def __init__(self,
num_layers=2,
hidden=16,
features_num=16,
num_class=2,
droprate=0.5,
dim=1,
kernel_size=2,
edge_droprate=0.0,
fea_norm="no_norm",
K=20,
alpha=0.5):
super(SplineGCN, self).__init__()
self.droprate = droprate
self.edge_droprate = edge_droprate
if fea_norm == "no_norm":
self.fea_norm_layer = None
elif fea_norm == "graph_size_norm":
self.fea_norm_layer = GraphSizeNorm()
else:
raise ValueError("your fea_norm is un-defined: %s") % fea_norm
self.convs = torch.nn.ModuleList()
self.convs.append(SplineConv(features_num, hidden, dim, kernel_size))
for i in range(num_layers - 2):
self.convs.append(SplineConv(hidden, hidden, dim, kernel_size))
self.convs.append(SplineConv(hidden, num_class, dim, kernel_size))
self.appnp = APPNP(K, alpha)
def __init__(self,num_layers=1,hidden=48,features_num=16,num_class=2,K=5,alpha=0.2):
super(GCN_APPNP, self).__init__()
self.lin2 = Linear(hidden, num_class)
self.first_lin = Linear(features_num, hidden)
self.convs = torch.nn.ModuleList()
for i in range(num_layers):
self.convs.append(GCNConv(hidden, hidden))
self.ppnp = APPNP(K=K, alpha=alpha)
def __init__(self,
input_dim,
out_dim,
filter_num,
alpha=0.1,
dropout=False,
K=1):
super(APPNP_Link, self).__init__()
self.dropout = dropout
self.line1 = nn.Linear(input_dim, filter_num)
self.line2 = nn.Linear(filter_num, filter_num)
self.conv1 = APPNP(K=K, alpha=alpha)
self.conv2 = APPNP(K=K, alpha=alpha)
self.linear = nn.Linear(filter_num * 2, out_dim)
def __init__(self,
input_dim,
hidden_dim,
distmult=False,
k=10,
alpha=0.1,
dropout=0):
super().__init__(input_dim, hidden_dim, distmult, dropout)
self.gcn = APPNP(K=k, alpha=alpha)
def test_appnp():
in_channels, out_channels = (16, 32)
edge_index = torch.tensor([[0, 0, 0, 1, 2, 3], [1, 2, 3, 0, 0, 0]])
num_nodes = edge_index.max().item() + 1
x = torch.randn((num_nodes, in_channels))
conv = APPNP(in_channels, out_channels, K=10, alpha=0.1)
assert conv.__repr__() == 'APPNP(16, 32, K=10, alpha=0.1)'
assert conv(x, edge_index).size() == (num_nodes, out_channels)
def __init__(self, K, alpha, hidden, activation, data):
super(ModelAPPNP, self).__init__()
self.linear_1 = Linear(data.num_features, hidden)
self.conv = APPNP(K, alpha)
self.linear_2 = Linear(hidden, data.num_class)
if activation == "relu":
self.activation = relu
elif activation == "leaky_relu":
self.activation = leaky_relu
def __init__(self,
input_dim,
out_dim,
filter_num,
alpha=0.1,
dropout=False,
layer=3):
super(APPNP_Model, self).__init__()
self.dropout = dropout
self.line1 = nn.Linear(input_dim, filter_num)
self.line2 = nn.Linear(filter_num, filter_num)
self.conv1 = APPNP(K=10, alpha=alpha)
self.conv2 = APPNP(K=10, alpha=alpha)
self.layer = layer
if layer == 3:
self.line3 = nn.Linear(filter_num, filter_num)
self.conv3 = APPNP(K=10, alpha=alpha)
self.Conv = nn.Conv1d(filter_num, out_dim, kernel_size=1)
def init_model(self, n_class, feature_num):
hidden_size = int(2**self.hyperparameters['hidden'])
K = int(self.hyperparameters['K'])
self.lin1 = Linear(feature_num, hidden_size)
self.lin2 = Linear(hidden_size, n_class)
self.prop1 = APPNP(K=K, alpha=self.hyperparameters['alpha'])
self.optimizer = torch.optim.Adam(self.parameters(),
lr=self.hyperparameters['lr'],
weight_decay=5e-4)
self = self.to('cuda')
def __init__(self, dataset, args):
super(GPRGNN, self).__init__()
self.lin1 = Linear(dataset.num_features, args.hidden)
self.lin2 = Linear(args.hidden, dataset.num_classes)
if args.ppnp == 'PPNP':
self.prop1 = APPNP(args.K, args.alpha)
elif args.ppnp == 'GPR_prop':
self.prop1 = GPR_prop(args.K, args.alpha, args.Init, args.Gamma)
self.Init = args.Init
self.dprate = args.dprate
self.dropout = args.dropout
def __init__(self, in_channels, hidden_channels, out_channels, Init='PPR', dprate=.5, dropout=.5, K=10, alpha=.1, Gamma=None, ppnp='GPR_prop'):
super(GPRGNN, self).__init__()
self.lin1 = nn.Linear(in_channels, hidden_channels)
self.lin2 = nn.Linear(hidden_channels, out_channels)
if ppnp == 'PPNP':
self.prop1 = APPNP(K, alpha)
elif ppnp == 'GPR_prop':
self.prop1 = GPR_prop(K, alpha, Init, Gamma)
self.Init = Init
self.dprate = dprate
self.dropout = dropout
def __init__(self, dataset, args):
in_channels = dataset.num_features
out_channels = dataset.num_classes
super(GCN_JKNet, self).__init__()
self.conv1 = GCNConv(in_channels, 16)
self.conv2 = GCNConv(16, 16)
self.lin1 = torch.nn.Linear(16, out_channels)
self.one_step = APPNP(K=1, alpha=0)
self.JK = JumpingKnowledge(mode='lstm',
channels=16,
num_layers=4
)
def __init__(self, in_channels, hidden_channels, out_channels, num_layers,
K, alpha, dropout):
super(APPNPNet, self).__init__()
self.lins = torch.nn.ModuleList()
self.lins.append(Linear(in_channels, hidden_channels))
self.bns = torch.nn.ModuleList()
self.bns.append(torch.nn.BatchNorm1d(hidden_channels))
for _ in range(num_layers - 2):
self.lins.append(Linear(hidden_channels, hidden_channels))
self.bns.append(torch.nn.BatchNorm1d(hidden_channels))
self.lins.append(Linear(hidden_channels, out_channels))
self.prop = APPNP(K, alpha)
self.dropout = dropout
def __init__(self,
K=5,
alpha=0.16,
hidden=128,
num_features=16,
num_class=2,
aggr='add',
num_layers=2):
super(My_APPNP, self).__init__()
self.lin1 = Linear(num_features, hidden)
self.convs = torch.nn.ModuleList()
for i in range(num_layers - 1):
self.convs.append(GCNConv(hidden, hidden))
self.lin2 = Linear(hidden, num_class)
self.prop1 = APPNP(K, alpha, aggr)
def __init__(self,
num_features,
hidden_size,
dropout=0.5,
activation="relu",
K=10,
alpha=0.1,
*args,
**kwargs):
super().__init__(*args, **kwargs)
self.lin1 = Linear(num_features, hidden_size)
self.lin2 = Linear(hidden_size, 1)
self.prop1 = APPNP(K, alpha)
self.dropout = dropout
assert activation in ["relu", "elu"]
self.activation = getattr(F, activation)
def __init__(self, dataset, channels, dropout=0.8, K=10, alpha=0.10):
super(MonoAPPNPModel, self).__init__()
self.dropout = dropout
if len(channels) > 1:
print(
'WARNING: Taking only the first hidden layer size, the rest is ignored.'
)
self.nn = nn.Sequential(
nn.Dropout(dropout),
nn.Linear(dataset.num_node_features, channels[0]),
nn.ReLU(),
nn.Dropout(dropout),
nn.Linear(channels[0], dataset.num_classes),
)
self.appnp = APPNP(K, alpha)
def __init__(self, dropout, k, alpha, hiddens, num_features, num_classes):
super(Net, self).__init__()
self.dropout = dropout
self.k = k
self.alpha = alpha
self.hiddens = hiddens
self.appnp_layers = torch.nn.ModuleList()
self.appnp_layers.append(Linear(num_features, hiddens[0]))
for i in range(1, len(hiddens)):
self.appnp_layers.append(Linear(hiddens[i - 1], hiddens[i]))
self.appnp_layers.append(Linear(hiddens[-1], num_classes))
#self.lin1 = Linear(dataset.num_features, args.hidden)
#self.lin2 = Linear(args.hidden, dataset.num_classes)
self.prop1 = APPNP(k, alpha)
def test_appnp():
in_channels, out_channels = (16, 32)
edge_index = torch.tensor([[0, 0, 0, 1, 2, 3], [1, 2, 3, 0, 0, 0]])
edge_weight = torch.rand(edge_index.size(1))
num_nodes = edge_index.max().item() + 1
x = torch.randn((num_nodes, in_channels))
lin = torch.nn.Linear(in_channels, out_channels)
conv = APPNP(K=10, alpha=0.1)
assert conv.__repr__() == 'APPNP(K=10, alpha=0.1)'
out1 = conv(lin(x), edge_index)
assert out1.size() == (num_nodes, out_channels)
out2 = conv(lin(x), edge_index, edge_weight)
assert out2.size() == (num_nodes, out_channels)
jit = torch.jit.script(conv.jittable())
assert jit(lin(x), edge_index).tolist() == out1.tolist()
assert jit(lin(x), edge_index, edge_weight).tolist() == out2.tolist()
def __init__(self, dim_input, n_heads, n_att_layers, dim_embedding,
dim_values, dim_hidden, K, alpha, weighted):
super(NodeEncoder, self).__init__()
# if the graph is weighted
self.weighted = weighted
if weighted:
# there are 4 features that are added to the input data
first_dim = dim_input + 2
else:
# else, only 2 features are added
first_dim = dim_input + 1
self.n_att_layers = n_att_layers
self.Lin1 = nn.Linear(first_dim, dim_embedding)
self.attention_layers = nn.ModuleList([
AttentionLayer(n_heads, dim_embedding, dim_values, dim_hidden)
for k in range(n_att_layers)
])
self.power = APPNP(K, alpha, bias=False).to(device)
def test_appnp():
x = torch.randn(4, 16)
edge_index = torch.tensor([[0, 0, 0, 1, 2, 3], [1, 2, 3, 0, 0, 0]])
row, col = edge_index
adj = SparseTensor(row=row, col=col, sparse_sizes=(4, 4))
conv = APPNP(K=10, alpha=0.1)
assert conv.__repr__() == 'APPNP(K=10, alpha=0.1)'
out = conv(x, edge_index)
assert out.size() == (4, 16)
assert torch.allclose(conv(x, adj.t()), out, atol=1e-6)
t = '(Tensor, Tensor, OptTensor) -> Tensor'
jit = torch.jit.script(conv.jittable(t))
assert jit(x, edge_index).tolist() == out.tolist()
t = '(Tensor, SparseTensor, OptTensor) -> Tensor'
jit = torch.jit.script(conv.jittable(t))
assert torch.allclose(jit(x, adj.t()), out, atol=1e-6)
def __init__(self,
in_channels,
hidden_channels,
out_channels,
num_iteration,
mlp_layers,
dropout,
alpha=0.1):
super(APPNPNet, self).__init__()
self.mlp = torch.nn.ModuleList()
self.mlp.append(torch.nn.Linear(in_channels, hidden_channels))
for _ in range(mlp_layers - 2):
self.mlp.append(torch.nn.Linear(hidden_channels, hidden_channels))
self.mlp.append(torch.nn.Linear(hidden_channels, out_channels))
self.appnp = APPNP(num_iteration,
alpha,
dropout=dropout,
normalize=False)
def generate_model(self, args):
self.gnn_layers = nn.ModuleList()
self.norm_layers = nn.ModuleList()
self.act_layers = nn.ModuleList()
# first conv layer
self.gnn_layers.append(
GNNLayer(self.in_channels, args.hidden_size, args.aggr_type,
args.conv_type))
self.norm_layers.append(NormLayer(args.norm_type, args.hidden_size))
self.act_layers.append(ActivationLayer(args.act_type))
# intermediate layers
if self.layer_aggr_type != 'dense':
for i in range(1, self.num_layers):
self.gnn_layers.append(
GNNLayer(args.hidden_size, args.hidden_size,
args.aggr_type, args.conv_type))
self.norm_layers.append(
NormLayer(args.norm_type, args.hidden_size))
self.act_layers.append(ActivationLayer(args.act_type))
else:
for i in range(1, self.num_layers):
self.gnn_layers.append(
GNNLayer(i * args.hidden_size, args.hidden_size,
args.aggr_type, args.conv_type))
self.norm_layers.append(
NormLayer(args.norm_type, args.hidden_size))
self.act_layers.append(ActivationLayer(args.act_type))
# last (output) layer
if self.layer_aggr_type == 'jk':
self.out_lin = nn.Linear(self.num_layers * args.hidden_size,
self.num_class)
else:
self.out_lin = nn.Linear(args.hidden_size, self.num_class)
if self.conv_type == 'appnp':
self.prop = APPNP(10, 0.1)
def __init__(self, in_dim, out_dim):
super().__init__()
self.prop = APPNP(K=10, alpha=0.2)
self.lin = nn.Linear(in_dim, out_dim)
self.sigma = nn.PReLU(out_dim)
self.reset_parameters()
def __init__(self, dataset):
super(Net, self).__init__()
self.lin1 = Linear(dataset.num_features, args.hidden)
self.lin2 = Linear(args.hidden, dataset.num_classes)
self.prop1 = APPNP(args.K, args.alpha)
def __init__(self,
in_channels=1,
hidden_channels=1,
out_channels=1,
normalize=False,
add_loop=False,
gnn_k=1,
gnn_type=1):
super(GNN, self).__init__()
self.add_loop = add_loop
self.bn1 = torch.nn.BatchNorm1d(hidden_channels)
self.bn2 = torch.nn.BatchNorm1d(out_channels)
self.k=gnn_k#number of repitiions of gnn
self.gnn_type=gnn_type
if gnn_type==0:
self.conv1 = DenseSAGEConv(in_channels=1, out_channels=hidden_channels, normalize=False)
self.conv2 = DenseSAGEConv(in_channels=hidden_channels, out_channels=out_channels, normalize=False)
if gnn_type==1:
self.conv1 = DenseSAGEConv(in_channels=1, out_channels=hidden_channels, normalize=True)
self.conv2 = DenseSAGEConv(in_channels=hidden_channels, out_channels=out_channels, normalize=True)
if gnn_type==2:
self.conv1 = GCNConv(in_channels=1, out_channels=hidden_channels, cached=True)
self.conv2 = GCNConv(in_channels=hidden_channels, out_channels=out_channels, cached=True)
if gnn_type==3:
self.conv1 = GCNConv(in_channels=1, out_channels=hidden_channels,improved=True, cached=True)
self.conv2 = GCNConv(in_channels=hidden_channels, out_channels=out_channels,improved=True, cached=True)
if gnn_type==4:
self.conv1 = ChebConv(in_channels=1, out_channels=hidden_channels,K=2)
self.conv2 = ChebConv(in_channels=hidden_channels, out_channels=out_channels,K=2)
if gnn_type==5:
self.conv1 = ChebConv(in_channels=1, out_channels=hidden_channels,K=4)
self.conv2 = ChebConv(in_channels=hidden_channels, out_channels=out_channels,K=4)
if gnn_type==6:
self.conv1 = GraphConv(in_channels=1, out_channels=hidden_channels,aggr='add')
self.conv2 = GraphConv(in_channels=hidden_channels, out_channels=out_channels,aggr='add')
if gnn_type==7:
self.conv1 = GatedGraphConv(in_channels=1,out_channels=hidden_channels, num_layers=3, aggr='add', bias=True)
self.conv2 = GatedGraphConv(in_channels=hidden_channels,out_channels=out_channels, num_layers=3, aggr='add', bias=True)
if gnn_type==8:
self.conv1 = GatedGraphConv(in_channels=1,out_channels=hidden_channels, num_layers=7, aggr='add', bias=True)
self.conv2 = GatedGraphConv(in_channels=hidden_channels,out_channels=out_channels, num_layers=7, aggr='add', bias=True)
if gnn_type==9:
self.conv1 =GATConv(in_channels=1,out_channels=hidden_channels, heads=1, concat=True, negative_slope=0.2,dropout=0.6)
self.conv2 =GATConv(in_channels=hidden_channels,out_channels=out_channels, heads=1, concat=True, negative_slope=0.2,dropout=0.6)
if gnn_type==10:
self.conv1 =GATConv(in_channels=1,out_channels=hidden_channels, heads=6, concat=False, negative_slope=0.2,dropout=0.6)
self.conv2 =GATConv(in_channels=hidden_channels,out_channels=out_channels, heads=6, concat=False, negative_slope=0.2,dropout=0.6)
if gnn_type==11:
self.conv1 =GATConv(in_channels=1,out_channels=hidden_channels, heads=4, concat=True, negative_slope=0.2,dropout=0.6)
self.conv2 =GATConv(in_channels=hidden_channels,out_channels=out_channels, heads=4, concat=True, negative_slope=0.2,dropout=0.6)
if gnn_type==12:
self.conv1 =GATConv(in_channels=1,out_channels=hidden_channels, heads=4, concat=False, negative_slope=0.2,dropout=0.6)
self.conv2 =GATConv(in_channels=hidden_channels,out_channels=out_channels, heads=4, concat=False, negative_slope=0.2,dropout=0.6)
if gnn_type==13:
self.conv1 = AGNNConv(requires_grad=True)
self.conv2 = AGNNConv(requires_grad=True)
if gnn_type==14:
self.conv1 = ARMAConv(in_channels=1, out_channel=hidden_channels, num_stacks=1, num_layers=1, \
shared_weights=False, act=F.relu, dropout=0.5, bias=True)
self.conv2 = ARMAConv(in_channels=hidden_channels, out_channel=out_channels, num_stacks=1, num_layers=1, \
shared_weights=False, act=F.relu, dropout=0.5, bias=True)
if gnn_type==15:
self.conv1 = SGConv(in_channels=1, out_channels=hidden_channels, K=1, cached=True, bias=True)
self.conv2 = SGConv(in_channels=hidden_channels, out_channels=out_channels, K=1, cached=True, bias=True)
if gnn_type==16:
self.conv1 = SGConv(in_channels=1, out_channels=hidden_channels, K=3, cached=True, bias=True)
self.conv2 = SGConv(in_channels=hidden_channels, out_channels=out_channels, K=3, cached=True, bias=True)
if gnn_type==17:
self.conv1 = APPNP(K=1, alpha=0.2, bias=True)
self.conv2 = APPNP(K=1, alpha=0.2, bias=True)
if gnn_type==18:
self.conv1 = APPNP(K=3, alpha=0.2, bias=True)
self.conv2 = APPNP(K=3, alpha=0.2, bias=True)
if gnn_type==19:
self.conv1 =RGCNConv(in_channels=1, out_channels=hidden_channels, num_relations=3, num_bases=2, bias=True)
self.conv2 =RGCNConv(in_channels=hidden_channels, out_channels=out_channels, num_relations=3, num_bases=2, bias=True)
# =============================================================================
# if gnn_type==20:
# self.conv1 = SignedConv(in_channels=1, out_channels=hidden_channels, first_aggr=True, bias=True)
# self.conv2 = SignedConv(in_channels=hidden_channels, out_channels=out_channels, first_aggr=True, bias=True)
# if gnn_type==21:
# self.conv1 =SignedConv(in_channels=1, out_channels=hidden_channels, first_aggr=False, bias=True)
# self.conv2 =SignedConv(in_channels=hidden_channels, out_channels=out_channels, first_aggr=False, bias=True)
# if gnn_type==22:
# self.conv1 = GMMConv(in_channels=1, out_channels=hidden_channels, dim=2, kernel_size=3, bias=True)
# self.conv2 = GMMConv(in_channels=hidden_channels, out_channels=out_channels, dim=2, kernel_size=3, bias=True)
# if gnn_type==23:
# self.conv1 = GMMConv(in_channels=1, out_channels=hidden_channels, dim=5, kernel_size=3, bias=True)
# self.conv2 = GMMConv(in_channels=hidden_channels, out_channels=out_channels, dim=5, kernel_size=3, bias=True)
# if gnn_type==24:
# self.conv1 = GMMConv(in_channels=1, out_channels=hidden_channels, dim=2, kernel_size=3, bias=True)
# self.conv2 = GMMConv(in_channels=hidden_channels, out_channels=out_channels, dim=2, kernel_size=3, bias=True)
# =============================================================================
if gnn_type==25:
self.conv1 = SplineConv(in_channels=1, out_channels=hidden_channels, dim=2, kernel_size=3, is_open_spline=True, \
degree=1, norm=True, root_weight=True, bias=True)
self.conv2 = SplineConv(in_channels=hidden_channels, out_channels=out_channels, dim=2, kernel_size=3, is_open_spline=True, \
degree=1, norm=True, root_weight=True, bias=True)
if gnn_type==26:
self.conv1 = SplineConv(in_channels=1, out_channels=hidden_channels, dim=3, kernel_size=3, is_open_spline=False, \
degree=1, norm=True, root_weight=True, bias=True)
self.conv2 = SplineConv(in_channels=hidden_channels, out_channels=out_channels, dim=3, kernel_size=3, is_open_spline=False, \
degree=1, norm=True, root_weight=True, bias=True)
if gnn_type==27:
self.conv1 = SplineConv(in_channels=1, out_channels=hidden_channels, dim=3, kernel_size=6, is_open_spline=True, \
degree=1, norm=True, root_weight=True, bias=True)
self.conv2 = SplineConv(in_channels=hidden_channels, out_channels=out_channels, dim=3, kernel_size=6, is_open_spline=True, \
degree=1, norm=True, root_weight=True, bias=True)
if gnn_type==28:
self.conv1 = SplineConv(in_channels=1, out_channels=hidden_channels, dim=3, kernel_size=3, is_open_spline=True, \
degree=3, norm=True, root_weight=True, bias=True)
self.conv2 = SplineConv(in_channels=hidden_channels, out_channels=out_channels, dim=3, kernel_size=3, is_open_spline=True, \
degree=3, norm=True, root_weight=True, bias=True)
if gnn_type==29:
self.conv1 = SplineConv(in_channels=1, out_channels=hidden_channels, dim=3, kernel_size=6, is_open_spline=True, \
degree=3, norm=True, root_weight=True, bias=True)
self.conv2 = SplineConv(in_channels=hidden_channels, out_channels=out_channels, dim=3, kernel_size=6, is_open_spline=True, \
degree=3, norm=True, root_weight=True, bias=True)
def __init__(self, input_channels, hidden_channels, out_channels, K=10, alpha=0.1):
super().__init__()
self.lin1 = Linear(input_channels, hidden_channels)
self.lin2 = Linear(hidden_channels, out_channels)
self.prop = APPNP(K, alpha)
def __init__(
self,
in_channels=1,
hidden_channels=1,
out_channels=1,
normalize=False,
add_loop=False,
gnn_k=1,
gnn_type=1,
jump=None, #None,max,lstm
res=False,
activation='leaky'):
super(GNN, self).__init__()
self.add_loop = add_loop
self.in_channels = in_channels
self.bn1 = torch.nn.BatchNorm1d(hidden_channels)
self.bn2 = torch.nn.BatchNorm1d(out_channels)
self.k = gnn_k #number of repitiions of gnn
self.gnn_type = gnn_type
self.jump = jump
if not (jump is None):
if jump != 'lstm':
self.jk = JumpingKnowledge(jump)
else:
self.jk = JumpingKnowledge(jump, out_channels, gnn_k)
if activation == 'leaky':
self.activ = F.leaky_relu
elif activation == 'elu':
self.activ = F.elu
elif activation == 'relu':
self.activ = F.relu
self.res = res
if self.gnn_type in [10, 12] and self.res == True:
raise Exception('res must be false when gnn_type==10 or 12!')
if self.k == 1 and self.res == True:
raise Exception('res must be false when gnn_k==1!')
if self.k == 1 and not (self.jump is None):
raise Exception(
'jumping knowledge only serves for the case where k>1!')
if gnn_type == 0:
self.conv1 = DenseSAGEConv(in_channels=self.in_channels,
out_channels=out_channels,
normalize=False)
self.conv2 = DenseSAGEConv(in_channels=hidden_channels,
out_channels=out_channels,
normalize=False)
if gnn_type == 1:
self.conv1 = DenseSAGEConv(in_channels=self.in_channels,
out_channels=out_channels,
normalize=True)
self.conv2 = DenseSAGEConv(in_channels=hidden_channels,
out_channels=out_channels,
normalize=True)
if gnn_type == 2:
self.conv1 = GCNConv(in_channels=1,
out_channels=out_channels,
cached=False)
self.conv2 = GCNConv(in_channels=hidden_channels,
out_channels=out_channels,
cached=False)
if gnn_type == 3:
self.conv1 = GCNConv(in_channels=1,
out_channels=out_channels,
improved=True,
cached=False)
self.conv2 = GCNConv(in_channels=hidden_channels,
out_channels=out_channels,
improved=True,
cached=False)
if gnn_type == 4:
self.conv1 = ChebConv(in_channels=1,
out_channels=out_channels,
K=2)
self.conv2 = ChebConv(in_channels=hidden_channels,
out_channels=out_channels,
K=2)
if gnn_type == 5:
self.conv1 = ChebConv(in_channels=1,
out_channels=out_channels,
K=4)
self.conv2 = ChebConv(in_channels=hidden_channels,
out_channels=out_channels,
K=4)
if gnn_type == 6:
self.conv1 = GraphConv(in_channels=1,
out_channels=out_channels,
aggr='add')
self.conv2 = GraphConv(in_channels=hidden_channels,
out_channels=out_channels,
aggr='add')
if gnn_type == 7:
self.conv1 = GatedGraphConv(out_channels=out_channels,
num_layers=3,
aggr='add',
bias=True)
self.conv2 = GatedGraphConv(out_channels=out_channels,
num_layers=3,
aggr='add',
bias=True)
if gnn_type == 8:
self.conv1 = GatedGraphConv(out_channels=out_channels,
num_layers=7,
aggr='add',
bias=True)
self.conv2 = GatedGraphConv(out_channels=out_channels,
num_layers=7,
aggr='add',
bias=True)
if gnn_type == 9:
self.conv1 = GATConv(in_channels=1,
out_channels=out_channels,
heads=1,
concat=True,
negative_slope=0.2,
dropout=0)
self.conv2 = GATConv(in_channels=hidden_channels,
out_channels=out_channels,
heads=1,
concat=True,
negative_slope=0.2,
dropout=0.6)
if gnn_type == 10:
self.conv1 = GATConv(in_channels=1,
out_channels=out_channels,
heads=6,
concat=False,
negative_slope=0.2,
dropout=0.6)
self.conv2 = GATConv(in_channels=hidden_channels,
out_channels=out_channels,
heads=6,
concat=False,
negative_slope=0.2,
dropout=0.6)
if gnn_type == 11:
self.conv1 = GATConv(in_channels=1,
out_channels=out_channels,
heads=4,
concat=True,
negative_slope=0.2,
dropout=0)
self.conv2 = GATConv(in_channels=hidden_channels,
out_channels=out_channels,
heads=4,
concat=True,
negative_slope=0.2,
dropout=0.6)
if gnn_type == 12:
self.conv1 = GATConv(in_channels=1,
out_channels=out_channels,
heads=4,
concat=False,
negative_slope=0.2,
dropout=0.6)
self.conv2 = GATConv(in_channels=hidden_channels,
out_channels=out_channels,
heads=4,
concat=False,
negative_slope=0.2,
dropout=0.6)
if gnn_type == 13:
self.conv1 = AGNNConv(requires_grad=True)
self.conv2 = AGNNConv(requires_grad=True)
if gnn_type == 14:
self.conv1 = ARMAConv(in_channels=1,
out_channels=hidden_channels,
num_stacks=1,
num_layers=1,
shared_weights=False,
act=F.relu,
dropout=0.5,
bias=True)
self.conv2 = ARMAConv(in_channels=hidden_channels,
out_channels=out_channels,
num_stacks=1,
num_layers=1,
shared_weights=False,
act=F.relu,
dropout=0.5,
bias=True)
if gnn_type == 15:
self.conv1 = SGConv(in_channels=1,
out_channels=out_channels,
K=1,
cached=True,
bias=True)
self.conv2 = SGConv(in_channels=hidden_channels,
out_channels=out_channels,
K=1,
cached=True,
bias=True)
if gnn_type == 16:
self.conv1 = SGConv(in_channels=1,
out_channels=out_channels,
K=3,
cached=True,
bias=True)
self.conv2 = SGConv(in_channels=hidden_channels,
out_channels=out_channels,
K=3,
cached=True,
bias=True)
if gnn_type == 17:
self.conv1 = APPNP(K=1, alpha=0.2, bias=True)
self.conv2 = APPNP(K=1, alpha=0.2, bias=True)
if gnn_type == 18:
self.conv1 = APPNP(K=3, alpha=0.2, bias=True)
self.conv2 = APPNP(K=3, alpha=0.2, bias=True)
if gnn_type == 19:
self.conv1 = RGCNConv(in_channels=1,
out_channels=out_channels,
num_relations=3,
num_bases=2,
bias=True)
self.conv2 = RGCNConv(in_channels=hidden_channels,
out_channels=out_channels,
num_relations=3,
num_bases=2,
bias=True)
# =============================================================================
# if gnn_type==20:
# self.conv1 = SignedConv(in_channels=1, out_channels=out_channels, first_aggr=True, bias=True)
# self.conv2 = SignedConv(in_channels=hidden_channels, out_channels=out_channels, first_aggr=True, bias=True)
# if gnn_type==21:
# self.conv1 =SignedConv(in_channels=1, out_channels=out_channels, first_aggr=False, bias=True)
# self.conv2 =SignedConv(in_channels=hidden_channels, out_channels=out_channels, first_aggr=False, bias=True)
# if gnn_type==22:
# self.conv1 = GMMConv(in_channels=1, out_channels=out_channels, dim=2, kernel_size=3, bias=True)
# self.conv2 = GMMConv(in_channels=hidden_channels, out_channels=out_channels, dim=2, kernel_size=3, bias=True)
# if gnn_type==23:
# self.conv1 = GMMConv(in_channels=1, out_channels=out_channels, dim=5, kernel_size=3, bias=True)
# self.conv2 = GMMConv(in_channels=hidden_channels, out_channels=out_channels, dim=5, kernel_size=3, bias=True)
# if gnn_type==24:
# self.conv1 = GMMConv(in_channels=1, out_channels=out_channels, dim=2, kernel_size=3, bias=True)
# self.conv2 = GMMConv(in_channels=hidden_channels, out_channels=out_channels, dim=2, kernel_size=3, bias=True)
# =============================================================================
if gnn_type == 25:
self.conv1 = SplineConv(in_channels=1,
out_channels=out_channels,
dim=2,
kernel_size=3,
is_open_spline=True,
degree=1,
norm=True,
root_weight=True,
bias=True)
self.conv2 = SplineConv(in_channels=hidden_channels,
out_channels=out_channels,
dim=2,
kernel_size=3,
is_open_spline=True,
degree=1,
norm=True,
root_weight=True,
bias=True)
if gnn_type == 26:
self.conv1 = SplineConv(in_channels=1,
out_channels=out_channels,
dim=3,
kernel_size=3,
is_open_spline=False,
degree=1,
norm=True,
root_weight=True,
bias=True)
self.conv2 = SplineConv(in_channels=hidden_channels,
out_channels=out_channels,
dim=3,
kernel_size=3,
is_open_spline=False,
degree=1,
norm=True,
root_weight=True,
bias=True)
if gnn_type == 27:
self.conv1 = SplineConv(in_channels=1,
out_channels=out_channels,
dim=3,
kernel_size=6,
is_open_spline=True,
degree=1,
norm=True,
root_weight=True,
bias=True)
self.conv2 = SplineConv(in_channels=hidden_channels,
out_channels=out_channels,
dim=3,
kernel_size=6,
is_open_spline=True,
degree=1,
norm=True,
root_weight=True,
bias=True)
if gnn_type == 28:
self.conv1 = SplineConv(in_channels=1,
out_channels=out_channels,
dim=3,
kernel_size=3,
is_open_spline=True,
degree=3,
norm=True,
root_weight=True,
bias=True)
self.conv2 = SplineConv(in_channels=hidden_channels,
out_channels=out_channels,
dim=3,
kernel_size=3,
is_open_spline=True,
degree=3,
norm=True,
root_weight=True,
bias=True)
if gnn_type == 29:
self.conv1 = SplineConv(in_channels=1,
out_channels=out_channels,
dim=3,
kernel_size=6,
is_open_spline=True,
degree=3,
norm=True,
root_weight=True,
bias=True)
self.conv2 = SplineConv(in_channels=hidden_channels,
out_channels=out_channels,
dim=3,
kernel_size=6,
is_open_spline=True,
degree=3,
norm=True,
root_weight=True,
bias=True)
def __init__(
self,
num_feats,
max_nodes,
num_classes,
num_heads,
hidden_dim,
num_keys,
mem_hidden_dim=100,
variant="gmn",
use_deeper: bool = False,
num_layers: Optional[int] = None,
dropout: Optional[float] = None,
block: Optional[str] = None,
conv_encode_edge: Optional[bool] = None,
add_virtual_node: Optional[bool] = None,
conv: Optional[str] = None,
gcn_aggr: Optional[str] = None,
t: Optional[float] = None,
learn_t: Optional[bool] = None,
p: Optional[float] = None,
learn_p: Optional[bool] = None,
y: Optional[float] = None,
learn_y: Optional[bool] = None,
msg_norm: Optional[bool] = None,
learn_msg_scale: Optional[bool] = None,
norm: Optional[str] = None,
mlp_layers: Optional[int] = None,
use_appnp: bool = False,
k: int = 10,
alpha: float = 0.1,
mlp_hidden_dim: int = 50,
):
super(GMN, self).__init__()
self.k = k
self.alpha = alpha
self.use_deeper = use_deeper
self.num_features = num_feats
self.max_nodes = max_nodes
self.num_classes = num_classes
self.num_heads = num_heads
self.num_keys = num_keys
self.variant = variant
self.atom_encoder = AtomEncoder(emb_dim=hidden_dim)
self.q0s = torch.nn.ModuleDict()
self.q0s[Q0LayerType.with_edge] = GCNConv(hidden_dim, aggr="add")
if use_deeper:
deeper_gcn = deeper.DeeperGCN(
num_layers=num_layers,
dropout=dropout,
block=block,
conv_encode_edge=conv_encode_edge,
add_virtual_node=add_virtual_node,
hidden_channels=hidden_dim,
num_tasks=None,
conv=conv,
gcn_aggr=gcn_aggr,
t=t,
learn_t=learn_t,
p=p,
learn_p=learn_p,
y=y,
learn_y=learn_y,
msg_norm=msg_norm,
learn_msg_scale=learn_msg_scale,
norm=norm,
mlp_layers=mlp_layers,
graph_pooling=None,
node_encoder=True,
encode_atom=False,
)
self.q0s[Q0LayerType.deeper] = deeper_gcn
if use_appnp:
self.q0s[Q0LayerType.no_edge] = APPNP(K=self.k, alpha=self.alpha)
self.bn = nn.BatchNorm1d(hidden_dim)
self.q0_second = GraphConv(hidden_dim * len(self.q0s), hidden_dim)
self.mem_layers = nn.ModuleList()
max_dims = [self.max_nodes]
for idx, num_keys in enumerate(self.num_keys):
max_dims.append(num_keys)
num_feats = hidden_dim if idx == 0 else mem_hidden_dim
self.mem_layers.append(
MemConv(
num_features=num_feats,
heads=self.num_heads,
num_keys=num_keys,
dim_out=mem_hidden_dim,
variant=variant,
max_queries=max_dims[idx],
))
self.mlp = nn.Sequential(
Linear(mem_hidden_dim, mlp_hidden_dim),
nn.LeakyReLU(),
Linear(mlp_hidden_dim, self.num_classes),
)
def __init__(self):
super(Net, self).__init__()
self.lin1 = Linear(data.x.shape[1], 64)
self.lin2 = Linear(64, int(max(data.y)) + 1)
self.prop1 = APPNP(10, 0.1)
def __init__(self, n_features, n_classes, n_hidden, k_hops, alpha, p_dropout=0.5):
super().__init__()
self.lin1 = SparseLinear(n_features, n_hidden, bias=False)
self.lin2 = nn.Linear(n_hidden, n_classes, bias=False)
self.prop = APPNP(k_hops, alpha)
self.p_dropout = p_dropout
def __init__(self, input_dim, hidden_dim, num_classes, dropout, K, alpha):
super(My_APPNP, self).__init__()
self.dropout = dropout
self.lin1 = Linear(input_dim, hidden_dim)
self.lin2 = Linear(hidden_dim, num_classes)
self.prop1 = APPNP(K, alpha)