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preprocess.py
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preprocess.py
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import numpy as np
import scipy.sparse as sp
import torch
def mask_test_edges(adj):
# Function to build test set with 10% positive links
# NOTE: Splits are randomized and results might slightly deviate from reported numbers in the paper.
# TODO: Clean up.
# Remove diagonal elements
adj = adj - sp.dia_matrix(
(adj.diagonal()[np.newaxis, :], [0]), shape=adj.shape
)
adj.eliminate_zeros()
# Check that diag is zero:
assert np.diag(adj.todense()).sum() == 0
adj_triu = sp.triu(adj)
adj_tuple = sparse_to_tuple(adj_triu)
edges = adj_tuple[0]
edges_all = sparse_to_tuple(adj)[0]
num_test = int(np.floor(edges.shape[0] / 10.0))
num_val = int(np.floor(edges.shape[0] / 20.0))
all_edge_idx = list(range(edges.shape[0]))
np.random.shuffle(all_edge_idx)
val_edge_idx = all_edge_idx[:num_val]
test_edge_idx = all_edge_idx[num_val : (num_val + num_test)]
test_edges = edges[test_edge_idx]
val_edges = edges[val_edge_idx]
train_edges = np.delete(
edges, np.hstack([test_edge_idx, val_edge_idx]), axis=0
)
def ismember(a, b, tol=5):
rows_close = np.all(np.round(a - b[:, None], tol) == 0, axis=-1)
return np.any(rows_close)
test_edges_false = []
while len(test_edges_false) < len(test_edges):
idx_i = np.random.randint(0, adj.shape[0])
idx_j = np.random.randint(0, adj.shape[0])
if idx_i == idx_j:
continue
if ismember([idx_i, idx_j], edges_all):
continue
if test_edges_false:
if ismember([idx_j, idx_i], np.array(test_edges_false)):
continue
if ismember([idx_i, idx_j], np.array(test_edges_false)):
continue
test_edges_false.append([idx_i, idx_j])
val_edges_false = []
while len(val_edges_false) < len(val_edges):
idx_i = np.random.randint(0, adj.shape[0])
idx_j = np.random.randint(0, adj.shape[0])
if idx_i == idx_j:
continue
if ismember([idx_i, idx_j], train_edges):
continue
if ismember([idx_j, idx_i], train_edges):
continue
if ismember([idx_i, idx_j], val_edges):
continue
if ismember([idx_j, idx_i], val_edges):
continue
if val_edges_false:
if ismember([idx_j, idx_i], np.array(val_edges_false)):
continue
if ismember([idx_i, idx_j], np.array(val_edges_false)):
continue
val_edges_false.append([idx_i, idx_j])
assert ~ismember(test_edges_false, edges_all)
assert ~ismember(val_edges_false, edges_all)
assert ~ismember(val_edges, train_edges)
assert ~ismember(test_edges, train_edges)
assert ~ismember(val_edges, test_edges)
data = np.ones(train_edges.shape[0])
# Re-build adj matrix
adj_train = sp.csr_matrix(
(data, (train_edges[:, 0], train_edges[:, 1])), shape=adj.shape
)
adj_train = adj_train + adj_train.T
# NOTE: these edge lists only contain single direction of edge!
return (
adj_train,
train_edges,
val_edges,
val_edges_false,
test_edges,
test_edges_false,
)
def mask_test_edges_dgl(graph, adj):
src, dst = graph.edges()
edges_all = torch.stack([src, dst], dim=0)
edges_all = edges_all.t().cpu().numpy()
num_test = int(np.floor(edges_all.shape[0] / 10.0))
num_val = int(np.floor(edges_all.shape[0] / 20.0))
all_edge_idx = list(range(edges_all.shape[0]))
np.random.shuffle(all_edge_idx)
val_edge_idx = all_edge_idx[:num_val]
test_edge_idx = all_edge_idx[num_val : (num_val + num_test)]
train_edge_idx = all_edge_idx[(num_val + num_test) :]
test_edges = edges_all[test_edge_idx]
val_edges = edges_all[val_edge_idx]
train_edges = np.delete(
edges_all, np.hstack([test_edge_idx, val_edge_idx]), axis=0
)
def ismember(a, b, tol=5):
rows_close = np.all(np.round(a - b[:, None], tol) == 0, axis=-1)
return np.any(rows_close)
test_edges_false = []
while len(test_edges_false) < len(test_edges):
idx_i = np.random.randint(0, adj.shape[0])
idx_j = np.random.randint(0, adj.shape[0])
if idx_i == idx_j:
continue
if ismember([idx_i, idx_j], edges_all):
continue
if test_edges_false:
if ismember([idx_j, idx_i], np.array(test_edges_false)):
continue
if ismember([idx_i, idx_j], np.array(test_edges_false)):
continue
test_edges_false.append([idx_i, idx_j])
val_edges_false = []
while len(val_edges_false) < len(val_edges):
idx_i = np.random.randint(0, adj.shape[0])
idx_j = np.random.randint(0, adj.shape[0])
if idx_i == idx_j:
continue
if ismember([idx_i, idx_j], train_edges):
continue
if ismember([idx_j, idx_i], train_edges):
continue
if ismember([idx_i, idx_j], val_edges):
continue
if ismember([idx_j, idx_i], val_edges):
continue
if val_edges_false:
if ismember([idx_j, idx_i], np.array(val_edges_false)):
continue
if ismember([idx_i, idx_j], np.array(val_edges_false)):
continue
val_edges_false.append([idx_i, idx_j])
assert ~ismember(test_edges_false, edges_all)
assert ~ismember(val_edges_false, edges_all)
assert ~ismember(val_edges, train_edges)
assert ~ismember(test_edges, train_edges)
assert ~ismember(val_edges, test_edges)
# NOTE: these edge lists only contain single direction of edge!
return (
train_edge_idx,
val_edges,
val_edges_false,
test_edges,
test_edges_false,
)
def sparse_to_tuple(sparse_mx):
if not sp.isspmatrix_coo(sparse_mx):
sparse_mx = sparse_mx.tocoo()
coords = np.vstack((sparse_mx.row, sparse_mx.col)).transpose()
values = sparse_mx.data
shape = sparse_mx.shape
return coords, values, shape
def preprocess_graph(adj):
adj = sp.coo_matrix(adj)
adj_ = adj + sp.eye(adj.shape[0])
rowsum = np.array(adj_.sum(1))
degree_mat_inv_sqrt = sp.diags(np.power(rowsum, -0.5).flatten())
adj_normalized = (
adj_.dot(degree_mat_inv_sqrt)
.transpose()
.dot(degree_mat_inv_sqrt)
.tocoo()
)
return adj_normalized, sparse_to_tuple(adj_normalized)