import torch as th import networkx as nx import dgl import dgl.nn.pytorch as nn import backend as F from copy import deepcopy import numpy as np import scipy as sp 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 test_graph_conv(): g = dgl.DGLGraph(nx.path_graph(3)) ctx = F.ctx() adj = g.adjacency_matrix(ctx=ctx) conv = nn.GraphConv(5, 2, norm=False, bias=True) if F.gpu_ctx(): conv = conv.to(ctx) print(conv) # 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, 2) if F.gpu_ctx(): 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, 2) if F.gpu_ctx(): 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) 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 def test_tagconv(): g = dgl.DGLGraph(nx.path_graph(3)) ctx = F.ctx() adj = g.adjacency_matrix(ctx=ctx) norm = th.pow(g.in_degrees().float(), -0.5) conv = nn.TAGConv(5, 2, bias=True) if F.gpu_ctx(): conv = conv.to(ctx) print(conv) # 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, 2) if F.gpu_ctx(): conv = conv.to(ctx) # test#2: basic h0 = F.ones((3, 5)) h1 = conv(g, h0) assert h1.shape[-1] == 2 # 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 = dgl.DGLGraph(nx.path_graph(10)) s2s = nn.Set2Set(5, 3, 3) # hidden size 5, 3 iters, 3 layers if F.gpu_ctx(): s2s = s2s.to(ctx) print(s2s) # test#1: basic h0 = F.randn((g.number_of_nodes(), 5)) h1 = s2s(g, h0) assert h1.shape[0] == 10 and h1.dim() == 1 # test#2: batched graph g1 = dgl.DGLGraph(nx.path_graph(11)) g2 = dgl.DGLGraph(nx.path_graph(5)) bg = dgl.batch([g, g1, g2]) h0 = F.randn((bg.number_of_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 = dgl.DGLGraph(nx.path_graph(10)) gap = nn.GlobalAttentionPooling(th.nn.Linear(5, 1), th.nn.Linear(5, 10)) if F.gpu_ctx(): gap = gap.to(ctx) print(gap) # test#1: basic h0 = F.randn((g.number_of_nodes(), 5)) h1 = gap(g, h0) assert h1.shape[0] == 10 and h1.dim() == 1 # test#2: batched graph bg = dgl.batch([g, g, g, g]) h0 = F.randn((bg.number_of_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 = dgl.DGLGraph(nx.path_graph(15)) 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.number_of_nodes(), 5)) if F.gpu_ctx(): sum_pool = sum_pool.to(ctx) avg_pool = avg_pool.to(ctx) max_pool = max_pool.to(ctx) sort_pool = sort_pool.to(ctx) h0 = h0.to(ctx) h1 = sum_pool(g, h0) assert F.allclose(h1, F.sum(h0, 0)) h1 = avg_pool(g, h0) assert F.allclose(h1, F.mean(h0, 0)) h1 = max_pool(g, h0) assert F.allclose(h1, F.max(h0, 0)) h1 = sort_pool(g, h0) assert h1.shape[0] == 10 * 5 and h1.dim() == 1 # test#2: batched graph g_ = dgl.DGLGraph(nx.path_graph(5)) bg = dgl.batch([g, g_, g, g_, g]) h0 = F.randn((bg.number_of_nodes(), 5)) if F.gpu_ctx(): h0 = h0.to(ctx) 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 = dgl.DGLGraph(nx.path_graph(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) if F.gpu_ctx(): 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.number_of_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] == 200 and h2.dim() == 1 # test#2: batched graph g1 = dgl.DGLGraph(nx.path_graph(5)) g2 = dgl.DGLGraph(nx.path_graph(10)) bg = dgl.batch([g, g1, g2]) h0 = F.randn((bg.number_of_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 def uniform_attention(g, shape): a = th.ones(shape) target_shape = (g.number_of_edges(),) + (1,) * (len(shape) - 1) return a / g.in_degrees(g.edges()[1]).view(target_shape).float() def test_edge_softmax(): # Basic g = dgl.DGLGraph(nx.path_graph(3)) edata = F.ones((g.number_of_edges(), 1)) a = nn.edge_softmax(g, edata) assert len(g.ndata) == 0 assert len(g.edata) == 0 assert F.allclose(a, uniform_attention(g, a.shape)) # Test higher dimension case edata = F.ones((g.number_of_edges(), 3, 1)) a = nn.edge_softmax(g, edata) assert len(g.ndata) == 0 assert len(g.edata) == 0 assert F.allclose(a, uniform_attention(g, a.shape)) # Test both forward and backward with PyTorch built-in softmax. g = dgl.DGLGraph() g.add_nodes(30) # build a complete graph for i in range(30): for j in range(30): g.add_edge(i, j) score = F.randn((900, 1)) score.requires_grad_() grad = F.randn((900, 1)) y = F.softmax(score.view(30, 30), dim=0).view(-1, 1) y.backward(grad) grad_score = score.grad score.grad.zero_() y_dgl = nn.edge_softmax(g, score) assert len(g.ndata) == 0 assert len(g.edata) == 0 # check forward assert F.allclose(y_dgl, y) y_dgl.backward(grad) # checkout gradient assert F.allclose(score.grad, grad_score) print(score.grad[:10], grad_score[:10]) # Test 2 def generate_rand_graph(n): arr = (sp.sparse.random(n, n, density=0.1, format='coo') != 0).astype(np.int64) return dgl.DGLGraph(arr, readonly=True) g = generate_rand_graph(50) a1 = F.randn((g.number_of_edges(), 1)).requires_grad_() a2 = a1.clone().detach().requires_grad_() g.edata['s'] = a1 g.group_apply_edges('dst', lambda edges: {'ss':F.softmax(edges.data['s'], 1)}) g.edata['ss'].sum().backward() builtin_sm = nn.edge_softmax(g, a2) builtin_sm.sum().backward() print(a1.grad - a2.grad) assert len(g.ndata) == 0 assert len(g.edata) == 2 assert F.allclose(a1.grad, a2.grad, rtol=1e-4, atol=1e-4) # Follow tolerance in unittest backend def test_rgcn(): ctx = F.ctx() etype = [] g = dgl.DGLGraph(sp.sparse.random(100, 100, density=0.1), readonly=True) # 5 etypes R = 5 for i in range(g.number_of_edges()): etype.append(i % 5) B = 2 I = 10 O = 8 rgc_basis = nn.RelGraphConv(I, O, R, "basis", B).to(ctx) h = th.randn((100, I)).to(ctx) r = th.tensor(etype).to(ctx) h_new = rgc_basis(g, h, r) assert list(h_new.shape) == [100, O] rgc_bdd = nn.RelGraphConv(I, O, R, "bdd", B).to(ctx) h = th.randn((100, I)).to(ctx) r = th.tensor(etype).to(ctx) h_new = rgc_bdd(g, h, r) assert list(h_new.shape) == [100, O] # with norm norm = th.zeros((g.number_of_edges(), 1)).to(ctx) rgc_basis = nn.RelGraphConv(I, O, R, "basis", B).to(ctx) h = th.randn((100, I)).to(ctx) r = th.tensor(etype).to(ctx) h_new = rgc_basis(g, h, r, norm) assert list(h_new.shape) == [100, O] rgc_bdd = nn.RelGraphConv(I, O, R, "bdd", B).to(ctx) h = th.randn((100, I)).to(ctx) r = th.tensor(etype).to(ctx) h_new = rgc_bdd(g, h, r, norm) assert list(h_new.shape) == [100, O] # id input rgc_basis = nn.RelGraphConv(I, O, R, "basis", B).to(ctx) h = th.randint(0, I, (100,)).to(ctx) r = th.tensor(etype).to(ctx) h_new = rgc_basis(g, h, r) assert list(h_new.shape) == [100, O] def test_gat_conv(): ctx = F.ctx() g = dgl.DGLGraph(sp.sparse.random(100, 100, density=0.1), readonly=True) gat = nn.GATConv(5, 2, 4) feat = F.randn((100, 5)) if F.gpu_ctx(): gat = gat.to(ctx) feat = feat.to(ctx) h = gat(g, feat) assert h.shape[-1] == 2 and h.shape[-2] == 4 def test_sage_conv(): for aggre_type in ['mean', 'pool', 'gcn', 'lstm']: ctx = F.ctx() g = dgl.DGLGraph(sp.sparse.random(100, 100, density=0.1), readonly=True) sage = nn.SAGEConv(5, 10, aggre_type) feat = F.randn((100, 5)) if F.gpu_ctx(): sage = sage.to(ctx) feat = feat.to(ctx) h = sage(g, feat) assert h.shape[-1] == 10 def test_sgc_conv(): ctx = F.ctx() g = dgl.DGLGraph(sp.sparse.random(100, 100, density=0.1), readonly=True) # not cached sgc = nn.SGConv(5, 10, 3) feat = F.randn((100, 5)) if F.gpu_ctx(): sgc = sgc.to(ctx) feat = feat.to(ctx) h = sgc(g, feat) assert h.shape[-1] == 10 # cached sgc = nn.SGConv(5, 10, 3, True) if F.gpu_ctx(): 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] == 10 def test_appnp_conv(): ctx = F.ctx() g = dgl.DGLGraph(sp.sparse.random(100, 100, density=0.1), readonly=True) appnp = nn.APPNPConv(10, 0.1) feat = F.randn((100, 5)) if F.gpu_ctx(): appnp = appnp.to(ctx) feat = feat.to(ctx) h = appnp(g, feat) assert h.shape[-1] == 5 def test_gin_conv(): for aggregator_type in ['mean', 'max', 'sum']: ctx = F.ctx() g = dgl.DGLGraph(sp.sparse.random(100, 100, density=0.1), readonly=True) gin = nn.GINConv( th.nn.Linear(5, 12), aggregator_type ) feat = F.randn((100, 5)) if F.gpu_ctx(): gin = gin.to(ctx) feat = feat.to(ctx) h = gin(g, feat) assert h.shape[-1] == 12 def test_agnn_conv(): ctx = F.ctx() g = dgl.DGLGraph(sp.sparse.random(100, 100, density=0.1), readonly=True) agnn = nn.AGNNConv(1) feat = F.randn((100, 5)) if F.gpu_ctx(): agnn = agnn.to(ctx) feat = feat.to(ctx) h = agnn(g, feat) assert h.shape[-1] == 5 def test_gated_graph_conv(): ctx = F.ctx() g = dgl.DGLGraph(sp.sparse.random(100, 100, density=0.1), readonly=True) ggconv = nn.GatedGraphConv(5, 10, 5, 3) etypes = th.arange(g.number_of_edges()) % 3 feat = F.randn((100, 5)) if F.gpu_ctx(): ggconv = ggconv.to(ctx) feat = feat.to(ctx) etypes = etypes.to(ctx) h = ggconv(g, feat, etypes) # current we only do shape check assert h.shape[-1] == 10 def test_nn_conv(): ctx = F.ctx() g = dgl.DGLGraph(sp.sparse.random(100, 100, density=0.1), readonly=True) edge_func = th.nn.Linear(4, 5 * 10) nnconv = nn.NNConv(5, 10, edge_func, 'mean') feat = F.randn((100, 5)) efeat = F.randn((g.number_of_edges(), 4)) if F.gpu_ctx(): nnconv = nnconv.to(ctx) feat = feat.to(ctx) efeat = efeat.to(ctx) h = nnconv(g, feat, efeat) # currently we only do shape check assert h.shape[-1] == 10 def test_gmm_conv(): ctx = F.ctx() g = dgl.DGLGraph(sp.sparse.random(100, 100, density=0.1), readonly=True) gmmconv = nn.GMMConv(5, 10, 3, 4, 'mean') feat = F.randn((100, 5)) pseudo = F.randn((g.number_of_edges(), 3)) if F.gpu_ctx(): gmmconv = gmmconv.to(ctx) feat = feat.to(ctx) pseudo = pseudo.to(ctx) h = gmmconv(g, feat, pseudo) # currently we only do shape check assert h.shape[-1] == 10 def test_dense_graph_conv(): ctx = F.ctx() g = dgl.DGLGraph(sp.sparse.random(100, 100, density=0.1), readonly=True) adj = g.adjacency_matrix(ctx=ctx).to_dense() conv = nn.GraphConv(5, 2, norm=False, bias=True) dense_conv = nn.DenseGraphConv(5, 2, norm=False, bias=True) dense_conv.weight.data = conv.weight.data dense_conv.bias.data = conv.bias.data feat = F.randn((100, 5)) if F.gpu_ctx(): conv = conv.to(ctx) dense_conv = dense_conv.to(ctx) feat = feat.to(ctx) out_conv = conv(g, feat) out_dense_conv = dense_conv(adj, feat) assert F.allclose(out_conv, out_dense_conv) def test_dense_sage_conv(): ctx = F.ctx() g = dgl.DGLGraph(sp.sparse.random(100, 100, density=0.1), readonly=True) adj = g.adjacency_matrix(ctx=ctx).to_dense() sage = nn.SAGEConv(5, 2, 'gcn',) dense_sage = nn.DenseSAGEConv(5, 2) dense_sage.fc.weight.data = sage.fc_neigh.weight.data dense_sage.fc.bias.data = sage.fc_neigh.bias.data feat = F.randn((100, 5)) if F.gpu_ctx(): sage = sage.to(ctx) dense_sage = dense_sage.to(ctx) feat = feat.to(ctx) out_sage = sage(g, feat) out_dense_sage = dense_sage(adj, feat) assert F.allclose(out_sage, out_dense_sage) def test_dense_cheb_conv(): for k in range(1, 4): ctx = F.ctx() g = dgl.DGLGraph(sp.sparse.random(100, 100, density=0.1), readonly=True) adj = g.adjacency_matrix(ctx=ctx).to_dense() cheb = nn.ChebConv(5, 2, k) dense_cheb = nn.DenseChebConv(5, 2, k) for i in range(len(cheb.fc)): dense_cheb.W.data[i] = cheb.fc[i].weight.data.t() if cheb.bias is not None: dense_cheb.bias.data = cheb.bias.data feat = F.randn((100, 5)) if F.gpu_ctx(): cheb = cheb.to(ctx) dense_cheb = dense_cheb.to(ctx) feat = feat.to(ctx) out_cheb = cheb(g, feat, [2.0]) out_dense_cheb = dense_cheb(adj, feat, 2.0) assert F.allclose(out_cheb, out_dense_cheb) if __name__ == '__main__': test_graph_conv() test_edge_softmax() test_set2set() test_glob_att_pool() test_simple_pool() test_set_trans() test_rgcn() test_tagconv() test_gat_conv() test_sage_conv() test_sgc_conv() test_appnp_conv() test_gin_conv() test_agnn_conv() test_gated_graph_conv() test_nn_conv() test_gmm_conv() test_dense_graph_conv() test_dense_sage_conv() test_dense_cheb_conv()