], 0)
evaluator = None
if args.dataset.startswith('ogbl'):
evaluator = Evaluator(name=args.dataset)
if args.eval_metric == 'hits':
loggers = {
'Hits@20': Logger(args.runs, args),
'Hits@50': Logger(args.runs, args),
'Hits@100': Logger(args.runs, args),
}
elif args.eval_metric == 'mrr':
loggers = {
'MRR': Logger(args.runs, args),
}
elif args.eval_metric == 'auc':
loggers = {
'AUC': Logger(args.runs, args),
'AP': Logger(args.runs, args)
}
if args.use_heuristic:
# Test link prediction heuristics.
num_nodes = data.num_nodes
if 'edge_weight' in data:
edge_weight = data.edge_weight.view(-1)
else:
edge_weight = torch.ones(data.edge_index.size(1), dtype=int)
A = ssp.csr_matrix((edge_weight, (data.edge_index[0], data.edge_index[1])),
shape=(num_nodes, num_nodes))
pos_val_edge, neg_val_edge = get_pos_neg_edges('valid', split_edge,
data.edge_index,
data.num_nodes, neg_ratio=args.neg_ratio)
pos_test_edge, neg_test_edge = get_pos_neg_edges('test', split_edge,
data.edge_index,
data.num_nodes, neg_ratio=args.neg_ratio)
pos_val_pred, pos_val_edge = eval(args.use_heuristic)(A, pos_val_edge)
neg_val_pred, neg_val_edge = eval(args.use_heuristic)(A, neg_val_edge)
pos_test_pred, pos_test_edge = eval(args.use_heuristic)(A, pos_test_edge)
neg_test_pred, neg_test_edge = eval(args.use_heuristic)(A, neg_test_edge)
if args.eval_metric == 'hits':
results = evaluate_hits(pos_val_pred, neg_val_pred, pos_test_pred, neg_test_pred, evaluator)
elif args.eval_metric == 'mrr':
results = evaluate_mrr(pos_val_pred, neg_val_pred, pos_test_pred, neg_test_pred, evaluator)
elif args.eval_metric == 'auc':
val_pred = torch.cat([pos_val_pred, neg_val_pred])
val_true = torch.cat([torch.ones(pos_val_pred.size(0), dtype=int),
torch.zeros(neg_val_pred.size(0), dtype=int)])
test_pred = torch.cat([pos_test_pred, neg_test_pred])
test_true = torch.cat([torch.ones(pos_test_pred.size(0), dtype=int),
torch.zeros(neg_test_pred.size(0), dtype=int)])
results = evaluate_auc(val_pred, val_true, test_pred, test_true)
for key, result in results.items():
loggers[key].add_result(0, result)
for key in loggers.keys():
print(key)
loggers[key].print_statistics()
with open(log_file, 'a') as f:
print(key, file=f)
loggers[key].print_statistics(f=f)
exit()
# SEAL.
path = dataset.root + '_seal{}'.format(args.data_appendix)
use_coalesce = True if args.dataset == 'ogbl-collab' else False
if not args.dynamic_train and not args.dynamic_val and not args.dynamic_test:
args.num_workers = 0
rw_kwargs = {}
if args.m and args.M:
rw_kwargs = {
"m": args.m,
"M": args.M
}
if args.calc_ratio:
rw_kwargs.update({'calc_ratio': True})
if not any([args.train_gae, args.train_mf, args.train_n2v]):
print("Setting up Train data")
dataset_class = 'SEALDynamicDataset' if args.dynamic_train else 'SEALDataset'
if not args.pairwise:
train_dataset = eval(dataset_class)(
path,
data,
split_edge,
num_hops=args.num_hops,
percent=args.train_percent,
split='train',
use_coalesce=use_coalesce,
node_label=args.node_label,
ratio_per_hop=args.ratio_per_hop,
max_nodes_per_hop=args.max_nodes_per_hop,
directed=directed,
rw_kwargs=rw_kwargs,
device=device,
neg_ratio=args.neg_ratio,
)
else:
pos_path = f'{path}_pos_edges'
train_positive_dataset = eval(dataset_class)(
pos_path,
data,
split_edge,
num_hops=args.num_hops,
percent=args.train_percent,
split='train',
use_coalesce=use_coalesce,
node_label=args.node_label,
ratio_per_hop=args.ratio_per_hop,
max_nodes_per_hop=args.max_nodes_per_hop,
directed=directed,
rw_kwargs=rw_kwargs,
device=device,
pairwise=args.pairwise,
pos_pairwise=True,
neg_ratio=args.neg_ratio,
)
neg_path = f'{path}_neg_edges'
train_negative_dataset = eval(dataset_class)(
neg_path,
data,
split_edge,
num_hops=args.num_hops,
percent=args.train_percent,
split='train',
use_coalesce=use_coalesce,
node_label=args.node_label,
ratio_per_hop=args.ratio_per_hop,
max_nodes_per_hop=args.max_nodes_per_hop,
directed=directed,
rw_kwargs=rw_kwargs,
device=device,
pairwise=args.pairwise,
pos_pairwise=False,
neg_ratio=args.neg_ratio,
)
viz = False
if viz: # visualize some graphs
import networkx as nx
from torch_geometric.utils import to_networkx
import matplotlib
matplotlib.use("Agg")
import matplotlib.pyplot as plt
loader = DataLoader(train_dataset, batch_size=1, shuffle=False)
for g in loader:
f = plt.figure(figsize=(20, 20))
limits = plt.axis('off')
g = g.to(device)
node_size = 100
with_labels = True
G = to_networkx(g, node_attrs=['z'])
labels = {i: G.nodes[i]['z'] for i in range(len(G))}
nx.draw(G, node_size=node_size, arrows=True, with_labels=with_labels,
labels=labels)
f.savefig('tmp_vis.png')
pdb.set_trace()
if not any([args.train_gae, args.train_mf, args.train_n2v]):
print("Setting up Val data")
dataset_class = 'SEALDynamicDataset' if args.dynamic_val else 'SEALDataset'
val_dataset = eval(dataset_class)(
path,
data,
split_edge,
num_hops=args.num_hops,
percent=args.val_percent,
split='valid',
use_coalesce=use_coalesce,
node_label=args.node_label,
ratio_per_hop=args.ratio_per_hop,
max_nodes_per_hop=args.max_nodes_per_hop,
directed=directed,
rw_kwargs=rw_kwargs,
device=device
)
print("Setting up Test data")
dataset_class = 'SEALDynamicDataset' if args.dynamic_test else 'SEALDataset'
test_dataset = eval(dataset_class)(
path,
data,
split_edge,
num_hops=args.num_hops,
percent=args.test_percent,
split='test',
use_coalesce=use_coalesce,
node_label=args.node_label,
ratio_per_hop=args.ratio_per_hop,
max_nodes_per_hop=args.max_nodes_per_hop,
directed=directed,
rw_kwargs=rw_kwargs,
device=device
)
if args.calc_ratio:
print("Finished calculating ratio of datasets.")
exit()
max_z = 1000 # set a large max_z so that every z has embeddings to look up
if not any([args.train_gae, args.train_mf, args.train_n2v]):
if args.pairwise:
train_pos_loader = DataLoader(train_positive_dataset, batch_size=args.batch_size,
shuffle=True, num_workers=args.num_workers)
train_neg_loader = DataLoader(train_negative_dataset, batch_size=args.batch_size * args.neg_ratio,
shuffle=True, num_workers=args.num_workers)
else:
train_loader = DataLoader(train_dataset, batch_size=args.batch_size,
shuffle=True, num_workers=args.num_workers)
val_loader = DataLoader(val_dataset, batch_size=args.batch_size,
num_workers=args.num_workers)
test_loader = DataLoader(test_dataset, batch_size=args.batch_size,
num_workers=args.num_workers)
if args.train_node_embedding:
emb = torch.nn.Embedding(data.num_nodes, args.hidden_channels).to(device)
elif args.pretrained_node_embedding:
weight = torch.load(args.pretrained_node_embedding)
emb = torch.nn.Embedding.from_pretrained(weight)
emb.weight.requires_grad = False
else:
emb = None
seed_everything(args.seed) # reset rng for model weights
for run in range(args.runs):
if args.pairwise:
train_dataset = train_positive_dataset
if args.train_gae:
if not args.dataset.startswith('ogbl'):
train_gnn(device, data, split_edge, args)
else:
train_gae_ogbl(args, device, data, split_edge)
exit()
if args.train_n2v:
if not args.dataset.startswith('ogbl'):
run_n2v(device, data, split_edge, args.epochs, args.lr, args.hidden_channels, args.neg_ratio,
args.batch_size, args.num_workers, args)
else:
run_and_save_n2v(args, device, data) # saves n2v embeddings
train_n2v_emb(args, device, data, split_edge) # trains MLP on above saved n2v embeddings
exit()
if args.train_mf:
if not args.dataset.startswith('ogbl'):
train_mf(data, split_edge, device, args.log_steps, args.num_layers, args.hidden_channels, args.dropout,
args.batch_size, args.lr, args.epochs, args.eval_steps, args.runs, args.seed, args)
else:
train_mf_ogbl(args, split_edge, data)
exit()
if args.model == 'DGCNN':
model = DGCNN(args.hidden_channels, args.num_layers, max_z, args.sortpool_k,
train_dataset, args.dynamic_train, use_feature=args.use_feature,
node_embedding=emb, dropedge=args.dropedge).to(device)
elif args.model == 'SAGE':
model = SAGE(args.hidden_channels, args.num_layers, max_z, train_dataset,
args.use_feature, node_embedding=emb, dropedge=args.dropedge).to(device)
elif args.model == 'GCN':
model = GCN(args.hidden_channels, args.num_layers, max_z, train_dataset,
args.use_feature, node_embedding=emb, dropedge=args.dropedge).to(device)
elif args.model == 'GIN':
model = GIN(args.hidden_channels, args.num_layers, max_z, train_dataset,
args.use_feature, node_embedding=emb).to(device)
parameters = list(model.parameters())
if args.train_node_embedding:
torch.nn.init.xavier_uniform_(emb.weight)
parameters += list(emb.parameters())
optimizer = torch.optim.Adam(params=parameters, lr=args.lr)
total_params = sum(p.numel() for param in parameters for p in param)
print(f'Total number of parameters is {total_params}')
if args.model == 'DGCNN':
print(f'SortPooling k is set to {model.k}')
with open(log_file, 'a') as f:
print(f'Total number of parameters is {total_params}', file=f)
if args.model == 'DGCNN':