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dmlc--dgl/tests/python/pytorch/nn/test_nn.py
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2026-07-13 13:35:51 +08:00

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Python

import io
import pickle
import random
import re
from copy import deepcopy
import backend as F
import dgl
import dgl.function as fn
import dgl.nn.pytorch as nn
import networkx as nx
import numpy as np # For setting seed for scipy
import pytest
import scipy as sp
import torch
import torch as th
from dgl import shortest_dist
from torch.nn.utils.rnn import pad_sequence
from torch.optim import Adam, SparseAdam
from torch.utils.data import DataLoader
from utils import parametrize_idtype
from utils.graph_cases import (
get_cases,
random_bipartite,
random_dglgraph,
random_graph,
)
# Set seeds to make tests fully reproducible.
SEED = 12345 # random.randint(1, 99999)
random.seed(SEED) # For networkx
np.random.seed(SEED) # For scipy
dgl.seed(SEED)
F.seed(SEED)
tmp_buffer = io.BytesIO()
def _AXWb(A, X, W, b):
X = th.matmul(X, W)
Y = th.matmul(A, X.view(X.shape[0], -1)).view_as(X)
return Y + b
def graph_with_nodes(num_nodes, ctx=None):
g = dgl.from_networkx(nx.path_graph(num_nodes))
return g.to(ctx) if ctx else g
@pytest.mark.parametrize("out_dim", [1, 2])
def test_graph_conv0(out_dim):
ctx = F.ctx()
g = graph_with_nodes(3, ctx)
adj = g.adj_external(transpose=True, ctx=ctx)
conv = nn.GraphConv(5, out_dim, norm="none", bias=True)
conv = conv.to(ctx)
print(conv)
# test pickle
th.save(conv, tmp_buffer)
# test#1: basic
h0 = F.ones((3, 5))
h1 = conv(g, h0)
assert len(g.ndata) == 0
assert len(g.edata) == 0
assert F.allclose(h1, _AXWb(adj, h0, conv.weight, conv.bias))
# test#2: more-dim
h0 = F.ones((3, 5, 5))
h1 = conv(g, h0)
assert len(g.ndata) == 0
assert len(g.edata) == 0
assert F.allclose(h1, _AXWb(adj, h0, conv.weight, conv.bias))
conv = nn.GraphConv(5, out_dim)
conv = conv.to(ctx)
# test#3: basic
h0 = F.ones((3, 5))
h1 = conv(g, h0)
assert len(g.ndata) == 0
assert len(g.edata) == 0
# test#4: basic
h0 = F.ones((3, 5, 5))
h1 = conv(g, h0)
assert len(g.ndata) == 0
assert len(g.edata) == 0
conv = nn.GraphConv(5, out_dim)
conv = conv.to(ctx)
# test#3: basic
h0 = F.ones((3, 5))
h1 = conv(g, h0)
assert len(g.ndata) == 0
assert len(g.edata) == 0
# test#4: basic
h0 = F.ones((3, 5, 5))
h1 = conv(g, h0)
assert len(g.ndata) == 0
assert len(g.edata) == 0
# test rest_parameters
old_weight = deepcopy(conv.weight.data)
conv.reset_parameters()
new_weight = conv.weight.data
assert not F.allclose(old_weight, new_weight)
@parametrize_idtype
@pytest.mark.parametrize(
"g", get_cases(["homo", "bipartite"], exclude=["zero-degree", "dglgraph"])
)
@pytest.mark.parametrize("norm", ["none", "both", "right", "left"])
@pytest.mark.parametrize("weight", [True, False])
@pytest.mark.parametrize("bias", [True, False])
@pytest.mark.parametrize("out_dim", [1, 2])
def test_graph_conv(idtype, g, norm, weight, bias, out_dim):
# Test one tensor input
g = g.astype(idtype).to(F.ctx())
conv = nn.GraphConv(5, out_dim, norm=norm, weight=weight, bias=bias).to(
F.ctx()
)
ext_w = F.randn((5, out_dim)).to(F.ctx())
nsrc = g.number_of_src_nodes()
ndst = g.number_of_dst_nodes()
h = F.randn((nsrc, 5)).to(F.ctx())
if weight:
h_out = conv(g, h)
else:
h_out = conv(g, h, weight=ext_w)
assert h_out.shape == (ndst, out_dim)
@parametrize_idtype
@pytest.mark.parametrize(
"g",
get_cases(["has_scalar_e_feature"], exclude=["zero-degree", "dglgraph"]),
)
@pytest.mark.parametrize("norm", ["none", "both", "right"])
@pytest.mark.parametrize("weight", [True, False])
@pytest.mark.parametrize("bias", [True, False])
@pytest.mark.parametrize("out_dim", [1, 2])
def test_graph_conv_e_weight(idtype, g, norm, weight, bias, out_dim):
g = g.astype(idtype).to(F.ctx())
conv = nn.GraphConv(5, out_dim, norm=norm, weight=weight, bias=bias).to(
F.ctx()
)
ext_w = F.randn((5, out_dim)).to(F.ctx())
nsrc = g.number_of_src_nodes()
ndst = g.number_of_dst_nodes()
h = F.randn((nsrc, 5)).to(F.ctx())
e_w = g.edata["scalar_w"]
if weight:
h_out = conv(g, h, edge_weight=e_w)
else:
h_out = conv(g, h, weight=ext_w, edge_weight=e_w)
assert h_out.shape == (ndst, out_dim)
@parametrize_idtype
@pytest.mark.parametrize(
"g",
get_cases(["has_scalar_e_feature"], exclude=["zero-degree", "dglgraph"]),
)
@pytest.mark.parametrize("norm", ["none", "both", "right"])
@pytest.mark.parametrize("weight", [True, False])
@pytest.mark.parametrize("bias", [True, False])
@pytest.mark.parametrize("out_dim", [1, 2])
def test_graph_conv_e_weight_norm(idtype, g, norm, weight, bias, out_dim):
g = g.astype(idtype).to(F.ctx())
conv = nn.GraphConv(5, out_dim, norm=norm, weight=weight, bias=bias).to(
F.ctx()
)
# test pickle
th.save(conv, tmp_buffer)
ext_w = F.randn((5, out_dim)).to(F.ctx())
nsrc = g.number_of_src_nodes()
ndst = g.number_of_dst_nodes()
h = F.randn((nsrc, 5)).to(F.ctx())
edgenorm = nn.EdgeWeightNorm(norm=norm)
norm_weight = edgenorm(g, g.edata["scalar_w"])
if weight:
h_out = conv(g, h, edge_weight=norm_weight)
else:
h_out = conv(g, h, weight=ext_w, edge_weight=norm_weight)
assert h_out.shape == (ndst, out_dim)
@parametrize_idtype
@pytest.mark.parametrize(
"g", get_cases(["bipartite"], exclude=["zero-degree", "dglgraph"])
)
@pytest.mark.parametrize("norm", ["none", "both", "right"])
@pytest.mark.parametrize("weight", [True, False])
@pytest.mark.parametrize("bias", [True, False])
@pytest.mark.parametrize("out_dim", [1, 2])
def test_graph_conv_bi(idtype, g, norm, weight, bias, out_dim):
# Test a pair of tensor inputs
g = g.astype(idtype).to(F.ctx())
conv = nn.GraphConv(5, out_dim, norm=norm, weight=weight, bias=bias).to(
F.ctx()
)
# test pickle
th.save(conv, tmp_buffer)
ext_w = F.randn((5, out_dim)).to(F.ctx())
nsrc = g.number_of_src_nodes()
ndst = g.number_of_dst_nodes()
h = F.randn((nsrc, 5)).to(F.ctx())
h_dst = F.randn((ndst, out_dim)).to(F.ctx())
if weight:
h_out = conv(g, (h, h_dst))
else:
h_out = conv(g, (h, h_dst), weight=ext_w)
assert h_out.shape == (ndst, out_dim)
def _S2AXWb(A, N, X, W, b):
X1 = X * N
X1 = th.matmul(A, X1.view(X1.shape[0], -1))
X1 = X1 * N
X2 = X1 * N
X2 = th.matmul(A, X2.view(X2.shape[0], -1))
X2 = X2 * N
X = th.cat([X, X1, X2], dim=-1)
Y = th.matmul(X, W.rot90())
return Y + b
@pytest.mark.parametrize("out_dim", [1, 2])
def test_tagconv(out_dim):
ctx = F.ctx()
g = graph_with_nodes(3, ctx)
adj = g.adj_external(transpose=True, ctx=ctx)
norm = th.pow(g.in_degrees().float(), -0.5)
conv = nn.TAGConv(5, out_dim, bias=True)
conv = conv.to(ctx)
print(conv)
# test pickle
th.save(conv, tmp_buffer)
# test#1: basic
h0 = F.ones((3, 5))
h1 = conv(g, h0)
assert len(g.ndata) == 0
assert len(g.edata) == 0
shp = norm.shape + (1,) * (h0.dim() - 1)
norm = th.reshape(norm, shp).to(ctx)
assert F.allclose(
h1, _S2AXWb(adj, norm, h0, conv.lin.weight, conv.lin.bias)
)
conv = nn.TAGConv(5, out_dim)
conv = conv.to(ctx)
# test#2: basic
h0 = F.ones((3, 5))
h1 = conv(g, h0)
assert h1.shape[-1] == out_dim
# test reset_parameters
old_weight = deepcopy(conv.lin.weight.data)
conv.reset_parameters()
new_weight = conv.lin.weight.data
assert not F.allclose(old_weight, new_weight)
def test_set2set():
ctx = F.ctx()
g = graph_with_nodes(10, ctx)
s2s = nn.Set2Set(5, 3, 3) # hidden size 5, 3 iters, 3 layers
s2s = s2s.to(ctx)
print(s2s)
# test#1: basic
h0 = F.randn((g.num_nodes(), 5))
h1 = s2s(g, h0)
assert h1.shape[0] == 1 and h1.shape[1] == 10 and h1.dim() == 2
# test#2: batched graph
g1 = graph_with_nodes(11, ctx)
g2 = graph_with_nodes(5, ctx)
bg = dgl.batch([g, g1, g2])
h0 = F.randn((bg.num_nodes(), 5))
h1 = s2s(bg, h0)
assert h1.shape[0] == 3 and h1.shape[1] == 10 and h1.dim() == 2
def test_glob_att_pool():
ctx = F.ctx()
g = graph_with_nodes(10, ctx)
gap = nn.GlobalAttentionPooling(th.nn.Linear(5, 1), th.nn.Linear(5, 10))
gap = gap.to(ctx)
print(gap)
# test pickle
th.save(gap, tmp_buffer)
# test#1: basic
h0 = F.randn((g.num_nodes(), 5))
h1 = gap(g, h0)
assert h1.shape[0] == 1 and h1.shape[1] == 10 and h1.dim() == 2
# test#2: batched graph
bg = dgl.batch([g, g, g, g])
h0 = F.randn((bg.num_nodes(), 5))
h1 = gap(bg, h0)
assert h1.shape[0] == 4 and h1.shape[1] == 10 and h1.dim() == 2
def test_simple_pool():
ctx = F.ctx()
g = graph_with_nodes(15, ctx)
sum_pool = nn.SumPooling()
avg_pool = nn.AvgPooling()
max_pool = nn.MaxPooling()
sort_pool = nn.SortPooling(10) # k = 10
print(sum_pool, avg_pool, max_pool, sort_pool)
# test#1: basic
h0 = F.randn((g.num_nodes(), 5))
sum_pool = sum_pool.to(ctx)
avg_pool = avg_pool.to(ctx)
max_pool = max_pool.to(ctx)
sort_pool = sort_pool.to(ctx)
h1 = sum_pool(g, h0)
assert F.allclose(F.squeeze(h1, 0), F.sum(h0, 0))
h1 = avg_pool(g, h0)
assert F.allclose(F.squeeze(h1, 0), F.mean(h0, 0))
h1 = max_pool(g, h0)
assert F.allclose(F.squeeze(h1, 0), F.max(h0, 0))
h1 = sort_pool(g, h0)
assert h1.shape[0] == 1 and h1.shape[1] == 10 * 5 and h1.dim() == 2
# test#2: batched graph
g_ = graph_with_nodes(5, ctx)
bg = dgl.batch([g, g_, g, g_, g])
h0 = F.randn((bg.num_nodes(), 5))
h1 = sum_pool(bg, h0)
truth = th.stack(
[
F.sum(h0[:15], 0),
F.sum(h0[15:20], 0),
F.sum(h0[20:35], 0),
F.sum(h0[35:40], 0),
F.sum(h0[40:55], 0),
],
0,
)
assert F.allclose(h1, truth)
h1 = avg_pool(bg, h0)
truth = th.stack(
[
F.mean(h0[:15], 0),
F.mean(h0[15:20], 0),
F.mean(h0[20:35], 0),
F.mean(h0[35:40], 0),
F.mean(h0[40:55], 0),
],
0,
)
assert F.allclose(h1, truth)
h1 = max_pool(bg, h0)
truth = th.stack(
[
F.max(h0[:15], 0),
F.max(h0[15:20], 0),
F.max(h0[20:35], 0),
F.max(h0[35:40], 0),
F.max(h0[40:55], 0),
],
0,
)
assert F.allclose(h1, truth)
h1 = sort_pool(bg, h0)
assert h1.shape[0] == 5 and h1.shape[1] == 10 * 5 and h1.dim() == 2
def test_set_trans():
ctx = F.ctx()
g = graph_with_nodes(15)
st_enc_0 = nn.SetTransformerEncoder(50, 5, 10, 100, 2, "sab")
st_enc_1 = nn.SetTransformerEncoder(50, 5, 10, 100, 2, "isab", 3)
st_dec = nn.SetTransformerDecoder(50, 5, 10, 100, 2, 4)
st_enc_0 = st_enc_0.to(ctx)
st_enc_1 = st_enc_1.to(ctx)
st_dec = st_dec.to(ctx)
print(st_enc_0, st_enc_1, st_dec)
# test#1: basic
h0 = F.randn((g.num_nodes(), 50))
h1 = st_enc_0(g, h0)
assert h1.shape == h0.shape
h1 = st_enc_1(g, h0)
assert h1.shape == h0.shape
h2 = st_dec(g, h1)
assert h2.shape[0] == 1 and h2.shape[1] == 200 and h2.dim() == 2
# test#2: batched graph
g1 = graph_with_nodes(5)
g2 = graph_with_nodes(10)
bg = dgl.batch([g, g1, g2])
h0 = F.randn((bg.num_nodes(), 50))
h1 = st_enc_0(bg, h0)
assert h1.shape == h0.shape
h1 = st_enc_1(bg, h0)
assert h1.shape == h0.shape
h2 = st_dec(bg, h1)
assert h2.shape[0] == 3 and h2.shape[1] == 200 and h2.dim() == 2
@parametrize_idtype
@pytest.mark.parametrize("O", [1, 8, 32])
def test_rgcn(idtype, O):
ctx = F.ctx()
etype = []
g = dgl.from_scipy(sp.sparse.random(100, 100, density=0.1))
g = g.astype(idtype).to(F.ctx())
# 5 etypes
R = 5
for i in range(g.num_edges()):
etype.append(i % 5)
B = 2
I = 10
h = th.randn((100, I)).to(ctx)
r = th.tensor(etype).to(ctx)
norm = th.rand((g.num_edges(), 1)).to(ctx)
sorted_r, idx = th.sort(r)
sorted_g = dgl.reorder_graph(
g,
edge_permute_algo="custom",
permute_config={"edges_perm": idx.to(idtype)},
)
sorted_norm = norm[idx]
rgc = nn.RelGraphConv(I, O, R).to(ctx)
th.save(rgc, tmp_buffer) # test pickle
rgc_basis = nn.RelGraphConv(I, O, R, "basis", B).to(ctx)
th.save(rgc_basis, tmp_buffer) # test pickle
if O % B == 0:
rgc_bdd = nn.RelGraphConv(I, O, R, "bdd", B).to(ctx)
th.save(rgc_bdd, tmp_buffer) # test pickle
# basic usage
h_new = rgc(g, h, r)
assert h_new.shape == (100, O)
h_new_basis = rgc_basis(g, h, r)
assert h_new_basis.shape == (100, O)
if O % B == 0:
h_new_bdd = rgc_bdd(g, h, r)
assert h_new_bdd.shape == (100, O)
# sorted input
h_new_sorted = rgc(sorted_g, h, sorted_r, presorted=True)
assert th.allclose(h_new, h_new_sorted, atol=1e-4, rtol=1e-4)
h_new_basis_sorted = rgc_basis(sorted_g, h, sorted_r, presorted=True)
assert th.allclose(h_new_basis, h_new_basis_sorted, atol=1e-4, rtol=1e-4)
if O % B == 0:
h_new_bdd_sorted = rgc_bdd(sorted_g, h, sorted_r, presorted=True)
assert th.allclose(h_new_bdd, h_new_bdd_sorted, atol=1e-4, rtol=1e-4)
# norm input
h_new = rgc(g, h, r, norm)
assert h_new.shape == (100, O)
h_new = rgc_basis(g, h, r, norm)
assert h_new.shape == (100, O)
if O % B == 0:
h_new = rgc_bdd(g, h, r, norm)
assert h_new.shape == (100, O)
@parametrize_idtype
@pytest.mark.parametrize("O", [1, 10, 40])
def test_rgcn_default_nbasis(idtype, O):
ctx = F.ctx()
etype = []
g = dgl.from_scipy(sp.sparse.random(100, 100, density=0.1))
g = g.astype(idtype).to(F.ctx())
# 5 etypes
R = 5
for i in range(g.num_edges()):
etype.append(i % 5)
I = 10
h = th.randn((100, I)).to(ctx)
r = th.tensor(etype).to(ctx)
norm = th.rand((g.num_edges(), 1)).to(ctx)
sorted_r, idx = th.sort(r)
sorted_g = dgl.reorder_graph(
g,
edge_permute_algo="custom",
permute_config={"edges_perm": idx.to(idtype)},
)
sorted_norm = norm[idx]
rgc = nn.RelGraphConv(I, O, R).to(ctx)
th.save(rgc, tmp_buffer) # test pickle
rgc_basis = nn.RelGraphConv(I, O, R, "basis").to(ctx)
th.save(rgc_basis, tmp_buffer) # test pickle
if O % R == 0:
rgc_bdd = nn.RelGraphConv(I, O, R, "bdd").to(ctx)
th.save(rgc_bdd, tmp_buffer) # test pickle
# basic usage
h_new = rgc(g, h, r)
assert h_new.shape == (100, O)
h_new_basis = rgc_basis(g, h, r)
assert h_new_basis.shape == (100, O)
if O % R == 0:
h_new_bdd = rgc_bdd(g, h, r)
assert h_new_bdd.shape == (100, O)
# sorted input
h_new_sorted = rgc(sorted_g, h, sorted_r, presorted=True)
assert th.allclose(h_new, h_new_sorted, atol=1e-4, rtol=1e-4)
h_new_basis_sorted = rgc_basis(sorted_g, h, sorted_r, presorted=True)
assert th.allclose(h_new_basis, h_new_basis_sorted, atol=1e-4, rtol=1e-4)
if O % R == 0:
h_new_bdd_sorted = rgc_bdd(sorted_g, h, sorted_r, presorted=True)
assert th.allclose(h_new_bdd, h_new_bdd_sorted, atol=1e-4, rtol=1e-4)
# norm input
h_new = rgc(g, h, r, norm)
assert h_new.shape == (100, O)
h_new = rgc_basis(g, h, r, norm)
assert h_new.shape == (100, O)
if O % R == 0:
h_new = rgc_bdd(g, h, r, norm)
assert h_new.shape == (100, O)
@parametrize_idtype
@pytest.mark.parametrize(
"g", get_cases(["homo", "block-bipartite"], exclude=["zero-degree"])
)
@pytest.mark.parametrize("out_dim", [1, 5])
@pytest.mark.parametrize("num_heads", [1, 4])
def test_gat_conv(g, idtype, out_dim, num_heads):
ctx = F.ctx()
g = g.astype(idtype).to(ctx)
gat = nn.GATConv(5, out_dim, num_heads)
feat = F.randn((g.number_of_src_nodes(), 5))
gat = gat.to(ctx)
h = gat(g, feat)
# test pickle
th.save(gat, tmp_buffer)
assert h.shape == (g.number_of_dst_nodes(), num_heads, out_dim)
_, a = gat(g, feat, get_attention=True)
assert a.shape == (g.num_edges(), num_heads, 1)
# test residual connection
gat = nn.GATConv(5, out_dim, num_heads, residual=True)
gat = gat.to(ctx)
h = gat(g, feat)
@parametrize_idtype
@pytest.mark.parametrize("g", get_cases(["bipartite"], exclude=["zero-degree"]))
@pytest.mark.parametrize("out_dim", [1, 2])
@pytest.mark.parametrize("num_heads", [1, 4])
def test_gat_conv_bi(g, idtype, out_dim, num_heads):
ctx = F.ctx()
g = g.astype(idtype).to(ctx)
gat = nn.GATConv(5, out_dim, num_heads)
feat = (
F.randn((g.number_of_src_nodes(), 5)),
F.randn((g.number_of_dst_nodes(), 5)),
)
gat = gat.to(ctx)
h = gat(g, feat)
assert h.shape == (g.number_of_dst_nodes(), num_heads, out_dim)
_, a = gat(g, feat, get_attention=True)
assert a.shape == (g.num_edges(), num_heads, 1)
@parametrize_idtype
@pytest.mark.parametrize("g", get_cases(["bipartite"], exclude=["zero-degree"]))
@pytest.mark.parametrize("out_dim", [1, 2])
@pytest.mark.parametrize("num_heads", [1, 4])
def test_gat_conv_edge_weight(g, idtype, out_dim, num_heads):
ctx = F.ctx()
g = g.astype(idtype).to(ctx)
gat = nn.GATConv(5, out_dim, num_heads)
feat = (
F.randn((g.number_of_src_nodes(), 5)),
F.randn((g.number_of_dst_nodes(), 5)),
)
gat = gat.to(ctx)
ew = F.randn((g.num_edges(),))
h = gat(g, feat, edge_weight=ew)
assert h.shape == (g.number_of_dst_nodes(), num_heads, out_dim)
_, a = gat(g, feat, get_attention=True)
assert a.shape[0] == ew.shape[0]
assert a.shape == (g.num_edges(), num_heads, 1)
@parametrize_idtype
@pytest.mark.parametrize(
"g", get_cases(["homo", "block-bipartite"], exclude=["zero-degree"])
)
@pytest.mark.parametrize("out_dim", [1, 5])
@pytest.mark.parametrize("num_heads", [1, 4])
def test_gatv2_conv(g, idtype, out_dim, num_heads):
g = g.astype(idtype).to(F.ctx())
ctx = F.ctx()
gat = nn.GATv2Conv(5, out_dim, num_heads)
feat = F.randn((g.number_of_src_nodes(), 5))
gat = gat.to(ctx)
h = gat(g, feat)
# test pickle
th.save(gat, tmp_buffer)
assert h.shape == (g.number_of_dst_nodes(), num_heads, out_dim)
_, a = gat(g, feat, get_attention=True)
assert a.shape == (g.num_edges(), num_heads, 1)
# test residual connection
gat = nn.GATConv(5, out_dim, num_heads, residual=True)
gat = gat.to(ctx)
h = gat(g, feat)
@parametrize_idtype
@pytest.mark.parametrize("g", get_cases(["bipartite"], exclude=["zero-degree"]))
@pytest.mark.parametrize("out_dim", [1, 2])
@pytest.mark.parametrize("num_heads", [1, 4])
def test_gatv2_conv_bi(g, idtype, out_dim, num_heads):
g = g.astype(idtype).to(F.ctx())
ctx = F.ctx()
gat = nn.GATv2Conv(5, out_dim, num_heads)
feat = (
F.randn((g.number_of_src_nodes(), 5)),
F.randn((g.number_of_dst_nodes(), 5)),
)
gat = gat.to(ctx)
h = gat(g, feat)
assert h.shape == (g.number_of_dst_nodes(), num_heads, out_dim)
_, a = gat(g, feat, get_attention=True)
assert a.shape == (g.num_edges(), num_heads, 1)
@parametrize_idtype
@pytest.mark.parametrize("g", get_cases(["homo"], exclude=["zero-degree"]))
@pytest.mark.parametrize("out_node_feats", [1, 5])
@pytest.mark.parametrize("out_edge_feats", [1, 5])
@pytest.mark.parametrize("num_heads", [1, 4])
def test_egat_conv(g, idtype, out_node_feats, out_edge_feats, num_heads):
ctx = F.ctx()
g = g.astype(idtype).to(ctx)
egat = nn.EGATConv(
in_node_feats=10,
in_edge_feats=5,
out_node_feats=out_node_feats,
out_edge_feats=out_edge_feats,
num_heads=num_heads,
)
nfeat = F.randn((g.num_nodes(), 10))
efeat = F.randn((g.num_edges(), 5))
egat = egat.to(ctx)
h, f = egat(g, nfeat, efeat)
th.save(egat, tmp_buffer)
assert h.shape == (g.num_nodes(), num_heads, out_node_feats)
assert f.shape == (g.num_edges(), num_heads, out_edge_feats)
_, _, attn = egat(g, nfeat, efeat, get_attention=True)
assert attn.shape == (g.num_edges(), num_heads, 1)
@parametrize_idtype
@pytest.mark.parametrize("g", get_cases(["bipartite"], exclude=["zero-degree"]))
@pytest.mark.parametrize("out_node_feats", [1, 5])
@pytest.mark.parametrize("out_edge_feats", [1, 5])
@pytest.mark.parametrize("num_heads", [1, 4])
def test_egat_conv_bi(g, idtype, out_node_feats, out_edge_feats, num_heads):
ctx = F.ctx()
g = g.astype(idtype).to(ctx)
egat = nn.EGATConv(
in_node_feats=(10, 15),
in_edge_feats=7,
out_node_feats=out_node_feats,
out_edge_feats=out_edge_feats,
num_heads=num_heads,
)
nfeat = (
F.randn((g.number_of_src_nodes(), 10)),
F.randn((g.number_of_dst_nodes(), 15)),
)
efeat = F.randn((g.num_edges(), 7))
egat = egat.to(ctx)
h, f = egat(g, nfeat, efeat)
th.save(egat, tmp_buffer)
assert h.shape == (g.number_of_dst_nodes(), num_heads, out_node_feats)
assert f.shape == (g.num_edges(), num_heads, out_edge_feats)
_, _, attn = egat(g, nfeat, efeat, get_attention=True)
assert attn.shape == (g.num_edges(), num_heads, 1)
@parametrize_idtype
@pytest.mark.parametrize("g", get_cases(["homo"], exclude=["zero-degree"]))
@pytest.mark.parametrize("out_node_feats", [1, 5])
@pytest.mark.parametrize("out_edge_feats", [1, 5])
@pytest.mark.parametrize("num_heads", [1, 4])
def test_egat_conv_edge_weight(
g, idtype, out_node_feats, out_edge_feats, num_heads
):
ctx = F.ctx()
g = g.astype(idtype).to(ctx)
egat = nn.EGATConv(
in_node_feats=10,
in_edge_feats=5,
out_node_feats=out_node_feats,
out_edge_feats=out_edge_feats,
num_heads=num_heads,
)
egat = egat.to(ctx)
nfeat = F.randn((g.num_nodes(), 10))
efeat = F.randn((g.num_edges(), 5))
ew = F.randn((g.num_edges(),))
h, f, attn = egat(g, nfeat, efeat, edge_weight=ew, get_attention=True)
assert h.shape == (g.num_nodes(), num_heads, out_node_feats)
assert f.shape == (g.num_edges(), num_heads, out_edge_feats)
assert attn.shape == (g.num_edges(), num_heads, 1)
@parametrize_idtype
@pytest.mark.parametrize("g", get_cases(["homo"], exclude=["zero-degree"]))
@pytest.mark.parametrize("out_feats", [1, 5])
@pytest.mark.parametrize("num_heads", [1, 4])
def test_edgegat_conv(g, idtype, out_feats, num_heads):
ctx = F.ctx()
g = g.astype(idtype).to(ctx)
edgegat = nn.EdgeGATConv(
in_feats=10, edge_feats=5, out_feats=out_feats, num_heads=num_heads
)
nfeat = F.randn((g.number_of_nodes(), 10))
efeat = F.randn((g.number_of_edges(), 5))
edgegat = edgegat.to(ctx)
h = edgegat(g, nfeat, efeat)
th.save(edgegat, tmp_buffer)
assert h.shape == (g.number_of_nodes(), num_heads, out_feats)
_, attn = edgegat(g, nfeat, efeat, True)
assert attn.shape == (g.number_of_edges(), num_heads, 1)
@parametrize_idtype
@pytest.mark.parametrize("g", get_cases(["bipartite"], exclude=["zero-degree"]))
@pytest.mark.parametrize("out_feats", [1, 5])
@pytest.mark.parametrize("num_heads", [1, 4])
def test_edgegat_conv_bi(g, idtype, out_feats, num_heads):
ctx = F.ctx()
g = g.astype(idtype).to(ctx)
edgegat = nn.EdgeGATConv(
in_feats=(10, 15),
edge_feats=7,
out_feats=out_feats,
num_heads=num_heads,
)
nfeat = (
F.randn((g.number_of_src_nodes(), 10)),
F.randn((g.number_of_dst_nodes(), 15)),
)
efeat = F.randn((g.number_of_edges(), 7))
edgegat = edgegat.to(ctx)
h = edgegat(g, nfeat, efeat)
th.save(edgegat, tmp_buffer)
assert h.shape == (g.number_of_dst_nodes(), num_heads, out_feats)
_, attn = edgegat(g, nfeat, efeat, True)
assert attn.shape == (g.number_of_edges(), num_heads, 1)
@parametrize_idtype
@pytest.mark.parametrize("g", get_cases(["homo", "block-bipartite"]))
@pytest.mark.parametrize("aggre_type", ["mean", "pool", "gcn", "lstm"])
def test_sage_conv(idtype, g, aggre_type):
g = g.astype(idtype).to(F.ctx())
sage = nn.SAGEConv(5, 10, aggre_type)
feat = F.randn((g.number_of_src_nodes(), 5))
sage = sage.to(F.ctx())
# test pickle
th.save(sage, tmp_buffer)
h = sage(g, feat)
assert h.shape[-1] == 10
@parametrize_idtype
@pytest.mark.parametrize("g", get_cases(["bipartite"]))
@pytest.mark.parametrize("aggre_type", ["mean", "pool", "gcn", "lstm"])
@pytest.mark.parametrize("out_dim", [1, 2])
def test_sage_conv_bi(idtype, g, aggre_type, out_dim):
g = g.astype(idtype).to(F.ctx())
dst_dim = 5 if aggre_type != "gcn" else 10
sage = nn.SAGEConv((10, dst_dim), out_dim, aggre_type)
feat = (
F.randn((g.number_of_src_nodes(), 10)),
F.randn((g.number_of_dst_nodes(), dst_dim)),
)
sage = sage.to(F.ctx())
h = sage(g, feat)
assert h.shape[-1] == out_dim
assert h.shape[0] == g.number_of_dst_nodes()
@parametrize_idtype
@pytest.mark.parametrize("out_dim", [1, 2])
def test_sage_conv2(idtype, out_dim):
# TODO: add test for blocks
# Test the case for graphs without edges
g = dgl.heterograph({("_U", "_E", "_V"): ([], [])}, {"_U": 5, "_V": 3})
g = g.astype(idtype).to(F.ctx())
ctx = F.ctx()
sage = nn.SAGEConv((3, 3), out_dim, "gcn")
feat = (F.randn((5, 3)), F.randn((3, 3)))
sage = sage.to(ctx)
h = sage(g, (F.copy_to(feat[0], F.ctx()), F.copy_to(feat[1], F.ctx())))
assert h.shape[-1] == out_dim
assert h.shape[0] == 3
for aggre_type in ["mean", "pool", "lstm"]:
sage = nn.SAGEConv((3, 1), out_dim, aggre_type)
feat = (F.randn((5, 3)), F.randn((3, 1)))
sage = sage.to(ctx)
h = sage(g, feat)
assert h.shape[-1] == out_dim
assert h.shape[0] == 3
@parametrize_idtype
@pytest.mark.parametrize("g", get_cases(["homo"], exclude=["zero-degree"]))
@pytest.mark.parametrize("out_dim", [1, 2])
def test_sgc_conv(g, idtype, out_dim):
ctx = F.ctx()
g = g.astype(idtype).to(ctx)
# not cached
sgc = nn.SGConv(5, out_dim, 3)
# test pickle
th.save(sgc, tmp_buffer)
feat = F.randn((g.num_nodes(), 5))
sgc = sgc.to(ctx)
h = sgc(g, feat)
assert h.shape[-1] == out_dim
# cached
sgc = nn.SGConv(5, out_dim, 3, True)
sgc = sgc.to(ctx)
h_0 = sgc(g, feat)
h_1 = sgc(g, feat + 1)
assert F.allclose(h_0, h_1)
assert h_0.shape[-1] == out_dim
@parametrize_idtype
@pytest.mark.parametrize("g", get_cases(["homo"], exclude=["zero-degree"]))
def test_appnp_conv(g, idtype):
ctx = F.ctx()
g = g.astype(idtype).to(ctx)
appnp = nn.APPNPConv(10, 0.1)
feat = F.randn((g.num_nodes(), 5))
appnp = appnp.to(ctx)
# test pickle
th.save(appnp, tmp_buffer)
h = appnp(g, feat)
assert h.shape[-1] == 5
@parametrize_idtype
@pytest.mark.parametrize("g", get_cases(["homo"], exclude=["zero-degree"]))
def test_appnp_conv_e_weight(g, idtype):
ctx = F.ctx()
g = g.astype(idtype).to(ctx)
appnp = nn.APPNPConv(10, 0.1)
feat = F.randn((g.num_nodes(), 5))
eweight = F.ones((g.num_edges(),))
appnp = appnp.to(ctx)
h = appnp(g, feat, edge_weight=eweight)
assert h.shape[-1] == 5
@parametrize_idtype
@pytest.mark.parametrize("g", get_cases(["homo"], exclude=["zero-degree"]))
@pytest.mark.parametrize("bias", [True, False])
def test_gcn2conv_e_weight(g, idtype, bias):
ctx = F.ctx()
g = g.astype(idtype).to(ctx)
gcn2conv = nn.GCN2Conv(
5, layer=2, alpha=0.5, bias=bias, project_initial_features=True
)
feat = F.randn((g.num_nodes(), 5))
eweight = F.ones((g.num_edges(),))
gcn2conv = gcn2conv.to(ctx)
res = feat
h = gcn2conv(g, res, feat, edge_weight=eweight)
assert h.shape[-1] == 5
assert re.match(
re.compile(".*GCN2Conv.*in=.*, alpha=.*, beta=.*"), str(gcn2conv)
)
@parametrize_idtype
@pytest.mark.parametrize("g", get_cases(["homo"], exclude=["zero-degree"]))
def test_sgconv_e_weight(g, idtype):
ctx = F.ctx()
g = g.astype(idtype).to(ctx)
sgconv = nn.SGConv(5, 5, 3)
feat = F.randn((g.num_nodes(), 5))
eweight = F.ones((g.num_edges(),))
sgconv = sgconv.to(ctx)
h = sgconv(g, feat, edge_weight=eweight)
assert h.shape[-1] == 5
@parametrize_idtype
@pytest.mark.parametrize("g", get_cases(["homo"], exclude=["zero-degree"]))
def test_tagconv_e_weight(g, idtype):
ctx = F.ctx()
g = g.astype(idtype).to(ctx)
conv = nn.TAGConv(5, 5, bias=True)
conv = conv.to(ctx)
feat = F.randn((g.num_nodes(), 5))
eweight = F.ones((g.num_edges(),))
conv = conv.to(ctx)
h = conv(g, feat, edge_weight=eweight)
assert h.shape[-1] == 5
@parametrize_idtype
@pytest.mark.parametrize(
"g", get_cases(["homo", "block-bipartite"], exclude=["zero-degree"])
)
@pytest.mark.parametrize("aggregator_type", ["mean", "max", "sum"])
def test_gin_conv(g, idtype, aggregator_type):
g = g.astype(idtype).to(F.ctx())
ctx = F.ctx()
gin = nn.GINConv(th.nn.Linear(5, 12), aggregator_type)
th.save(gin, tmp_buffer)
feat = F.randn((g.number_of_src_nodes(), 5))
gin = gin.to(ctx)
h = gin(g, feat)
# test pickle
th.save(gin, tmp_buffer)
assert h.shape == (g.number_of_dst_nodes(), 12)
gin = nn.GINConv(None, aggregator_type)
th.save(gin, tmp_buffer)
gin = gin.to(ctx)
h = gin(g, feat)
@parametrize_idtype
@pytest.mark.parametrize("g", get_cases(["homo", "block-bipartite"]))
def test_gine_conv(g, idtype):
ctx = F.ctx()
g = g.astype(idtype).to(ctx)
gine = nn.GINEConv(th.nn.Linear(5, 12))
th.save(gine, tmp_buffer)
nfeat = F.randn((g.number_of_src_nodes(), 5))
efeat = F.randn((g.num_edges(), 5))
gine = gine.to(ctx)
h = gine(g, nfeat, efeat)
# test pickle
th.save(gine, tmp_buffer)
assert h.shape == (g.number_of_dst_nodes(), 12)
gine = nn.GINEConv(None)
th.save(gine, tmp_buffer)
gine = gine.to(ctx)
h = gine(g, nfeat, efeat)
@parametrize_idtype
@pytest.mark.parametrize("g", get_cases(["bipartite"], exclude=["zero-degree"]))
@pytest.mark.parametrize("aggregator_type", ["mean", "max", "sum"])
def test_gin_conv_bi(g, idtype, aggregator_type):
g = g.astype(idtype).to(F.ctx())
ctx = F.ctx()
gin = nn.GINConv(th.nn.Linear(5, 12), aggregator_type)
feat = (
F.randn((g.number_of_src_nodes(), 5)),
F.randn((g.number_of_dst_nodes(), 5)),
)
gin = gin.to(ctx)
h = gin(g, feat)
assert h.shape == (g.number_of_dst_nodes(), 12)
@parametrize_idtype
@pytest.mark.parametrize(
"g", get_cases(["homo", "block-bipartite"], exclude=["zero-degree"])
)
def test_agnn_conv(g, idtype):
g = g.astype(idtype).to(F.ctx())
ctx = F.ctx()
agnn = nn.AGNNConv(1)
feat = F.randn((g.number_of_src_nodes(), 5))
agnn = agnn.to(ctx)
h = agnn(g, feat)
assert h.shape == (g.number_of_dst_nodes(), 5)
@parametrize_idtype
@pytest.mark.parametrize("g", get_cases(["bipartite"], exclude=["zero-degree"]))
def test_agnn_conv_bi(g, idtype):
g = g.astype(idtype).to(F.ctx())
ctx = F.ctx()
agnn = nn.AGNNConv(1)
feat = (
F.randn((g.number_of_src_nodes(), 5)),
F.randn((g.number_of_dst_nodes(), 5)),
)
agnn = agnn.to(ctx)
h = agnn(g, feat)
assert h.shape == (g.number_of_dst_nodes(), 5)
@parametrize_idtype
@pytest.mark.parametrize("g", get_cases(["homo"], exclude=["zero-degree"]))
def test_gated_graph_conv(g, idtype):
ctx = F.ctx()
g = g.astype(idtype).to(ctx)
ggconv = nn.GatedGraphConv(5, 10, 5, 3)
etypes = th.arange(g.num_edges()) % 3
feat = F.randn((g.num_nodes(), 5))
ggconv = ggconv.to(ctx)
etypes = etypes.to(ctx)
h = ggconv(g, feat, etypes)
# current we only do shape check
assert h.shape[-1] == 10
@parametrize_idtype
@pytest.mark.parametrize("g", get_cases(["homo"], exclude=["zero-degree"]))
def test_gated_graph_conv_one_etype(g, idtype):
ctx = F.ctx()
g = g.astype(idtype).to(ctx)
ggconv = nn.GatedGraphConv(5, 10, 5, 1)
etypes = th.zeros(g.num_edges())
feat = F.randn((g.num_nodes(), 5))
ggconv = ggconv.to(ctx)
etypes = etypes.to(ctx)
h = ggconv(g, feat, etypes)
h2 = ggconv(g, feat)
# current we only do shape check
assert F.allclose(h, h2)
assert h.shape[-1] == 10
@parametrize_idtype
@pytest.mark.parametrize(
"g", get_cases(["homo", "block-bipartite"], exclude=["zero-degree"])
)
def test_nn_conv(g, idtype):
g = g.astype(idtype).to(F.ctx())
ctx = F.ctx()
edge_func = th.nn.Linear(4, 5 * 10)
nnconv = nn.NNConv(5, 10, edge_func, "mean")
feat = F.randn((g.number_of_src_nodes(), 5))
efeat = F.randn((g.num_edges(), 4))
nnconv = nnconv.to(ctx)
h = nnconv(g, feat, efeat)
# currently we only do shape check
assert h.shape[-1] == 10
@parametrize_idtype
@pytest.mark.parametrize("g", get_cases(["bipartite"], exclude=["zero-degree"]))
def test_nn_conv_bi(g, idtype):
g = g.astype(idtype).to(F.ctx())
ctx = F.ctx()
edge_func = th.nn.Linear(4, 5 * 10)
nnconv = nn.NNConv((5, 2), 10, edge_func, "mean")
feat = F.randn((g.number_of_src_nodes(), 5))
feat_dst = F.randn((g.number_of_dst_nodes(), 2))
efeat = F.randn((g.num_edges(), 4))
nnconv = nnconv.to(ctx)
h = nnconv(g, (feat, feat_dst), efeat)
# currently we only do shape check
assert h.shape[-1] == 10
@parametrize_idtype
@pytest.mark.parametrize("g", get_cases(["homo"], exclude=["zero-degree"]))
def test_gmm_conv(g, idtype):
g = g.astype(idtype).to(F.ctx())
ctx = F.ctx()
gmmconv = nn.GMMConv(5, 10, 3, 4, "mean")
feat = F.randn((g.num_nodes(), 5))
pseudo = F.randn((g.num_edges(), 3))
gmmconv = gmmconv.to(ctx)
h = gmmconv(g, feat, pseudo)
# currently we only do shape check
assert h.shape[-1] == 10
@parametrize_idtype
@pytest.mark.parametrize(
"g", get_cases(["bipartite", "block-bipartite"], exclude=["zero-degree"])
)
def test_gmm_conv_bi(g, idtype):
g = g.astype(idtype).to(F.ctx())
ctx = F.ctx()
gmmconv = nn.GMMConv((5, 2), 10, 3, 4, "mean")
feat = F.randn((g.number_of_src_nodes(), 5))
feat_dst = F.randn((g.number_of_dst_nodes(), 2))
pseudo = F.randn((g.num_edges(), 3))
gmmconv = gmmconv.to(ctx)
h = gmmconv(g, (feat, feat_dst), pseudo)
# currently we only do shape check
assert h.shape[-1] == 10
@parametrize_idtype
@pytest.mark.parametrize("norm_type", ["both", "right", "none"])
@pytest.mark.parametrize(
"g", get_cases(["homo", "bipartite"], exclude=["zero-degree"])
)
@pytest.mark.parametrize("out_dim", [1, 2])
def test_dense_graph_conv(norm_type, g, idtype, out_dim):
g = g.astype(idtype).to(F.ctx())
ctx = F.ctx()
# TODO(minjie): enable the following option after #1385
adj = g.adj_external(transpose=True, ctx=ctx).to_dense()
conv = nn.GraphConv(5, out_dim, norm=norm_type, bias=True)
dense_conv = nn.DenseGraphConv(5, out_dim, norm=norm_type, bias=True)
dense_conv.weight.data = conv.weight.data
dense_conv.bias.data = conv.bias.data
feat = F.randn((g.number_of_src_nodes(), 5))
conv = conv.to(ctx)
dense_conv = dense_conv.to(ctx)
out_conv = conv(g, feat)
out_dense_conv = dense_conv(adj, feat)
assert F.allclose(out_conv, out_dense_conv)
@parametrize_idtype
@pytest.mark.parametrize("g", get_cases(["homo", "bipartite"]))
@pytest.mark.parametrize("out_dim", [1, 2])
def test_dense_sage_conv(g, idtype, out_dim):
g = g.astype(idtype).to(F.ctx())
ctx = F.ctx()
adj = g.adj_external(transpose=True, ctx=ctx).to_dense()
sage = nn.SAGEConv(5, out_dim, "gcn")
dense_sage = nn.DenseSAGEConv(5, out_dim)
dense_sage.fc.weight.data = sage.fc_neigh.weight.data
dense_sage.fc.bias.data = sage.bias.data
if len(g.ntypes) == 2:
feat = (
F.randn((g.number_of_src_nodes(), 5)),
F.randn((g.number_of_dst_nodes(), 5)),
)
else:
feat = F.randn((g.num_nodes(), 5))
sage = sage.to(ctx)
dense_sage = dense_sage.to(ctx)
out_sage = sage(g, feat)
out_dense_sage = dense_sage(adj, feat)
assert F.allclose(out_sage, out_dense_sage), g
@parametrize_idtype
@pytest.mark.parametrize(
"g", get_cases(["homo", "block-bipartite"], exclude=["zero-degree"])
)
@pytest.mark.parametrize("out_dim", [1, 2])
def test_edge_conv(g, idtype, out_dim):
g = g.astype(idtype).to(F.ctx())
ctx = F.ctx()
edge_conv = nn.EdgeConv(5, out_dim).to(ctx)
print(edge_conv)
# test pickle
th.save(edge_conv, tmp_buffer)
h0 = F.randn((g.number_of_src_nodes(), 5))
h1 = edge_conv(g, h0)
assert h1.shape == (g.number_of_dst_nodes(), out_dim)
@parametrize_idtype
@pytest.mark.parametrize("g", get_cases(["bipartite"], exclude=["zero-degree"]))
@pytest.mark.parametrize("out_dim", [1, 2])
def test_edge_conv_bi(g, idtype, out_dim):
g = g.astype(idtype).to(F.ctx())
ctx = F.ctx()
edge_conv = nn.EdgeConv(5, out_dim).to(ctx)
print(edge_conv)
h0 = F.randn((g.number_of_src_nodes(), 5))
x0 = F.randn((g.number_of_dst_nodes(), 5))
h1 = edge_conv(g, (h0, x0))
assert h1.shape == (g.number_of_dst_nodes(), out_dim)
@parametrize_idtype
@pytest.mark.parametrize(
"g", get_cases(["homo", "block-bipartite"], exclude=["zero-degree"])
)
@pytest.mark.parametrize("out_dim", [1, 2])
@pytest.mark.parametrize("num_heads", [1, 4])
def test_dotgat_conv(g, idtype, out_dim, num_heads):
g = g.astype(idtype).to(F.ctx())
ctx = F.ctx()
dotgat = nn.DotGatConv(5, out_dim, num_heads)
feat = F.randn((g.number_of_src_nodes(), 5))
dotgat = dotgat.to(ctx)
# test pickle
th.save(dotgat, tmp_buffer)
h = dotgat(g, feat)
assert h.shape == (g.number_of_dst_nodes(), num_heads, out_dim)
_, a = dotgat(g, feat, get_attention=True)
assert a.shape == (g.num_edges(), num_heads, 1)
@parametrize_idtype
@pytest.mark.parametrize("g", get_cases(["bipartite"], exclude=["zero-degree"]))
@pytest.mark.parametrize("out_dim", [1, 2])
@pytest.mark.parametrize("num_heads", [1, 4])
def test_dotgat_conv_bi(g, idtype, out_dim, num_heads):
g = g.astype(idtype).to(F.ctx())
ctx = F.ctx()
dotgat = nn.DotGatConv((5, 5), out_dim, num_heads)
feat = (
F.randn((g.number_of_src_nodes(), 5)),
F.randn((g.number_of_dst_nodes(), 5)),
)
dotgat = dotgat.to(ctx)
h = dotgat(g, feat)
assert h.shape == (g.number_of_dst_nodes(), num_heads, out_dim)
_, a = dotgat(g, feat, get_attention=True)
assert a.shape == (g.num_edges(), num_heads, 1)
@pytest.mark.parametrize("out_dim", [1, 2])
def test_dense_cheb_conv(out_dim):
for k in range(1, 4):
ctx = F.ctx()
g = dgl.from_scipy(sp.sparse.random(100, 100, density=0.1))
g = g.to(F.ctx())
adj = g.adj_external(transpose=True, ctx=ctx).to_dense()
cheb = nn.ChebConv(5, out_dim, k, None)
dense_cheb = nn.DenseChebConv(5, out_dim, k)
# for i in range(len(cheb.fc)):
# dense_cheb.W.data[i] = cheb.fc[i].weight.data.t()
dense_cheb.W.data = cheb.linear.weight.data.transpose(-1, -2).view(
k, 5, out_dim
)
if cheb.linear.bias is not None:
dense_cheb.bias.data = cheb.linear.bias.data
feat = F.randn((100, 5))
cheb = cheb.to(ctx)
dense_cheb = dense_cheb.to(ctx)
out_cheb = cheb(g, feat, [2.0])
out_dense_cheb = dense_cheb(adj, feat, 2.0)
print(k, out_cheb, out_dense_cheb)
assert F.allclose(out_cheb, out_dense_cheb)
def test_sequential():
ctx = F.ctx()
# Test single graph
class ExampleLayer(th.nn.Module):
def __init__(self):
super().__init__()
def forward(self, graph, n_feat, e_feat):
graph = graph.local_var()
graph.ndata["h"] = n_feat
graph.update_all(fn.copy_u("h", "m"), fn.sum("m", "h"))
n_feat += graph.ndata["h"]
graph.apply_edges(fn.u_add_v("h", "h", "e"))
e_feat += graph.edata["e"]
return n_feat, e_feat
g = dgl.graph([])
g.add_nodes(3)
g.add_edges([0, 1, 2, 0, 1, 2, 0, 1, 2], [0, 0, 0, 1, 1, 1, 2, 2, 2])
g = g.to(F.ctx())
net = nn.Sequential(ExampleLayer(), ExampleLayer(), ExampleLayer())
n_feat = F.randn((3, 4))
e_feat = F.randn((9, 4))
net = net.to(ctx)
n_feat, e_feat = net(g, n_feat, e_feat)
assert n_feat.shape == (3, 4)
assert e_feat.shape == (9, 4)
# Test multiple graph
class ExampleLayer(th.nn.Module):
def __init__(self):
super().__init__()
def forward(self, graph, n_feat):
graph = graph.local_var()
graph.ndata["h"] = n_feat
graph.update_all(fn.copy_u("h", "m"), fn.sum("m", "h"))
n_feat += graph.ndata["h"]
return n_feat.view(graph.num_nodes() // 2, 2, -1).sum(1)
g1 = dgl.from_networkx(nx.erdos_renyi_graph(32, 0.05)).to(ctx)
g2 = dgl.from_networkx(nx.erdos_renyi_graph(16, 0.2)).to(ctx)
g3 = dgl.from_networkx(nx.erdos_renyi_graph(8, 0.8)).to(ctx)
net = nn.Sequential(ExampleLayer(), ExampleLayer(), ExampleLayer())
net = net.to(ctx)
n_feat = F.randn((32, 4))
n_feat = net([g1, g2, g3], n_feat)
assert n_feat.shape == (4, 4)
@parametrize_idtype
@pytest.mark.parametrize("g", get_cases(["homo"], exclude=["zero-degree"]))
def test_atomic_conv(g, idtype):
g = g.astype(idtype).to(F.ctx())
aconv = nn.AtomicConv(
interaction_cutoffs=F.tensor([12.0, 12.0]),
rbf_kernel_means=F.tensor([0.0, 2.0]),
rbf_kernel_scaling=F.tensor([4.0, 4.0]),
features_to_use=F.tensor([6.0, 8.0]),
)
ctx = F.ctx()
if F.gpu_ctx():
aconv = aconv.to(ctx)
feat = F.randn((g.num_nodes(), 1))
dist = F.randn((g.num_edges(), 1))
h = aconv(g, feat, dist)
# current we only do shape check
assert h.shape[-1] == 4
@parametrize_idtype
@pytest.mark.parametrize(
"g", get_cases(["homo", "bipartite"], exclude=["zero-degree"])
)
@pytest.mark.parametrize("out_dim", [1, 3])
def test_cf_conv(g, idtype, out_dim):
g = g.astype(idtype).to(F.ctx())
cfconv = nn.CFConv(
node_in_feats=2, edge_in_feats=3, hidden_feats=2, out_feats=out_dim
)
ctx = F.ctx()
if F.gpu_ctx():
cfconv = cfconv.to(ctx)
src_feats = F.randn((g.number_of_src_nodes(), 2))
edge_feats = F.randn((g.num_edges(), 3))
h = cfconv(g, src_feats, edge_feats)
# current we only do shape check
assert h.shape[-1] == out_dim
# case for bipartite graphs
dst_feats = F.randn((g.number_of_dst_nodes(), 3))
h = cfconv(g, (src_feats, dst_feats), edge_feats)
# current we only do shape check
assert h.shape[-1] == out_dim
def myagg(alist, dsttype):
rst = alist[0]
for i in range(1, len(alist)):
rst = rst + (i + 1) * alist[i]
return rst
@parametrize_idtype
@pytest.mark.parametrize("agg", ["sum", "max", "min", "mean", "stack", myagg])
@pytest.mark.parametrize("canonical_keys", [False, True])
def test_hetero_conv(agg, idtype, canonical_keys):
g = dgl.heterograph(
{
("user", "follows", "user"): ([0, 0, 2, 1], [1, 2, 1, 3]),
("user", "plays", "game"): ([0, 0, 0, 1, 2], [0, 2, 3, 0, 2]),
("store", "sells", "game"): ([0, 0, 1, 1], [0, 3, 1, 2]),
},
idtype=idtype,
device=F.ctx(),
)
if not canonical_keys:
conv = nn.HeteroGraphConv(
{
"follows": nn.GraphConv(2, 3, allow_zero_in_degree=True),
"plays": nn.GraphConv(2, 4, allow_zero_in_degree=True),
"sells": nn.GraphConv(3, 4, allow_zero_in_degree=True),
},
agg,
)
else:
conv = nn.HeteroGraphConv(
{
("user", "follows", "user"): nn.GraphConv(
2, 3, allow_zero_in_degree=True
),
("user", "plays", "game"): nn.GraphConv(
2, 4, allow_zero_in_degree=True
),
("store", "sells", "game"): nn.GraphConv(
3, 4, allow_zero_in_degree=True
),
},
agg,
)
conv = conv.to(F.ctx())
# test pickle
th.save(conv, tmp_buffer)
uf = F.randn((4, 2))
gf = F.randn((4, 4))
sf = F.randn((2, 3))
h = conv(g, {"user": uf, "game": gf, "store": sf})
assert set(h.keys()) == {"user", "game"}
if agg != "stack":
assert h["user"].shape == (4, 3)
assert h["game"].shape == (4, 4)
else:
assert h["user"].shape == (4, 1, 3)
assert h["game"].shape == (4, 2, 4)
block = dgl.to_block(
g.to(F.cpu()), {"user": [0, 1, 2, 3], "game": [0, 1, 2, 3], "store": []}
).to(F.ctx())
h = conv(
block,
(
{"user": uf, "game": gf, "store": sf},
{"user": uf, "game": gf, "store": sf[0:0]},
),
)
assert set(h.keys()) == {"user", "game"}
if agg != "stack":
assert h["user"].shape == (4, 3)
assert h["game"].shape == (4, 4)
else:
assert h["user"].shape == (4, 1, 3)
assert h["game"].shape == (4, 2, 4)
h = conv(block, {"user": uf, "game": gf, "store": sf})
assert set(h.keys()) == {"user", "game"}
if agg != "stack":
assert h["user"].shape == (4, 3)
assert h["game"].shape == (4, 4)
else:
assert h["user"].shape == (4, 1, 3)
assert h["game"].shape == (4, 2, 4)
# test with mod args
class MyMod(th.nn.Module):
def __init__(self, s1, s2):
super(MyMod, self).__init__()
self.carg1 = 0
self.carg2 = 0
self.s1 = s1
self.s2 = s2
def forward(self, g, h, arg1=None, *, arg2=None):
if arg1 is not None:
self.carg1 += 1
if arg2 is not None:
self.carg2 += 1
return th.zeros((g.number_of_dst_nodes(), self.s2))
mod1 = MyMod(2, 3)
mod2 = MyMod(2, 4)
mod3 = MyMod(3, 4)
conv = nn.HeteroGraphConv(
{"follows": mod1, "plays": mod2, "sells": mod3}, agg
)
conv = conv.to(F.ctx())
mod_args = {"follows": (1,), "plays": (1,)}
mod_kwargs = {"sells": {"arg2": "abc"}}
h = conv(
g,
{"user": uf, "game": gf, "store": sf},
mod_args=mod_args,
mod_kwargs=mod_kwargs,
)
assert mod1.carg1 == 1
assert mod1.carg2 == 0
assert mod2.carg1 == 1
assert mod2.carg2 == 0
assert mod3.carg1 == 0
assert mod3.carg2 == 1
# conv on graph without any edges
for etype in g.etypes:
g = dgl.remove_edges(g, g.edges(form="eid", etype=etype), etype=etype)
assert g.num_edges() == 0
h = conv(g, {"user": uf, "game": gf, "store": sf})
assert set(h.keys()) == {"user", "game"}
block = dgl.to_block(
g.to(F.cpu()), {"user": [0, 1, 2, 3], "game": [0, 1, 2, 3], "store": []}
).to(F.ctx())
h = conv(
block,
(
{"user": uf, "game": gf, "store": sf},
{"user": uf, "game": gf, "store": sf[0:0]},
),
)
assert set(h.keys()) == {"user", "game"}
@pytest.mark.parametrize("out_dim", [1, 2, 100])
def test_hetero_linear(out_dim):
in_feats = {
"user": F.randn((2, 1)),
("user", "follows", "user"): F.randn((3, 2)),
}
layer = nn.HeteroLinear(
{"user": 1, ("user", "follows", "user"): 2}, out_dim
)
layer = layer.to(F.ctx())
out_feats = layer(in_feats)
assert out_feats["user"].shape == (2, out_dim)
assert out_feats[("user", "follows", "user")].shape == (3, out_dim)
@pytest.mark.parametrize("out_dim", [1, 2, 100])
def test_hetero_embedding(out_dim):
layer = nn.HeteroEmbedding(
{"user": 2, ("user", "follows", "user"): 3}, out_dim
)
layer = layer.to(F.ctx())
embeds = layer.weight
assert embeds["user"].shape == (2, out_dim)
assert embeds[("user", "follows", "user")].shape == (3, out_dim)
layer.reset_parameters()
embeds = layer.weight
assert embeds["user"].shape == (2, out_dim)
assert embeds[("user", "follows", "user")].shape == (3, out_dim)
embeds = layer(
{
"user": F.tensor([0], dtype=F.int64),
("user", "follows", "user"): F.tensor([0, 2], dtype=F.int64),
}
)
assert embeds["user"].shape == (1, out_dim)
assert embeds[("user", "follows", "user")].shape == (2, out_dim)
@parametrize_idtype
@pytest.mark.parametrize("g", get_cases(["homo"], exclude=["zero-degree"]))
@pytest.mark.parametrize("out_dim", [1, 2])
def test_gnnexplainer(g, idtype, out_dim):
g = g.astype(idtype).to(F.ctx())
feat = F.randn((g.num_nodes(), 5))
class Model(th.nn.Module):
def __init__(self, in_feats, out_feats, graph=False):
super(Model, self).__init__()
self.linear = th.nn.Linear(in_feats, out_feats)
if graph:
self.pool = nn.AvgPooling()
else:
self.pool = None
def forward(self, graph, feat, eweight=None):
with graph.local_scope():
feat = self.linear(feat)
graph.ndata["h"] = feat
if eweight is None:
graph.update_all(fn.copy_u("h", "m"), fn.sum("m", "h"))
else:
graph.edata["w"] = eweight
graph.update_all(
fn.u_mul_e("h", "w", "m"), fn.sum("m", "h")
)
if self.pool:
return self.pool(graph, graph.ndata["h"])
else:
return graph.ndata["h"]
# Explain node prediction
model = Model(5, out_dim)
model = model.to(F.ctx())
explainer = nn.GNNExplainer(model, num_hops=1)
new_center, sg, feat_mask, edge_mask = explainer.explain_node(0, g, feat)
# Explain graph prediction
model = Model(5, out_dim, graph=True)
model = model.to(F.ctx())
explainer = nn.GNNExplainer(model, num_hops=1)
feat_mask, edge_mask = explainer.explain_graph(g, feat)
@pytest.mark.parametrize("g", get_cases(["hetero"], exclude=["zero-degree"]))
@pytest.mark.parametrize("idtype", [F.int64])
@pytest.mark.parametrize("input_dim", [5])
@pytest.mark.parametrize("output_dim", [1, 2])
def test_heterognnexplainer(g, idtype, input_dim, output_dim):
g = g.astype(idtype).to(F.ctx())
device = g.device
# add self-loop and reverse edges
transform1 = dgl.transforms.AddSelfLoop(new_etypes=True)
g = transform1(g)
transform2 = dgl.transforms.AddReverse(copy_edata=True)
g = transform2(g)
feat = {
ntype: th.zeros((g.num_nodes(ntype), input_dim), device=device)
for ntype in g.ntypes
}
class Model(th.nn.Module):
def __init__(self, in_dim, num_classes, canonical_etypes, graph=False):
super(Model, self).__init__()
self.graph = graph
self.etype_weights = th.nn.ModuleDict(
{
"_".join(c_etype): th.nn.Linear(in_dim, num_classes)
for c_etype in canonical_etypes
}
)
def forward(self, graph, feat, eweight=None):
with graph.local_scope():
c_etype_func_dict = {}
for c_etype in graph.canonical_etypes:
src_type, etype, dst_type = c_etype
wh = self.etype_weights["_".join(c_etype)](feat[src_type])
graph.nodes[src_type].data[f"h_{c_etype}"] = wh
if eweight is None:
c_etype_func_dict[c_etype] = (
fn.copy_u(f"h_{c_etype}", "m"),
fn.mean("m", "h"),
)
else:
graph.edges[c_etype].data["w"] = eweight[c_etype]
c_etype_func_dict[c_etype] = (
fn.u_mul_e(f"h_{c_etype}", "w", "m"),
fn.mean("m", "h"),
)
graph.multi_update_all(c_etype_func_dict, "sum")
if self.graph:
hg = 0
for ntype in graph.ntypes:
if graph.num_nodes(ntype):
hg = hg + dgl.mean_nodes(graph, "h", ntype=ntype)
return hg
else:
return graph.ndata["h"]
# Explain node prediction
model = Model(input_dim, output_dim, g.canonical_etypes)
model = model.to(F.ctx())
ntype = g.ntypes[0]
explainer = nn.explain.HeteroGNNExplainer(model, num_hops=1)
new_center, sg, feat_mask, edge_mask = explainer.explain_node(
ntype, 0, g, feat
)
# Explain graph prediction
model = Model(input_dim, output_dim, g.canonical_etypes, graph=True)
model = model.to(F.ctx())
explainer = nn.explain.HeteroGNNExplainer(model, num_hops=1)
feat_mask, edge_mask = explainer.explain_graph(g, feat)
@parametrize_idtype
@pytest.mark.parametrize(
"g",
get_cases(
["homo"],
exclude=[
"zero-degree",
"homo-zero-degree",
"has_feature",
"has_scalar_e_feature",
"row_sorted",
"col_sorted",
"batched",
],
),
)
@pytest.mark.parametrize("n_classes", [2])
def test_subgraphx(g, idtype, n_classes):
ctx = F.ctx()
g = g.astype(idtype).to(ctx)
feat = F.randn((g.num_nodes(), 5))
class Model(th.nn.Module):
def __init__(self, in_dim, n_classes):
super().__init__()
self.conv = nn.GraphConv(in_dim, n_classes)
self.pool = nn.AvgPooling()
def forward(self, g, h):
h = th.nn.functional.relu(self.conv(g, h))
return self.pool(g, h)
model = Model(feat.shape[1], n_classes)
model = model.to(ctx)
explainer = nn.SubgraphX(
model, num_hops=1, shapley_steps=20, num_rollouts=5, coef=2.0
)
explainer.explain_graph(g, feat, target_class=0)
@pytest.mark.parametrize("g", get_cases(["hetero"], exclude=["zero-degree"]))
@pytest.mark.parametrize("idtype", [F.int64])
@pytest.mark.parametrize("input_dim", [5])
@pytest.mark.parametrize("n_classes", [2])
def test_heterosubgraphx(g, idtype, input_dim, n_classes):
ctx = F.ctx()
g = g.astype(idtype).to(ctx)
device = g.device
# add self-loop and reverse edges
transform1 = dgl.transforms.AddSelfLoop(new_etypes=True)
g = transform1(g)
transform2 = dgl.transforms.AddReverse(copy_edata=True)
g = transform2(g)
feat = {
ntype: th.zeros((g.num_nodes(ntype), input_dim), device=device)
for ntype in g.ntypes
}
class Model(th.nn.Module):
def __init__(self, in_dim, n_classes, canonical_etypes):
super(Model, self).__init__()
self.etype_weights = th.nn.ModuleDict(
{
"_".join(c_etype): th.nn.Linear(in_dim, n_classes)
for c_etype in canonical_etypes
}
)
def forward(self, graph, feat):
with graph.local_scope():
c_etype_func_dict = {}
for c_etype in graph.canonical_etypes:
src_type, etype, dst_type = c_etype
wh = self.etype_weights["_".join(c_etype)](feat[src_type])
graph.nodes[src_type].data[f"h_{c_etype}"] = wh
c_etype_func_dict[c_etype] = (
fn.copy_u(f"h_{c_etype}", "m"),
fn.mean("m", "h"),
)
graph.multi_update_all(c_etype_func_dict, "sum")
hg = 0
for ntype in graph.ntypes:
if graph.num_nodes(ntype):
hg = hg + dgl.mean_nodes(graph, "h", ntype=ntype)
return hg
model = Model(input_dim, n_classes, g.canonical_etypes)
model = model.to(ctx)
explainer = nn.HeteroSubgraphX(
model, num_hops=1, shapley_steps=20, num_rollouts=5, coef=2.0
)
explainer.explain_graph(g, feat, target_class=0)
@parametrize_idtype
@pytest.mark.parametrize(
"g",
get_cases(
["homo"],
exclude=[
"zero-degree",
"homo-zero-degree",
"has_feature",
"has_scalar_e_feature",
"row_sorted",
"col_sorted",
],
),
)
@pytest.mark.parametrize("n_classes", [2])
def test_pgexplainer(g, idtype, n_classes):
ctx = F.ctx()
g = g.astype(idtype).to(ctx)
feat = F.randn((g.num_nodes(), 5))
g.ndata["attr"] = feat
# add reverse edges
transform = dgl.transforms.AddReverse(copy_edata=True)
g = transform(g)
class Model(th.nn.Module):
def __init__(self, in_feats, out_feats, graph=False):
super(Model, self).__init__()
self.graph = graph
self.conv = nn.GraphConv(in_feats, out_feats)
self.fc = th.nn.Linear(out_feats, out_feats)
th.nn.init.xavier_uniform_(self.fc.weight)
def forward(self, g, h, embed=False, edge_weight=None):
h = self.conv(g, h, edge_weight=edge_weight)
if not self.graph or embed:
return h
with g.local_scope():
g.ndata["h"] = h
hg = dgl.mean_nodes(g, "h")
return self.fc(hg)
# graph explainer
model = Model(feat.shape[1], n_classes, graph=True)
model = model.to(ctx)
explainer = nn.PGExplainer(model, n_classes)
explainer.train_step(g, g.ndata["attr"], 5.0)
probs, edge_weight = explainer.explain_graph(g, feat)
# node explainer
model = Model(feat.shape[1], n_classes, graph=False)
model = model.to(ctx)
explainer = nn.PGExplainer(
model, n_classes, num_hops=1, explain_graph=False
)
explainer.train_step_node(0, g, g.ndata["attr"], 5.0)
explainer.train_step_node([0, 1], g, g.ndata["attr"], 5.0)
explainer.train_step_node(th.tensor(0), g, g.ndata["attr"], 5.0)
explainer.train_step_node(th.tensor([0, 1]), g, g.ndata["attr"], 5.0)
probs, edge_weight, bg, inverse_indices = explainer.explain_node(0, g, feat)
probs, edge_weight, bg, inverse_indices = explainer.explain_node(
[0, 1], g, feat
)
probs, edge_weight, bg, inverse_indices = explainer.explain_node(
th.tensor(0), g, feat
)
probs, edge_weight, bg, inverse_indices = explainer.explain_node(
th.tensor([0, 1]), g, feat
)
@pytest.mark.parametrize("g", get_cases(["hetero"]))
@pytest.mark.parametrize("idtype", [F.int64])
@pytest.mark.parametrize("input_dim", [5])
@pytest.mark.parametrize("n_classes", [2])
def test_heteropgexplainer(g, idtype, input_dim, n_classes):
ctx = F.ctx()
g = g.astype(idtype).to(ctx)
feat = {
ntype: F.randn((g.num_nodes(ntype), input_dim)) for ntype in g.ntypes
}
# add self-loop and reverse edges
transform1 = dgl.transforms.AddSelfLoop(new_etypes=True)
g = transform1(g)
transform2 = dgl.transforms.AddReverse(copy_edata=True)
g = transform2(g)
class Model(th.nn.Module):
def __init__(
self, in_feats, embed_dim, out_feats, canonical_etypes, graph=True
):
super(Model, self).__init__()
self.graph = graph
self.conv = nn.HeteroGraphConv(
{
c_etype: nn.GraphConv(in_feats, embed_dim)
for c_etype in canonical_etypes
}
)
self.fc = th.nn.Linear(embed_dim, out_feats)
def forward(self, g, h, embed=False, edge_weight=None):
if edge_weight is not None:
mod_kwargs = {
etype: {"edge_weight": mask}
for etype, mask in edge_weight.items()
}
h = self.conv(g, h, mod_kwargs=mod_kwargs)
else:
h = self.conv(g, h)
if not self.graph or embed:
return h
with g.local_scope():
g.ndata["h"] = h
hg = 0
for ntype in g.ntypes:
hg = hg + dgl.mean_nodes(g, "h", ntype=ntype)
return self.fc(hg)
embed_dim = input_dim
# graph explainer
model = Model(
input_dim, embed_dim, n_classes, g.canonical_etypes, graph=True
)
model = model.to(ctx)
explainer = nn.HeteroPGExplainer(model, embed_dim)
explainer.train_step(g, feat, 5.0)
probs, edge_weight = explainer.explain_graph(g, feat)
# node explainer
model = Model(
input_dim, embed_dim, n_classes, g.canonical_etypes, graph=False
)
model = model.to(ctx)
explainer = nn.HeteroPGExplainer(
model, embed_dim, num_hops=1, explain_graph=False
)
explainer.train_step_node({g.ntypes[0]: [0]}, g, feat, 5.0)
explainer.train_step_node({g.ntypes[0]: th.tensor([0, 1])}, g, feat, 5.0)
probs, edge_weight, bg, inverse_indices = explainer.explain_node(
{g.ntypes[0]: [0]}, g, feat
)
probs, edge_weight, bg, inverse_indices = explainer.explain_node(
{g.ntypes[0]: th.tensor([0, 1])}, g, feat
)
def test_jumping_knowledge():
ctx = F.ctx()
num_layers = 2
num_nodes = 3
num_feats = 4
feat_list = [
th.randn((num_nodes, num_feats)).to(ctx) for _ in range(num_layers)
]
model = nn.JumpingKnowledge("cat").to(ctx)
model.reset_parameters()
assert model(feat_list).shape == (num_nodes, num_layers * num_feats)
model = nn.JumpingKnowledge("max").to(ctx)
model.reset_parameters()
assert model(feat_list).shape == (num_nodes, num_feats)
model = nn.JumpingKnowledge("lstm", num_feats, num_layers).to(ctx)
model.reset_parameters()
assert model(feat_list).shape == (num_nodes, num_feats)
@pytest.mark.parametrize("op", ["dot", "cos", "ele", "cat"])
def test_edge_predictor(op):
ctx = F.ctx()
num_pairs = 3
in_feats = 4
out_feats = 5
h_src = th.randn((num_pairs, in_feats)).to(ctx)
h_dst = th.randn((num_pairs, in_feats)).to(ctx)
pred = nn.EdgePredictor(op)
if op in ["dot", "cos"]:
assert pred(h_src, h_dst).shape == (num_pairs, 1)
elif op == "ele":
assert pred(h_src, h_dst).shape == (num_pairs, in_feats)
else:
assert pred(h_src, h_dst).shape == (num_pairs, 2 * in_feats)
pred = nn.EdgePredictor(op, in_feats, out_feats, bias=True).to(ctx)
assert pred(h_src, h_dst).shape == (num_pairs, out_feats)
def test_ke_score_funcs():
ctx = F.ctx()
num_edges = 30
num_rels = 3
nfeats = 4
h_src = th.randn((num_edges, nfeats)).to(ctx)
h_dst = th.randn((num_edges, nfeats)).to(ctx)
rels = th.randint(low=0, high=num_rels, size=(num_edges,)).to(ctx)
score_func = nn.TransE(num_rels=num_rels, feats=nfeats).to(ctx)
score_func.reset_parameters()
score_func(h_src, h_dst, rels).shape == (num_edges)
score_func = nn.TransR(
num_rels=num_rels, rfeats=nfeats - 1, nfeats=nfeats
).to(ctx)
score_func.reset_parameters()
score_func(h_src, h_dst, rels).shape == (num_edges)
def test_twirls():
g = dgl.graph(([0, 1, 2, 3, 2, 5], [1, 2, 3, 4, 0, 3]))
feat = th.ones(6, 10)
conv = nn.TWIRLSConv(10, 2, 128, prop_step=64)
res = conv(g, feat)
assert res.size() == (6, 2)
@pytest.mark.parametrize("feat_size", [4, 32])
@pytest.mark.parametrize(
"regularizer,num_bases", [(None, None), ("basis", 4), ("bdd", 4)]
)
def test_typed_linear(feat_size, regularizer, num_bases):
dev = F.ctx()
num_types = 5
lin = nn.TypedLinear(
feat_size,
feat_size * 2,
5,
regularizer=regularizer,
num_bases=num_bases,
).to(dev)
print(lin)
x = th.randn(100, feat_size).to(dev)
x_type = th.randint(0, 5, (100,)).to(dev)
x_type_sorted, idx = th.sort(x_type)
_, rev_idx = th.sort(idx)
x_sorted = x[idx]
# test unsorted
y = lin(x, x_type)
assert y.shape == (100, feat_size * 2)
# test sorted
y_sorted = lin(x_sorted, x_type_sorted, sorted_by_type=True)
assert y_sorted.shape == (100, feat_size * 2)
assert th.allclose(y, y_sorted[rev_idx], atol=1e-4, rtol=1e-4)
@parametrize_idtype
@pytest.mark.parametrize("in_size", [4])
@pytest.mark.parametrize("num_heads", [1])
def test_hgt(idtype, in_size, num_heads):
dev = F.ctx()
num_etypes = 5
num_ntypes = 2
head_size = in_size // num_heads
g = dgl.from_scipy(sp.sparse.random(100, 100, density=0.01))
g = g.astype(idtype).to(dev)
etype = th.tensor([i % num_etypes for i in range(g.num_edges())]).to(dev)
ntype = th.tensor([i % num_ntypes for i in range(g.num_nodes())]).to(dev)
x = th.randn(g.num_nodes(), in_size).to(dev)
m = nn.HGTConv(in_size, head_size, num_heads, num_ntypes, num_etypes).to(
dev
)
y = m(g, x, ntype, etype)
assert y.shape == (g.num_nodes(), head_size * num_heads)
# presorted
sorted_ntype, idx_nt = th.sort(ntype)
sorted_etype, idx_et = th.sort(etype)
_, rev_idx = th.sort(idx_nt)
g.ndata["t"] = ntype
g.ndata["x"] = x
g.edata["t"] = etype
sorted_g = dgl.reorder_graph(
g,
node_permute_algo="custom",
edge_permute_algo="custom",
permute_config={
"nodes_perm": idx_nt.to(idtype),
"edges_perm": idx_et.to(idtype),
},
)
print(sorted_g.ndata["t"])
print(sorted_g.edata["t"])
sorted_x = sorted_g.ndata["x"]
sorted_y = m(
sorted_g, sorted_x, sorted_ntype, sorted_etype, presorted=False
)
assert sorted_y.shape == (g.num_nodes(), head_size * num_heads)
# mini-batch
train_idx = th.randperm(100, dtype=idtype)[:10]
sampler = dgl.dataloading.NeighborSampler([-1])
train_loader = dgl.dataloading.DataLoader(
g, train_idx.to(dev), sampler, batch_size=8, device=dev, shuffle=True
)
(input_nodes, output_nodes, block) = next(iter(train_loader))
block = block[0]
x = x[input_nodes.to(th.long)]
ntype = ntype[input_nodes.to(th.long)]
edge = block.edata[dgl.EID]
etype = etype[edge.to(th.long)]
y = m(block, x, ntype, etype)
assert y.shape == (block.number_of_dst_nodes(), head_size * num_heads)
# TODO(minjie): enable the following check
# assert th.allclose(y, sorted_y[rev_idx], atol=1e-4, rtol=1e-4)
@pytest.mark.parametrize("self_loop", [True, False])
@pytest.mark.parametrize("get_distances", [True, False])
def test_radius_graph(self_loop, get_distances):
pos = th.tensor(
[
[0.1, 0.3, 0.4],
[0.5, 0.2, 0.1],
[0.7, 0.9, 0.5],
[0.3, 0.2, 0.5],
[0.2, 0.8, 0.2],
[0.9, 0.2, 0.1],
[0.7, 0.4, 0.4],
[0.2, 0.1, 0.6],
[0.5, 0.3, 0.5],
[0.4, 0.2, 0.6],
]
)
rg = nn.RadiusGraph(0.3, self_loop=self_loop)
if get_distances:
g, dists = rg(pos, get_distances=get_distances)
else:
g = rg(pos)
if self_loop:
src_target = th.tensor(
[
0,
0,
1,
2,
3,
3,
3,
3,
3,
4,
5,
6,
6,
7,
7,
7,
8,
8,
8,
8,
9,
9,
9,
9,
]
)
dst_target = th.tensor(
[
0,
3,
1,
2,
0,
3,
7,
8,
9,
4,
5,
6,
8,
3,
7,
9,
3,
6,
8,
9,
3,
7,
8,
9,
]
)
if get_distances:
dists_target = th.tensor(
[
[0.0000],
[0.2449],
[0.0000],
[0.0000],
[0.2449],
[0.0000],
[0.1732],
[0.2236],
[0.1414],
[0.0000],
[0.0000],
[0.0000],
[0.2449],
[0.1732],
[0.0000],
[0.2236],
[0.2236],
[0.2449],
[0.0000],
[0.1732],
[0.1414],
[0.2236],
[0.1732],
[0.0000],
]
)
else:
src_target = th.tensor([0, 3, 3, 3, 3, 6, 7, 7, 8, 8, 8, 9, 9, 9])
dst_target = th.tensor([3, 0, 7, 8, 9, 8, 3, 9, 3, 6, 9, 3, 7, 8])
if get_distances:
dists_target = th.tensor(
[
[0.2449],
[0.2449],
[0.1732],
[0.2236],
[0.1414],
[0.2449],
[0.1732],
[0.2236],
[0.2236],
[0.2449],
[0.1732],
[0.1414],
[0.2236],
[0.1732],
]
)
src, dst = g.edges()
assert th.equal(src, src_target)
assert th.equal(dst, dst_target)
if get_distances:
assert th.allclose(dists, dists_target, rtol=1e-03)
@parametrize_idtype
def test_group_rev_res(idtype):
dev = F.ctx()
num_nodes = 5
num_edges = 20
feats = 32
groups = 2
g = dgl.rand_graph(num_nodes, num_edges).to(dev)
h = th.randn(num_nodes, feats).to(dev)
conv = nn.GraphConv(feats // groups, feats // groups)
model = nn.GroupRevRes(conv, groups).to(dev)
result = model(g, h)
result.sum().backward()
@pytest.mark.parametrize("in_size", [16, 32])
@pytest.mark.parametrize("hidden_size", [16, 32])
@pytest.mark.parametrize("out_size", [16, 32])
@pytest.mark.parametrize("edge_feat_size", [16, 10, 0])
def test_egnn_conv(in_size, hidden_size, out_size, edge_feat_size):
dev = F.ctx()
num_nodes = 5
num_edges = 20
g = dgl.rand_graph(num_nodes, num_edges).to(dev)
h = th.randn(num_nodes, in_size).to(dev)
x = th.randn(num_nodes, 3).to(dev)
e = th.randn(num_edges, edge_feat_size).to(dev)
model = nn.EGNNConv(in_size, hidden_size, out_size, edge_feat_size).to(dev)
model(g, h, x, e)
@pytest.mark.parametrize("in_size", [16, 32])
@pytest.mark.parametrize("out_size", [16, 32])
@pytest.mark.parametrize(
"aggregators",
[
["mean", "max", "sum"],
["min", "std", "var"],
["moment3", "moment4", "moment5"],
],
)
@pytest.mark.parametrize(
"scalers", [["identity"], ["amplification", "attenuation"]]
)
@pytest.mark.parametrize("delta", [2.5, 7.4])
@pytest.mark.parametrize("dropout", [0.0, 0.1])
@pytest.mark.parametrize("num_towers", [1, 4])
@pytest.mark.parametrize("edge_feat_size", [16, 0])
@pytest.mark.parametrize("residual", [True, False])
def test_pna_conv(
in_size,
out_size,
aggregators,
scalers,
delta,
dropout,
num_towers,
edge_feat_size,
residual,
):
dev = F.ctx()
num_nodes = 5
num_edges = 20
g = dgl.rand_graph(num_nodes, num_edges).to(dev)
h = th.randn(num_nodes, in_size).to(dev)
e = th.randn(num_edges, edge_feat_size).to(dev)
model = nn.PNAConv(
in_size,
out_size,
aggregators,
scalers,
delta,
dropout,
num_towers,
edge_feat_size,
residual,
).to(dev)
model(g, h, edge_feat=e)
@pytest.mark.parametrize("k", [3, 5])
@pytest.mark.parametrize("alpha", [0.0, 0.5, 1.0])
@pytest.mark.parametrize("norm_type", ["sym", "row"])
@pytest.mark.parametrize("clamp", [True, False])
@pytest.mark.parametrize("normalize", [True, False])
@pytest.mark.parametrize("reset", [True, False])
def test_label_prop(k, alpha, norm_type, clamp, normalize, reset):
dev = F.ctx()
num_nodes = 5
num_edges = 20
num_classes = 4
g = dgl.rand_graph(num_nodes, num_edges).to(dev)
labels = th.tensor([0, 2, 1, 3, 0]).long().to(dev)
ml_labels = th.rand(num_nodes, num_classes).to(dev) > 0.7
mask = th.tensor([0, 1, 1, 1, 0]).bool().to(dev)
model = nn.LabelPropagation(k, alpha, norm_type, clamp, normalize, reset)
model(g, labels, mask)
# multi-label case
model(g, ml_labels, mask)
@pytest.mark.parametrize("in_size", [16])
@pytest.mark.parametrize("out_size", [16, 32])
@pytest.mark.parametrize(
"aggregators", [["mean", "max", "dir2-av"], ["min", "std", "dir1-dx"]]
)
@pytest.mark.parametrize("scalers", [["amplification", "attenuation"]])
@pytest.mark.parametrize("delta", [2.5])
@pytest.mark.parametrize("edge_feat_size", [16, 0])
def test_dgn_conv(
in_size, out_size, aggregators, scalers, delta, edge_feat_size
):
dev = F.ctx()
num_nodes = 5
num_edges = 20
g = dgl.rand_graph(num_nodes, num_edges).to(dev)
h = th.randn(num_nodes, in_size).to(dev)
e = th.randn(num_edges, edge_feat_size).to(dev)
transform = dgl.LapPE(k=3, feat_name="eig")
g = transform(g)
eig = g.ndata["eig"]
model = nn.DGNConv(
in_size,
out_size,
aggregators,
scalers,
delta,
edge_feat_size=edge_feat_size,
).to(dev)
model(g, h, edge_feat=e, eig_vec=eig)
aggregators_non_eig = [
aggr for aggr in aggregators if not aggr.startswith("dir")
]
model = nn.DGNConv(
in_size,
out_size,
aggregators_non_eig,
scalers,
delta,
edge_feat_size=edge_feat_size,
).to(dev)
model(g, h, edge_feat=e)
def test_DeepWalk():
dev = F.ctx()
g = dgl.graph(([0, 1, 2, 1, 2, 0], [1, 2, 0, 0, 1, 2]))
model = nn.DeepWalk(
g, emb_dim=8, walk_length=2, window_size=1, fast_neg=True, sparse=True
)
model = model.to(dev)
dataloader = DataLoader(
torch.arange(g.num_nodes()), batch_size=16, collate_fn=model.sample
)
optim = SparseAdam(model.parameters(), lr=0.01)
walk = next(iter(dataloader)).to(dev)
loss = model(walk)
loss.backward()
optim.step()
model = nn.DeepWalk(
g, emb_dim=8, walk_length=2, window_size=1, fast_neg=False, sparse=False
)
model = model.to(dev)
dataloader = DataLoader(
torch.arange(g.num_nodes()), batch_size=16, collate_fn=model.sample
)
optim = Adam(model.parameters(), lr=0.01)
walk = next(iter(dataloader)).to(dev)
loss = model(walk)
loss.backward()
optim.step()
@pytest.mark.parametrize("max_degree", [2, 6])
@pytest.mark.parametrize("embedding_dim", [8, 16])
@pytest.mark.parametrize("direction", ["in", "out", "both"])
def test_degree_encoder(max_degree, embedding_dim, direction):
g1 = dgl.graph(
(
th.tensor([0, 0, 0, 1, 1, 2, 3, 3]),
th.tensor([1, 2, 3, 0, 3, 0, 0, 1]),
)
)
g2 = dgl.graph(
(
th.tensor([0, 1]),
th.tensor([1, 0]),
)
)
in_degree = pad_sequence(
[g1.in_degrees(), g2.in_degrees()], batch_first=True
)
out_degree = pad_sequence(
[g1.out_degrees(), g2.out_degrees()], batch_first=True
)
model = nn.DegreeEncoder(max_degree, embedding_dim, direction=direction)
if direction == "in":
de_g = model(in_degree)
elif direction == "out":
de_g = model(out_degree)
elif direction == "both":
de_g = model(th.stack((in_degree, out_degree)))
assert de_g.shape == (2, 4, embedding_dim)
@parametrize_idtype
def test_MetaPath2Vec(idtype):
dev = F.ctx()
g = dgl.heterograph(
{
("user", "uc", "company"): ([0, 0, 2, 1, 3], [1, 2, 1, 3, 0]),
("company", "cp", "product"): (
[0, 0, 0, 1, 2, 3],
[0, 2, 3, 0, 2, 1],
),
("company", "cu", "user"): ([1, 2, 1, 3, 0], [0, 0, 2, 1, 3]),
("product", "pc", "company"): (
[0, 2, 3, 0, 2, 1],
[0, 0, 0, 1, 2, 3],
),
},
idtype=idtype,
device=dev,
)
model = nn.MetaPath2Vec(g, ["uc", "cu"], window_size=1)
model = model.to(dev)
embeds = model.node_embed.weight
assert embeds.shape[0] == g.num_nodes()
@pytest.mark.parametrize("num_layer", [1, 4])
@pytest.mark.parametrize("k", [3, 5])
@pytest.mark.parametrize("lpe_dim", [4, 16])
@pytest.mark.parametrize("n_head", [2, 4])
@pytest.mark.parametrize("batch_norm", [True, False])
@pytest.mark.parametrize("num_post_layer", [0, 1, 2])
def test_LapPosEncoder(
num_layer, k, lpe_dim, n_head, batch_norm, num_post_layer
):
ctx = F.ctx()
num_nodes = 4
EigVals = th.randn((num_nodes, k)).to(ctx)
EigVecs = th.randn((num_nodes, k)).to(ctx)
model = nn.LapPosEncoder(
"Transformer", num_layer, k, lpe_dim, n_head, batch_norm, num_post_layer
).to(ctx)
assert model(EigVals, EigVecs).shape == (num_nodes, lpe_dim)
model = nn.LapPosEncoder(
"DeepSet",
num_layer,
k,
lpe_dim,
batch_norm=batch_norm,
num_post_layer=num_post_layer,
).to(ctx)
assert model(EigVals, EigVecs).shape == (num_nodes, lpe_dim)
@pytest.mark.parametrize("feat_size", [128, 512])
@pytest.mark.parametrize("num_heads", [8, 16])
@pytest.mark.parametrize("bias", [True, False])
@pytest.mark.parametrize("attn_bias_type", ["add", "mul"])
@pytest.mark.parametrize("attn_drop", [0.1, 0.5])
def test_BiasedMHA(feat_size, num_heads, bias, attn_bias_type, attn_drop):
ndata = th.rand(16, 100, feat_size)
attn_bias = th.rand(16, 100, 100, num_heads)
attn_mask = th.rand(16, 100, 100) < 0.5
net = nn.BiasedMHA(feat_size, num_heads, bias, attn_bias_type, attn_drop)
out = net(ndata, attn_bias, attn_mask)
assert out.shape == (16, 100, feat_size)
@pytest.mark.parametrize("edge_update", [True, False])
def test_EGTLayer(edge_update):
batch_size = 16
num_nodes = 100
feat_size, edge_feat_size = 128, 32
nfeat = th.rand(batch_size, num_nodes, feat_size)
efeat = th.rand(batch_size, num_nodes, num_nodes, edge_feat_size)
mask = (th.rand(batch_size, num_nodes, num_nodes) < 0.5) * -1e9
net = nn.EGTLayer(
feat_size=feat_size,
edge_feat_size=edge_feat_size,
num_heads=8,
num_virtual_nodes=4,
edge_update=edge_update,
)
if edge_update:
out_nfeat, out_efeat = net(nfeat, efeat, mask)
assert out_nfeat.shape == (batch_size, num_nodes, feat_size)
assert out_efeat.shape == (
batch_size,
num_nodes,
num_nodes,
edge_feat_size,
)
else:
out_nfeat = net(nfeat, efeat, mask)
assert out_nfeat.shape == (batch_size, num_nodes, feat_size)
@pytest.mark.parametrize("attn_bias_type", ["add", "mul"])
@pytest.mark.parametrize("norm_first", [True, False])
def test_GraphormerLayer(attn_bias_type, norm_first):
batch_size = 16
num_nodes = 100
feat_size = 512
num_heads = 8
nfeat = th.rand(batch_size, num_nodes, feat_size)
attn_bias = th.rand(batch_size, num_nodes, num_nodes, num_heads)
attn_mask = th.rand(batch_size, num_nodes, num_nodes) < 0.5
net = nn.GraphormerLayer(
feat_size=feat_size,
hidden_size=2048,
num_heads=num_heads,
attn_bias_type=attn_bias_type,
norm_first=norm_first,
dropout=0.1,
attn_dropout=0.1,
activation=th.nn.ReLU(),
)
out = net(nfeat, attn_bias, attn_mask)
assert out.shape == (batch_size, num_nodes, feat_size)
@pytest.mark.parametrize("max_len", [1, 2])
@pytest.mark.parametrize("feat_dim", [16])
@pytest.mark.parametrize("num_heads", [1, 8])
def test_PathEncoder(max_len, feat_dim, num_heads):
dev = F.ctx()
g = dgl.graph(
(
th.tensor([0, 0, 0, 1, 1, 2, 3, 3]),
th.tensor([1, 2, 3, 0, 3, 0, 0, 1]),
)
).to(dev)
edge_feat = th.rand(g.num_edges(), feat_dim).to(dev)
edge_feat = th.cat((edge_feat, th.zeros(1, 16).to(dev)), dim=0)
dist, path = shortest_dist(g, root=None, return_paths=True)
path_data = edge_feat[path[:, :, :max_len]]
model = nn.PathEncoder(max_len, feat_dim, num_heads=num_heads).to(dev)
bias = model(dist.unsqueeze(0), path_data.unsqueeze(0))
assert bias.shape == (1, 4, 4, num_heads)
@pytest.mark.parametrize("max_dist", [1, 4])
@pytest.mark.parametrize("num_kernels", [4, 16])
@pytest.mark.parametrize("num_heads", [1, 8])
def test_SpatialEncoder(max_dist, num_kernels, num_heads):
dev = F.ctx()
# single graph encoding 3d
num_nodes = 4
coord = th.rand(1, num_nodes, 3).to(dev)
node_type = th.tensor([[1, 0, 2, 1]]).to(dev)
spatial_encoder = nn.SpatialEncoder3d(
num_kernels=num_kernels, num_heads=num_heads, max_node_type=3
).to(dev)
out = spatial_encoder(coord, node_type=node_type)
assert out.shape == (1, num_nodes, num_nodes, num_heads)
# encoding on a batch of graphs
g1 = dgl.graph(
(
th.tensor([0, 0, 0, 1, 1, 2, 3, 3]),
th.tensor([1, 2, 3, 0, 3, 0, 0, 1]),
)
).to(dev)
g2 = dgl.graph(
(th.tensor([0, 1, 2, 3, 2, 5]), th.tensor([1, 2, 3, 4, 0, 3]))
).to(dev)
bsz, max_num_nodes = 2, 6
# 2d encoding
dist = -th.ones((bsz, max_num_nodes, max_num_nodes), dtype=th.long).to(dev)
dist[0, :4, :4] = shortest_dist(g1, root=None, return_paths=False)
dist[1, :6, :6] = shortest_dist(g2, root=None, return_paths=False)
model_1 = nn.SpatialEncoder(max_dist, num_heads=num_heads).to(dev)
encoding = model_1(dist)
assert encoding.shape == (bsz, max_num_nodes, max_num_nodes, num_heads)
# 3d encoding
coord = th.rand(bsz, max_num_nodes, 3).to(dev)
node_type = th.randint(
0,
512,
(
bsz,
max_num_nodes,
),
).to(dev)
model_2 = nn.SpatialEncoder3d(num_kernels, num_heads=num_heads).to(dev)
model_3 = nn.SpatialEncoder3d(
num_kernels, num_heads=num_heads, max_node_type=512
).to(dev)
encoding3d_1 = model_2(coord)
encoding3d_2 = model_3(coord, node_type)
assert encoding3d_1.shape == (bsz, max_num_nodes, max_num_nodes, num_heads)
assert encoding3d_2.shape == (bsz, max_num_nodes, max_num_nodes, num_heads)
@pytest.mark.parametrize("residual", [True, False])
def test_conv_with_zero_nodes_bugfix_7894(residual):
"""Test for PR #7894 in DGL where HeteroGraphConv with zero nodes in a
specific node type would cause an error due to empty tensors.
This test ensures that GATConv, GATv2Conv, and EdgeGATConv can handle
such cases without raising errors.
"""
# Create a heterogeneous graph with zero nodes in the "tag" type
user_item_src = torch.tensor([0, 1, 2])
user_item_dst = torch.tensor([4, 5, 6])
user_tag_src = torch.tensor([], dtype=torch.int64)
user_tag_dst = torch.tensor([], dtype=torch.int64)
num_nodes_dict = {
"user": 5,
"item": 10,
"tag": 0,
}
data_dict = {
("user", "buys", "item"): (user_item_src, user_item_dst),
("user", "likes", "tag"): (user_tag_src, user_tag_dst),
}
g = dgl.heterograph(data_dict, num_nodes_dict=num_nodes_dict)
feat_dim = 16
node_features = {
"user": torch.randn(num_nodes_dict["user"], feat_dim),
"item": torch.randn(num_nodes_dict["item"], feat_dim),
"tag": torch.randn(num_nodes_dict["tag"], feat_dim),
}
edge_features = {
("user", "buys", "item"): torch.randn(g.num_edges(("user", "buys", "item")), feat_dim),
("user", "likes", "tag"): torch.randn(g.num_edges(("user", "likes", "tag")), feat_dim),
}
# Test GATConv with zero nodes in "tag" type
conv = nn.HeteroGraphConv({
("user", "buys", "item"): nn.GATConv(16, 2, num_heads=2, residual=residual),
("user", "likes", "tag"): nn.GATConv(16, 2, num_heads=2, residual=residual),
}, aggregate="sum")
out = conv(g, node_features)
assert out["item"].shape == (10, 2, 2)
assert out["tag"].shape == (0, 2, 2)
assert "user" not in out
# Test GATv2Conv with zero nodes in "tag" type
conv_v2 = nn.HeteroGraphConv({
("user", "buys", "item"): nn.GATv2Conv(16, 2, num_heads=2, residual=residual),
("user", "likes", "tag"): nn.GATv2Conv(16, 2, num_heads=2, residual=residual),
}, aggregate="sum")
out_v2 = conv_v2(g, node_features)
assert out_v2["item"].shape == (10, 2, 2)
assert out_v2["tag"].shape == (0, 2, 2)
assert "user" not in out_v2
# Test EdgeGATConv with zero nodes in "tag" type
edge_conv = nn.HeteroGraphConv({
("user", "buys", "item"): nn.EdgeGATConv(16, 16, 2, num_heads=2, residual=residual),
("user", "likes", "tag"): nn.EdgeGATConv(16, 16, 2, num_heads=2, residual=residual),
}, aggregate="sum")
mod_kwargs = {
"buys": {"edge_feat": edge_features[("user", "buys", "item")]},
"likes": {"edge_feat": edge_features[("user", "likes", "tag")]},
}
out_edge = edge_conv(g, node_features, mod_kwargs=mod_kwargs)
assert out_edge["item"].shape == (10, 2, 2)
assert out_edge["tag"].shape == (0, 2, 2)
assert "user" not in out_edge