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Unverified Commit 2b983869 authored by Hongzhi (Steve), Chen's avatar Hongzhi (Steve), Chen Committed by GitHub
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[Misc] Black auto fix. (#4705) 


Co-authored-by: default avatarSteve <ubuntu@ip-172-31-34-29.ap-northeast-1.compute.internal>
parent 408eba24
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tools/utils/array_readwriter/numpy_array.py
View file @ 2b983869
import logging import logging
import numpy as np import numpy as np
from numpy.lib.format import open_memmap from numpy.lib.format import open_memmap
from .registry import register_array_parser from .registry import register_array_parser
@register_array_parser("numpy") @register_array_parser("numpy")
class NumpyArrayParser(object): class NumpyArrayParser(object):
def __init__(self): def __init__(self):
pass pass
def read(self, path): def read(self, path):
logging.info('Reading from %s using numpy format' % path) logging.info("Reading from %s using numpy format" % path)
arr = np.load(path, mmap_mode='r') arr = np.load(path, mmap_mode="r")
logging.info('Done reading from %s' % path) logging.info("Done reading from %s" % path)
return arr return arr
def write(self, path, arr): def write(self, path, arr):
logging.info('Writing to %s using numpy format' % path) logging.info("Writing to %s using numpy format" % path)
# np.save would load the entire memmap array up into CPU. So we manually open # np.save would load the entire memmap array up into CPU. So we manually open
# an empty npy file with memmap mode and manually flush it instead. # an empty npy file with memmap mode and manually flush it instead.
new_arr = open_memmap(path, mode='w+', dtype=arr.dtype, shape=arr.shape) new_arr = open_memmap(path, mode="w+", dtype=arr.dtype, shape=arr.shape)
new_arr[:] = arr[:] new_arr[:] = arr[:]
logging.info('Done writing to %s' % path) logging.info("Done writing to %s" % path)
tools/utils/array_readwriter/registry.py
View file @ 2b983869
REGISTRY = {} REGISTRY = {}
def register_array_parser(name): def register_array_parser(name):
def _deco(cls): def _deco(cls):
REGISTRY[name] = cls REGISTRY[name] = cls
return cls return cls
return _deco return _deco
def get_array_parser(**fmt_meta): def get_array_parser(**fmt_meta):
cls = REGISTRY[fmt_meta.pop('name')] cls = REGISTRY[fmt_meta.pop("name")]
return cls(**fmt_meta) return cls(**fmt_meta)
tools/utils/files.py
View file @ 2b983869
import logging
import os import os
from contextlib import contextmanager from contextlib import contextmanager
import logging
from numpy.lib.format import open_memmap from numpy.lib.format import open_memmap
@contextmanager @contextmanager
def setdir(path): def setdir(path):
try: try:
os.makedirs(path, exist_ok=True) os.makedirs(path, exist_ok=True)
cwd = os.getcwd() cwd = os.getcwd()
logging.info('Changing directory to %s' % path) logging.info("Changing directory to %s" % path)
logging.info('Previously: %s' % cwd) logging.info("Previously: %s" % cwd)
os.chdir(path) os.chdir(path)
yield yield
finally: finally:
logging.info('Restoring directory to %s' % cwd) logging.info("Restoring directory to %s" % cwd)
os.chdir(cwd) os.chdir(cwd)
tutorials/blitz/1_introduction.py
View file @ 2b983869
...@@ -21,11 +21,12 @@ networks with PyTorch. ...@@ -21,11 +21,12 @@ networks with PyTorch.
""" """
import dgl
import torch import torch
import torch.nn as nn import torch.nn as nn
import torch.nn.functional as F import torch.nn.functional as F
import dgl
import dgl.data
###################################################################### ######################################################################
# Overview of Node Classification with GNN # Overview of Node Classification with GNN
...@@ -59,10 +60,9 @@ import torch.nn.functional as F ...@@ -59,10 +60,9 @@ import torch.nn.functional as F
# -------------------- # --------------------
# #
import dgl.data
dataset = dgl.data.CoraGraphDataset() dataset = dgl.data.CoraGraphDataset()
print('Number of categories:', dataset.num_classes) print("Number of categories:", dataset.num_classes)
###################################################################### ######################################################################
...@@ -92,9 +92,9 @@ g = dataset[0] ...@@ -92,9 +92,9 @@ g = dataset[0]
# - ``feat``: The node features. # - ``feat``: The node features.
# #
print('Node features') print("Node features")
print(g.ndata) print(g.ndata)
print('Edge features') print("Edge features")
print(g.edata) print(g.edata)
...@@ -113,6 +113,7 @@ print(g.edata) ...@@ -113,6 +113,7 @@ print(g.edata)
from dgl.nn import GraphConv from dgl.nn import GraphConv
class GCN(nn.Module): class GCN(nn.Module):
def __init__(self, in_feats, h_feats, num_classes): def __init__(self, in_feats, h_feats, num_classes):
super(GCN, self).__init__() super(GCN, self).__init__()
...@@ -125,8 +126,9 @@ class GCN(nn.Module): ...@@ -125,8 +126,9 @@ class GCN(nn.Module):
h = self.conv2(g, h) h = self.conv2(g, h)
return h return h
# Create the model with given dimensions # Create the model with given dimensions
model = GCN(g.ndata['feat'].shape[1], 16, dataset.num_classes) model = GCN(g.ndata["feat"].shape[1], 16, dataset.num_classes)
###################################################################### ######################################################################
...@@ -142,16 +144,17 @@ model = GCN(g.ndata['feat'].shape[1], 16, dataset.num_classes) ...@@ -142,16 +144,17 @@ model = GCN(g.ndata['feat'].shape[1], 16, dataset.num_classes)
# Training this GCN is similar to training other PyTorch neural networks. # Training this GCN is similar to training other PyTorch neural networks.
# #
def train(g, model): def train(g, model):
optimizer = torch.optim.Adam(model.parameters(), lr=0.01) optimizer = torch.optim.Adam(model.parameters(), lr=0.01)
best_val_acc = 0 best_val_acc = 0
best_test_acc = 0 best_test_acc = 0
features = g.ndata['feat'] features = g.ndata["feat"]
labels = g.ndata['label'] labels = g.ndata["label"]
train_mask = g.ndata['train_mask'] train_mask = g.ndata["train_mask"]
val_mask = g.ndata['val_mask'] val_mask = g.ndata["val_mask"]
test_mask = g.ndata['test_mask'] test_mask = g.ndata["test_mask"]
for e in range(100): for e in range(100):
# Forward # Forward
logits = model(g, features) logits = model(g, features)
...@@ -179,9 +182,14 @@ def train(g, model): ...@@ -179,9 +182,14 @@ def train(g, model):
optimizer.step() optimizer.step()
if e % 5 == 0: if e % 5 == 0:
print('In epoch {}, loss: {:.3f}, val acc: {:.3f} (best {:.3f}), test acc: {:.3f} (best {:.3f})'.format( print(
e, loss, val_acc, best_val_acc, test_acc, best_test_acc)) "In epoch {}, loss: {:.3f}, val acc: {:.3f} (best {:.3f}), test acc: {:.3f} (best {:.3f})".format(
model = GCN(g.ndata['feat'].shape[1], 16, dataset.num_classes) e, loss, val_acc, best_val_acc, test_acc, best_test_acc
)
)
model = GCN(g.ndata["feat"].shape[1], 16, dataset.num_classes)
train(g, model) train(g, model)
......
tutorials/blitz/2_dglgraph.py
View file @ 2b983869
...@@ -30,13 +30,17 @@ By the end of this tutorial you will be able to: ...@@ -30,13 +30,17 @@ By the end of this tutorial you will be able to:
# center node to the leaves. # center node to the leaves.
# #
import dgl
import numpy as np import numpy as np
import torch import torch
import dgl
g = dgl.graph(([0, 0, 0, 0, 0], [1, 2, 3, 4, 5]), num_nodes=6) g = dgl.graph(([0, 0, 0, 0, 0], [1, 2, 3, 4, 5]), num_nodes=6)
# Equivalently, PyTorch LongTensors also work. # Equivalently, PyTorch LongTensors also work.
g = dgl.graph((torch.LongTensor([0, 0, 0, 0, 0]), torch.LongTensor([1, 2, 3, 4, 5])), num_nodes=6) g = dgl.graph(
(torch.LongTensor([0, 0, 0, 0, 0]), torch.LongTensor([1, 2, 3, 4, 5])),
num_nodes=6,
)
# You can omit the number of nodes argument if you can tell the number of nodes from the edge list alone. # You can omit the number of nodes argument if you can tell the number of nodes from the edge list alone.
g = dgl.graph(([0, 0, 0, 0, 0], [1, 2, 3, 4, 5])) g = dgl.graph(([0, 0, 0, 0, 0], [1, 2, 3, 4, 5]))
...@@ -81,13 +85,13 @@ print(g.edges()) ...@@ -81,13 +85,13 @@ print(g.edges())
# #
# Assign a 3-dimensional node feature vector for each node. # Assign a 3-dimensional node feature vector for each node.
g.ndata['x'] = torch.randn(6, 3) g.ndata["x"] = torch.randn(6, 3)
# Assign a 4-dimensional edge feature vector for each edge. # Assign a 4-dimensional edge feature vector for each edge.
g.edata['a'] = torch.randn(5, 4) g.edata["a"] = torch.randn(5, 4)
# Assign a 5x4 node feature matrix for each node. Node and edge features in DGL can be multi-dimensional. # Assign a 5x4 node feature matrix for each node. Node and edge features in DGL can be multi-dimensional.
g.ndata['y'] = torch.randn(6, 5, 4) g.ndata["y"] = torch.randn(6, 5, 4)
print(g.edata['a']) print(g.edata["a"])
###################################################################### ######################################################################
...@@ -163,13 +167,13 @@ print(sg2.edata[dgl.EID]) ...@@ -163,13 +167,13 @@ print(sg2.edata[dgl.EID])
# #
# The original node feature of each node in sg1 # The original node feature of each node in sg1
print(sg1.ndata['x']) print(sg1.ndata["x"])
# The original edge feature of each node in sg1 # The original edge feature of each node in sg1
print(sg1.edata['a']) print(sg1.edata["a"])
# The original node feature of each node in sg2 # The original node feature of each node in sg2
print(sg2.ndata['x']) print(sg2.ndata["x"])
# The original edge feature of each node in sg2 # The original edge feature of each node in sg2
print(sg2.edata['a']) print(sg2.edata["a"])
###################################################################### ######################################################################
...@@ -195,13 +199,13 @@ print(newg.edges()) ...@@ -195,13 +199,13 @@ print(newg.edges())
# #
# Save graphs # Save graphs
dgl.save_graphs('graph.dgl', g) dgl.save_graphs("graph.dgl", g)
dgl.save_graphs('graphs.dgl', [g, sg1, sg2]) dgl.save_graphs("graphs.dgl", [g, sg1, sg2])
# Load graphs # Load graphs
(g,), _ = dgl.load_graphs('graph.dgl') (g,), _ = dgl.load_graphs("graph.dgl")
print(g) print(g)
(g, sg1, sg2), _ = dgl.load_graphs('graphs.dgl') (g, sg1, sg2), _ = dgl.load_graphs("graphs.dgl")
print(g) print(g)
print(sg1) print(sg1)
print(sg2) print(sg2)
......
tutorials/blitz/3_message_passing.py
View file @ 2b983869
...@@ -18,11 +18,12 @@ GNN for node classification <1_introduction>`. ...@@ -18,11 +18,12 @@ GNN for node classification <1_introduction>`.
""" """
import dgl
import torch import torch
import torch.nn as nn import torch.nn as nn
import torch.nn.functional as F import torch.nn.functional as F
import dgl
import dgl.function as fn
###################################################################### ######################################################################
# Message passing and GNNs # Message passing and GNNs
...@@ -80,7 +81,6 @@ import torch.nn.functional as F ...@@ -80,7 +81,6 @@ import torch.nn.functional as F
# here is how you can implement GraphSAGE convolution in DGL by your own. # here is how you can implement GraphSAGE convolution in DGL by your own.
# #
import dgl.function as fn
class SAGEConv(nn.Module): class SAGEConv(nn.Module):
"""Graph convolution module used by the GraphSAGE model. """Graph convolution module used by the GraphSAGE model.
...@@ -92,6 +92,7 @@ class SAGEConv(nn.Module): ...@@ -92,6 +92,7 @@ class SAGEConv(nn.Module):
out_feat : int out_feat : int
Output feature size. Output feature size.
""" """
def __init__(self, in_feat, out_feat): def __init__(self, in_feat, out_feat):
super(SAGEConv, self).__init__() super(SAGEConv, self).__init__()
# A linear submodule for projecting the input and neighbor feature to the output. # A linear submodule for projecting the input and neighbor feature to the output.
...@@ -108,10 +109,13 @@ class SAGEConv(nn.Module): ...@@ -108,10 +109,13 @@ class SAGEConv(nn.Module):
The input node feature. The input node feature.
""" """
with g.local_scope(): with g.local_scope():
g.ndata['h'] = h g.ndata["h"] = h
# update_all is a message passing API. # update_all is a message passing API.
g.update_all(message_func=fn.copy_u('h', 'm'), reduce_func=fn.mean('m', 'h_N')) g.update_all(
h_N = g.ndata['h_N'] message_func=fn.copy_u("h", "m"),
reduce_func=fn.mean("m", "h_N"),
)
h_N = g.ndata["h_N"]
h_total = torch.cat([h, h_N], dim=1) h_total = torch.cat([h, h_N], dim=1)
return self.linear(h_total) return self.linear(h_total)
...@@ -140,6 +144,7 @@ class SAGEConv(nn.Module): ...@@ -140,6 +144,7 @@ class SAGEConv(nn.Module):
# a multi-layer GraphSAGE network. # a multi-layer GraphSAGE network.
# #
class Model(nn.Module): class Model(nn.Module):
def __init__(self, in_feats, h_feats, num_classes): def __init__(self, in_feats, h_feats, num_classes):
super(Model, self).__init__() super(Model, self).__init__()
...@@ -165,17 +170,18 @@ import dgl.data ...@@ -165,17 +170,18 @@ import dgl.data
dataset = dgl.data.CoraGraphDataset() dataset = dgl.data.CoraGraphDataset()
g = dataset[0] g = dataset[0]
def train(g, model): def train(g, model):
optimizer = torch.optim.Adam(model.parameters(), lr=0.01) optimizer = torch.optim.Adam(model.parameters(), lr=0.01)
all_logits = [] all_logits = []
best_val_acc = 0 best_val_acc = 0
best_test_acc = 0 best_test_acc = 0
features = g.ndata['feat'] features = g.ndata["feat"]
labels = g.ndata['label'] labels = g.ndata["label"]
train_mask = g.ndata['train_mask'] train_mask = g.ndata["train_mask"]
val_mask = g.ndata['val_mask'] val_mask = g.ndata["val_mask"]
test_mask = g.ndata['test_mask'] test_mask = g.ndata["test_mask"]
for e in range(200): for e in range(200):
# Forward # Forward
logits = model(g, features) logits = model(g, features)
...@@ -205,10 +211,14 @@ def train(g, model): ...@@ -205,10 +211,14 @@ def train(g, model):
all_logits.append(logits.detach()) all_logits.append(logits.detach())
if e % 5 == 0: if e % 5 == 0:
print('In epoch {}, loss: {:.3f}, val acc: {:.3f} (best {:.3f}), test acc: {:.3f} (best {:.3f})'.format( print(
e, loss, val_acc, best_val_acc, test_acc, best_test_acc)) "In epoch {}, loss: {:.3f}, val acc: {:.3f} (best {:.3f}), test acc: {:.3f} (best {:.3f})".format(
e, loss, val_acc, best_val_acc, test_acc, best_test_acc
)
)
model = Model(g.ndata['feat'].shape[1], 16, dataset.num_classes)
model = Model(g.ndata["feat"].shape[1], 16, dataset.num_classes)
train(g, model) train(g, model)
...@@ -230,6 +240,7 @@ train(g, model) ...@@ -230,6 +240,7 @@ train(g, model)
# passing. # passing.
# #
class WeightedSAGEConv(nn.Module): class WeightedSAGEConv(nn.Module):
"""Graph convolution module used by the GraphSAGE model with edge weights. """Graph convolution module used by the GraphSAGE model with edge weights.
...@@ -240,6 +251,7 @@ class WeightedSAGEConv(nn.Module): ...@@ -240,6 +251,7 @@ class WeightedSAGEConv(nn.Module):
out_feat : int out_feat : int
Output feature size. Output feature size.
""" """
def __init__(self, in_feat, out_feat): def __init__(self, in_feat, out_feat):
super(WeightedSAGEConv, self).__init__() super(WeightedSAGEConv, self).__init__()
# A linear submodule for projecting the input and neighbor feature to the output. # A linear submodule for projecting the input and neighbor feature to the output.
...@@ -258,10 +270,13 @@ class WeightedSAGEConv(nn.Module): ...@@ -258,10 +270,13 @@ class WeightedSAGEConv(nn.Module):
The edge weight. The edge weight.
""" """
with g.local_scope(): with g.local_scope():
g.ndata['h'] = h g.ndata["h"] = h
g.edata['w'] = w g.edata["w"] = w
g.update_all(message_func=fn.u_mul_e('h', 'w', 'm'), reduce_func=fn.mean('m', 'h_N')) g.update_all(
h_N = g.ndata['h_N'] message_func=fn.u_mul_e("h", "w", "m"),
reduce_func=fn.mean("m", "h_N"),
)
h_N = g.ndata["h_N"]
h_total = torch.cat([h, h_N], dim=1) h_total = torch.cat([h, h_N], dim=1)
return self.linear(h_total) return self.linear(h_total)
...@@ -272,6 +287,7 @@ class WeightedSAGEConv(nn.Module): ...@@ -272,6 +287,7 @@ class WeightedSAGEConv(nn.Module):
# the model. You can replace it with your own edge weights. # the model. You can replace it with your own edge weights.
# #
class Model(nn.Module): class Model(nn.Module):
def __init__(self, in_feats, h_feats, num_classes): def __init__(self, in_feats, h_feats, num_classes):
super(Model, self).__init__() super(Model, self).__init__()
...@@ -284,7 +300,8 @@ class Model(nn.Module): ...@@ -284,7 +300,8 @@ class Model(nn.Module):
h = self.conv2(g, h, torch.ones(g.num_edges(), 1).to(g.device)) h = self.conv2(g, h, torch.ones(g.num_edges(), 1).to(g.device))
return h return h
model = Model(g.ndata['feat'].shape[1], 16, dataset.num_classes)
model = Model(g.ndata["feat"].shape[1], 16, dataset.num_classes)
train(g, model) train(g, model)
...@@ -297,8 +314,9 @@ train(g, model) ...@@ -297,8 +314,9 @@ train(g, model)
# equivalent to ``fn.u_mul_e('h', 'w', 'm')``. # equivalent to ``fn.u_mul_e('h', 'w', 'm')``.
# #
def u_mul_e_udf(edges): def u_mul_e_udf(edges):
return {'m' : edges.src['h'] * edges.data['w']} return {"m": edges.src["h"] * edges.data["w"]}
###################################################################### ######################################################################
...@@ -314,8 +332,9 @@ def u_mul_e_udf(edges): ...@@ -314,8 +332,9 @@ def u_mul_e_udf(edges):
# the incoming messages: # the incoming messages:
# #
def mean_udf(nodes): def mean_udf(nodes):
return {'h_N': nodes.mailbox['m'].mean(1)} return {"h_N": nodes.mailbox["m"].mean(1)}
###################################################################### ######################################################################
......
tutorials/blitz/4_link_predict.py
View file @ 2b983869
...@@ -17,14 +17,16 @@ By the end of this tutorial you will be able to ...@@ -17,14 +17,16 @@ By the end of this tutorial you will be able to
""" """
import dgl
import torch
import torch.nn as nn
import torch.nn.functional as F
import itertools import itertools
import numpy as np import numpy as np
import scipy.sparse as sp import scipy.sparse as sp
import torch
import torch.nn as nn
import torch.nn.functional as F
import dgl
import dgl.data
###################################################################### ######################################################################
# Overview of Link Prediction with GNN # Overview of Link Prediction with GNN
...@@ -67,7 +69,6 @@ import scipy.sparse as sp ...@@ -67,7 +69,6 @@ import scipy.sparse as sp
# first loads the Cora dataset. # first loads the Cora dataset.
# #
import dgl.data
dataset = dgl.data.CoraGraphDataset() dataset = dgl.data.CoraGraphDataset()
g = dataset[0] g = dataset[0]
...@@ -98,8 +99,14 @@ adj_neg = 1 - adj.todense() - np.eye(g.number_of_nodes()) ...@@ -98,8 +99,14 @@ adj_neg = 1 - adj.todense() - np.eye(g.number_of_nodes())
neg_u, neg_v = np.where(adj_neg != 0) neg_u, neg_v = np.where(adj_neg != 0)
neg_eids = np.random.choice(len(neg_u), g.number_of_edges()) neg_eids = np.random.choice(len(neg_u), g.number_of_edges())
test_neg_u, test_neg_v = neg_u[neg_eids[:test_size]], neg_v[neg_eids[:test_size]] test_neg_u, test_neg_v = (
train_neg_u, train_neg_v = neg_u[neg_eids[test_size:]], neg_v[neg_eids[test_size:]] neg_u[neg_eids[:test_size]],
neg_v[neg_eids[:test_size]],
)
train_neg_u, train_neg_v = (
neg_u[neg_eids[test_size:]],
neg_v[neg_eids[test_size:]],
)
###################################################################### ######################################################################
...@@ -129,13 +136,14 @@ train_g = dgl.remove_edges(g, eids[:test_size]) ...@@ -129,13 +136,14 @@ train_g = dgl.remove_edges(g, eids[:test_size])
from dgl.nn import SAGEConv from dgl.nn import SAGEConv
# ----------- 2. create model -------------- # # ----------- 2. create model -------------- #
# build a two-layer GraphSAGE model # build a two-layer GraphSAGE model
class GraphSAGE(nn.Module): class GraphSAGE(nn.Module):
def __init__(self, in_feats, h_feats): def __init__(self, in_feats, h_feats):
super(GraphSAGE, self).__init__() super(GraphSAGE, self).__init__()
self.conv1 = SAGEConv(in_feats, h_feats, 'mean') self.conv1 = SAGEConv(in_feats, h_feats, "mean")
self.conv2 = SAGEConv(h_feats, h_feats, 'mean') self.conv2 = SAGEConv(h_feats, h_feats, "mean")
def forward(self, g, in_feat): def forward(self, g, in_feat):
h = self.conv1(g, in_feat) h = self.conv1(g, in_feat)
...@@ -180,8 +188,12 @@ class GraphSAGE(nn.Module): ...@@ -180,8 +188,12 @@ class GraphSAGE(nn.Module):
# for the training set and the test set respectively. # for the training set and the test set respectively.
# #
train_pos_g = dgl.graph((train_pos_u, train_pos_v), num_nodes=g.number_of_nodes()) train_pos_g = dgl.graph(
train_neg_g = dgl.graph((train_neg_u, train_neg_v), num_nodes=g.number_of_nodes()) (train_pos_u, train_pos_v), num_nodes=g.number_of_nodes()
)
train_neg_g = dgl.graph(
(train_neg_u, train_neg_v), num_nodes=g.number_of_nodes()
)
test_pos_g = dgl.graph((test_pos_u, test_pos_v), num_nodes=g.number_of_nodes()) test_pos_g = dgl.graph((test_pos_u, test_pos_v), num_nodes=g.number_of_nodes())
test_neg_g = dgl.graph((test_neg_u, test_neg_v), num_nodes=g.number_of_nodes()) test_neg_g = dgl.graph((test_neg_u, test_neg_v), num_nodes=g.number_of_nodes())
...@@ -201,15 +213,16 @@ test_neg_g = dgl.graph((test_neg_u, test_neg_v), num_nodes=g.number_of_nodes()) ...@@ -201,15 +213,16 @@ test_neg_g = dgl.graph((test_neg_u, test_neg_v), num_nodes=g.number_of_nodes())
import dgl.function as fn import dgl.function as fn
class DotPredictor(nn.Module): class DotPredictor(nn.Module):
def forward(self, g, h): def forward(self, g, h):
with g.local_scope(): with g.local_scope():
g.ndata['h'] = h g.ndata["h"] = h
# Compute a new edge feature named 'score' by a dot-product between the # Compute a new edge feature named 'score' by a dot-product between the
# source node feature 'h' and destination node feature 'h'. # source node feature 'h' and destination node feature 'h'.
g.apply_edges(fn.u_dot_v('h', 'h', 'score')) g.apply_edges(fn.u_dot_v("h", "h", "score"))
# u_dot_v returns a 1-element vector for each edge so you need to squeeze it. # u_dot_v returns a 1-element vector for each edge so you need to squeeze it.
return g.edata['score'][:, 0] return g.edata["score"][:, 0]
###################################################################### ######################################################################
...@@ -218,6 +231,7 @@ class DotPredictor(nn.Module): ...@@ -218,6 +231,7 @@ class DotPredictor(nn.Module):
# by concatenating the incident nodes’ features and passing it to an MLP. # by concatenating the incident nodes’ features and passing it to an MLP.
# #
class MLPPredictor(nn.Module): class MLPPredictor(nn.Module):
def __init__(self, h_feats): def __init__(self, h_feats):
super().__init__() super().__init__()
...@@ -241,14 +255,14 @@ class MLPPredictor(nn.Module): ...@@ -241,14 +255,14 @@ class MLPPredictor(nn.Module):
dict dict
A dictionary of new edge features. A dictionary of new edge features.
""" """
h = torch.cat([edges.src['h'], edges.dst['h']], 1) h = torch.cat([edges.src["h"], edges.dst["h"]], 1)
return {'score': self.W2(F.relu(self.W1(h))).squeeze(1)} return {"score": self.W2(F.relu(self.W1(h))).squeeze(1)}
def forward(self, g, h): def forward(self, g, h):
with g.local_scope(): with g.local_scope():
g.ndata['h'] = h g.ndata["h"] = h
g.apply_edges(self.apply_edges) g.apply_edges(self.apply_edges)
return g.edata['score'] return g.edata["score"]
###################################################################### ######################################################################
...@@ -284,20 +298,25 @@ class MLPPredictor(nn.Module): ...@@ -284,20 +298,25 @@ class MLPPredictor(nn.Module):
# The evaluation metric in this tutorial is AUC. # The evaluation metric in this tutorial is AUC.
# #
model = GraphSAGE(train_g.ndata['feat'].shape[1], 16) model = GraphSAGE(train_g.ndata["feat"].shape[1], 16)
# You can replace DotPredictor with MLPPredictor. # You can replace DotPredictor with MLPPredictor.
#pred = MLPPredictor(16) # pred = MLPPredictor(16)
pred = DotPredictor() pred = DotPredictor()
def compute_loss(pos_score, neg_score): def compute_loss(pos_score, neg_score):
scores = torch.cat([pos_score, neg_score]) scores = torch.cat([pos_score, neg_score])
labels = torch.cat([torch.ones(pos_score.shape[0]), torch.zeros(neg_score.shape[0])]) labels = torch.cat(
[torch.ones(pos_score.shape[0]), torch.zeros(neg_score.shape[0])]
)
return F.binary_cross_entropy_with_logits(scores, labels) return F.binary_cross_entropy_with_logits(scores, labels)
def compute_auc(pos_score, neg_score): def compute_auc(pos_score, neg_score):
scores = torch.cat([pos_score, neg_score]).numpy() scores = torch.cat([pos_score, neg_score]).numpy()
labels = torch.cat( labels = torch.cat(
[torch.ones(pos_score.shape[0]), torch.zeros(neg_score.shape[0])]).numpy() [torch.ones(pos_score.shape[0]), torch.zeros(neg_score.shape[0])]
).numpy()
return roc_auc_score(labels, scores) return roc_auc_score(labels, scores)
...@@ -313,13 +332,15 @@ def compute_auc(pos_score, neg_score): ...@@ -313,13 +332,15 @@ def compute_auc(pos_score, neg_score):
# ----------- 3. set up loss and optimizer -------------- # # ----------- 3. set up loss and optimizer -------------- #
# in this case, loss will in training loop # in this case, loss will in training loop
optimizer = torch.optim.Adam(itertools.chain(model.parameters(), pred.parameters()), lr=0.01) optimizer = torch.optim.Adam(
itertools.chain(model.parameters(), pred.parameters()), lr=0.01
)
# ----------- 4. training -------------------------------- # # ----------- 4. training -------------------------------- #
all_logits = [] all_logits = []
for e in range(100): for e in range(100):
# forward # forward
h = model(train_g, train_g.ndata['feat']) h = model(train_g, train_g.ndata["feat"])
pos_score = pred(train_pos_g, h) pos_score = pred(train_pos_g, h)
neg_score = pred(train_neg_g, h) neg_score = pred(train_neg_g, h)
loss = compute_loss(pos_score, neg_score) loss = compute_loss(pos_score, neg_score)
...@@ -330,14 +351,15 @@ for e in range(100): ...@@ -330,14 +351,15 @@ for e in range(100):
optimizer.step() optimizer.step()
if e % 5 == 0: if e % 5 == 0:
print('In epoch {}, loss: {}'.format(e, loss)) print("In epoch {}, loss: {}".format(e, loss))
# ----------- 5. check results ------------------------ # # ----------- 5. check results ------------------------ #
from sklearn.metrics import roc_auc_score from sklearn.metrics import roc_auc_score
with torch.no_grad(): with torch.no_grad():
pos_score = pred(test_pos_g, h) pos_score = pred(test_pos_g, h)
neg_score = pred(test_neg_g, h) neg_score = pred(test_neg_g, h)
print('AUC', compute_auc(pos_score, neg_score)) print("AUC", compute_auc(pos_score, neg_score))
# Thumbnail credits: Link Prediction with Neo4j, Mark Needham # Thumbnail credits: Link Prediction with Neo4j, Mark Needham
......
tutorials/blitz/5_graph_classification.py
View file @ 2b983869
...@@ -13,11 +13,12 @@ By the end of this tutorial, you will be able to ...@@ -13,11 +13,12 @@ By the end of this tutorial, you will be able to
(Time estimate: 18 minutes) (Time estimate: 18 minutes)
""" """
import dgl
import torch import torch
import torch.nn as nn import torch.nn as nn
import torch.nn.functional as F import torch.nn.functional as F
import dgl
import dgl.data
###################################################################### ######################################################################
# Overview of Graph Classification with GNN # Overview of Graph Classification with GNN
...@@ -35,10 +36,9 @@ import torch.nn.functional as F ...@@ -35,10 +36,9 @@ import torch.nn.functional as F
# ------------ # ------------
# #
import dgl.data
# Generate a synthetic dataset with 10000 graphs, ranging from 10 to 500 nodes. # Generate a synthetic dataset with 10000 graphs, ranging from 10 to 500 nodes.
dataset = dgl.data.GINDataset('PROTEINS', self_loop=True) dataset = dgl.data.GINDataset("PROTEINS", self_loop=True)
###################################################################### ######################################################################
...@@ -48,8 +48,8 @@ dataset = dgl.data.GINDataset('PROTEINS', self_loop=True) ...@@ -48,8 +48,8 @@ dataset = dgl.data.GINDataset('PROTEINS', self_loop=True)
# and ``gclasses`` attributes. # and ``gclasses`` attributes.
# #
print('Node feature dimensionality:', dataset.dim_nfeats) print("Node feature dimensionality:", dataset.dim_nfeats)
print('Number of graph categories:', dataset.gclasses) print("Number of graph categories:", dataset.gclasses)
###################################################################### ######################################################################
...@@ -70,9 +70,10 @@ print('Number of graph categories:', dataset.gclasses) ...@@ -70,9 +70,10 @@ print('Number of graph categories:', dataset.gclasses)
# to sample from only a subset of the dataset. # to sample from only a subset of the dataset.
# #
from dgl.dataloading import GraphDataLoader
from torch.utils.data.sampler import SubsetRandomSampler from torch.utils.data.sampler import SubsetRandomSampler
from dgl.dataloading import GraphDataLoader
num_examples = len(dataset) num_examples = len(dataset)
num_train = int(num_examples * 0.8) num_train = int(num_examples * 0.8)
...@@ -80,9 +81,11 @@ train_sampler = SubsetRandomSampler(torch.arange(num_train)) ...@@ -80,9 +81,11 @@ train_sampler = SubsetRandomSampler(torch.arange(num_train))
test_sampler = SubsetRandomSampler(torch.arange(num_train, num_examples)) test_sampler = SubsetRandomSampler(torch.arange(num_train, num_examples))
train_dataloader = GraphDataLoader( train_dataloader = GraphDataLoader(
dataset, sampler=train_sampler, batch_size=5, drop_last=False) dataset, sampler=train_sampler, batch_size=5, drop_last=False
)
test_dataloader = GraphDataLoader( test_dataloader = GraphDataLoader(
dataset, sampler=test_sampler, batch_size=5, drop_last=False) dataset, sampler=test_sampler, batch_size=5, drop_last=False
)
###################################################################### ######################################################################
...@@ -117,12 +120,18 @@ print(batch) ...@@ -117,12 +120,18 @@ print(batch)
# #
batched_graph, labels = batch batched_graph, labels = batch
print('Number of nodes for each graph element in the batch:', batched_graph.batch_num_nodes()) print(
print('Number of edges for each graph element in the batch:', batched_graph.batch_num_edges()) "Number of nodes for each graph element in the batch:",
batched_graph.batch_num_nodes(),
)
print(
"Number of edges for each graph element in the batch:",
batched_graph.batch_num_edges(),
)
# Recover the original graph elements from the minibatch # Recover the original graph elements from the minibatch
graphs = dgl.unbatch(batched_graph) graphs = dgl.unbatch(batched_graph)
print('The original graphs in the minibatch:') print("The original graphs in the minibatch:")
print(graphs) print(graphs)
...@@ -152,6 +161,7 @@ print(graphs) ...@@ -152,6 +161,7 @@ print(graphs)
from dgl.nn import GraphConv from dgl.nn import GraphConv
class GCN(nn.Module): class GCN(nn.Module):
def __init__(self, in_feats, h_feats, num_classes): def __init__(self, in_feats, h_feats, num_classes):
super(GCN, self).__init__() super(GCN, self).__init__()
...@@ -162,9 +172,8 @@ class GCN(nn.Module): ...@@ -162,9 +172,8 @@ class GCN(nn.Module):
h = self.conv1(g, in_feat) h = self.conv1(g, in_feat)
h = F.relu(h) h = F.relu(h)
h = self.conv2(g, h) h = self.conv2(g, h)
g.ndata['h'] = h g.ndata["h"] = h
return dgl.mean_nodes(g, 'h') return dgl.mean_nodes(g, "h")
###################################################################### ######################################################################
...@@ -182,7 +191,7 @@ optimizer = torch.optim.Adam(model.parameters(), lr=0.01) ...@@ -182,7 +191,7 @@ optimizer = torch.optim.Adam(model.parameters(), lr=0.01)
for epoch in range(20): for epoch in range(20):
for batched_graph, labels in train_dataloader: for batched_graph, labels in train_dataloader:
pred = model(batched_graph, batched_graph.ndata['attr'].float()) pred = model(batched_graph, batched_graph.ndata["attr"].float())
loss = F.cross_entropy(pred, labels) loss = F.cross_entropy(pred, labels)
optimizer.zero_grad() optimizer.zero_grad()
loss.backward() loss.backward()
...@@ -191,11 +200,11 @@ for epoch in range(20): ...@@ -191,11 +200,11 @@ for epoch in range(20):
num_correct = 0 num_correct = 0
num_tests = 0 num_tests = 0
for batched_graph, labels in test_dataloader: for batched_graph, labels in test_dataloader:
pred = model(batched_graph, batched_graph.ndata['attr'].float()) pred = model(batched_graph, batched_graph.ndata["attr"].float())
num_correct += (pred.argmax(1) == labels).sum().item() num_correct += (pred.argmax(1) == labels).sum().item()
num_tests += len(labels) num_tests += len(labels)
print('Test accuracy:', num_correct / num_tests) print("Test accuracy:", num_correct / num_tests)
###################################################################### ######################################################################
......
tutorials/blitz/6_load_data.py
View file @ 2b983869
...@@ -49,16 +49,21 @@ By the end of this tutorial, you will be able to ...@@ -49,16 +49,21 @@ By the end of this tutorial, you will be able to
# #
import urllib.request import urllib.request
import pandas as pd import pandas as pd
urllib.request.urlretrieve( urllib.request.urlretrieve(
'https://data.dgl.ai/tutorial/dataset/members.csv', './members.csv') "https://data.dgl.ai/tutorial/dataset/members.csv", "./members.csv"
)
urllib.request.urlretrieve( urllib.request.urlretrieve(
'https://data.dgl.ai/tutorial/dataset/interactions.csv', './interactions.csv') "https://data.dgl.ai/tutorial/dataset/interactions.csv",
"./interactions.csv",
)
members = pd.read_csv('./members.csv') members = pd.read_csv("./members.csv")
members.head() members.head()
interactions = pd.read_csv('./interactions.csv') interactions = pd.read_csv("./interactions.csv")
interactions.head() interactions.head()
...@@ -82,28 +87,35 @@ interactions.head() ...@@ -82,28 +87,35 @@ interactions.head()
# takes the values as-is for simplicity. # takes the values as-is for simplicity.
# #
import os
import torch
import dgl import dgl
from dgl.data import DGLDataset from dgl.data import DGLDataset
import torch
import os
class KarateClubDataset(DGLDataset): class KarateClubDataset(DGLDataset):
def __init__(self): def __init__(self):
super().__init__(name='karate_club') super().__init__(name="karate_club")
def process(self): def process(self):
nodes_data = pd.read_csv('./members.csv') nodes_data = pd.read_csv("./members.csv")
edges_data = pd.read_csv('./interactions.csv') edges_data = pd.read_csv("./interactions.csv")
node_features = torch.from_numpy(nodes_data['Age'].to_numpy()) node_features = torch.from_numpy(nodes_data["Age"].to_numpy())
node_labels = torch.from_numpy(nodes_data['Club'].astype('category').cat.codes.to_numpy()) node_labels = torch.from_numpy(
edge_features = torch.from_numpy(edges_data['Weight'].to_numpy()) nodes_data["Club"].astype("category").cat.codes.to_numpy()
edges_src = torch.from_numpy(edges_data['Src'].to_numpy()) )
edges_dst = torch.from_numpy(edges_data['Dst'].to_numpy()) edge_features = torch.from_numpy(edges_data["Weight"].to_numpy())
edges_src = torch.from_numpy(edges_data["Src"].to_numpy())
self.graph = dgl.graph((edges_src, edges_dst), num_nodes=nodes_data.shape[0]) edges_dst = torch.from_numpy(edges_data["Dst"].to_numpy())
self.graph.ndata['feat'] = node_features
self.graph.ndata['label'] = node_labels self.graph = dgl.graph(
self.graph.edata['weight'] = edge_features (edges_src, edges_dst), num_nodes=nodes_data.shape[0]
)
self.graph.ndata["feat"] = node_features
self.graph.ndata["label"] = node_labels
self.graph.edata["weight"] = edge_features
# If your dataset is a node classification dataset, you will need to assign # If your dataset is a node classification dataset, you will need to assign
# masks indicating whether a node belongs to training, validation, and test set. # masks indicating whether a node belongs to training, validation, and test set.
...@@ -114,11 +126,11 @@ class KarateClubDataset(DGLDataset): ...@@ -114,11 +126,11 @@ class KarateClubDataset(DGLDataset):
val_mask = torch.zeros(n_nodes, dtype=torch.bool) val_mask = torch.zeros(n_nodes, dtype=torch.bool)
test_mask = torch.zeros(n_nodes, dtype=torch.bool) test_mask = torch.zeros(n_nodes, dtype=torch.bool)
train_mask[:n_train] = True train_mask[:n_train] = True
val_mask[n_train:n_train + n_val] = True val_mask[n_train : n_train + n_val] = True
test_mask[n_train + n_val:] = True test_mask[n_train + n_val :] = True
self.graph.ndata['train_mask'] = train_mask self.graph.ndata["train_mask"] = train_mask
self.graph.ndata['val_mask'] = val_mask self.graph.ndata["val_mask"] = val_mask
self.graph.ndata['test_mask'] = test_mask self.graph.ndata["test_mask"] = test_mask
def __getitem__(self, i): def __getitem__(self, i):
return self.graph return self.graph
...@@ -126,6 +138,7 @@ class KarateClubDataset(DGLDataset): ...@@ -126,6 +138,7 @@ class KarateClubDataset(DGLDataset):
def __len__(self): def __len__(self):
return 1 return 1
dataset = KarateClubDataset() dataset = KarateClubDataset()
graph = dataset[0] graph = dataset[0]
...@@ -163,23 +176,27 @@ print(graph) ...@@ -163,23 +176,27 @@ print(graph)
# #
urllib.request.urlretrieve( urllib.request.urlretrieve(
'https://data.dgl.ai/tutorial/dataset/graph_edges.csv', './graph_edges.csv') "https://data.dgl.ai/tutorial/dataset/graph_edges.csv", "./graph_edges.csv"
)
urllib.request.urlretrieve( urllib.request.urlretrieve(
'https://data.dgl.ai/tutorial/dataset/graph_properties.csv', './graph_properties.csv') "https://data.dgl.ai/tutorial/dataset/graph_properties.csv",
edges = pd.read_csv('./graph_edges.csv') "./graph_properties.csv",
properties = pd.read_csv('./graph_properties.csv') )
edges = pd.read_csv("./graph_edges.csv")
properties = pd.read_csv("./graph_properties.csv")
edges.head() edges.head()
properties.head() properties.head()
class SyntheticDataset(DGLDataset): class SyntheticDataset(DGLDataset):
def __init__(self): def __init__(self):
super().__init__(name='synthetic') super().__init__(name="synthetic")
def process(self): def process(self):
edges = pd.read_csv('./graph_edges.csv') edges = pd.read_csv("./graph_edges.csv")
properties = pd.read_csv('./graph_properties.csv') properties = pd.read_csv("./graph_properties.csv")
self.graphs = [] self.graphs = []
self.labels = [] self.labels = []
...@@ -189,18 +206,18 @@ class SyntheticDataset(DGLDataset): ...@@ -189,18 +206,18 @@ class SyntheticDataset(DGLDataset):
label_dict = {} label_dict = {}
num_nodes_dict = {} num_nodes_dict = {}
for _, row in properties.iterrows(): for _, row in properties.iterrows():
label_dict[row['graph_id']] = row['label'] label_dict[row["graph_id"]] = row["label"]
num_nodes_dict[row['graph_id']] = row['num_nodes'] num_nodes_dict[row["graph_id"]] = row["num_nodes"]
# For the edges, first group the table by graph IDs. # For the edges, first group the table by graph IDs.
edges_group = edges.groupby('graph_id') edges_group = edges.groupby("graph_id")
# For each graph ID... # For each graph ID...
for graph_id in edges_group.groups: for graph_id in edges_group.groups:
# Find the edges as well as the number of nodes and its label. # Find the edges as well as the number of nodes and its label.
edges_of_id = edges_group.get_group(graph_id) edges_of_id = edges_group.get_group(graph_id)
src = edges_of_id['src'].to_numpy() src = edges_of_id["src"].to_numpy()
dst = edges_of_id['dst'].to_numpy() dst = edges_of_id["dst"].to_numpy()
num_nodes = num_nodes_dict[graph_id] num_nodes = num_nodes_dict[graph_id]
label = label_dict[graph_id] label = label_dict[graph_id]
...@@ -218,6 +235,7 @@ class SyntheticDataset(DGLDataset): ...@@ -218,6 +235,7 @@ class SyntheticDataset(DGLDataset):
def __len__(self): def __len__(self):
return len(self.graphs) return len(self.graphs)
dataset = SyntheticDataset() dataset = SyntheticDataset()
graph, label = dataset[0] graph, label = dataset[0]
print(graph, label) print(graph, label)
......
tutorials/models/1_gnn/1_gcn.py
View file @ 2b983869
...@@ -45,15 +45,16 @@ message passing APIs. ...@@ -45,15 +45,16 @@ message passing APIs.
# aggregation on a node :math:`u` only involves summing over the neighbors' # aggregation on a node :math:`u` only involves summing over the neighbors'
# representations :math:`h_v`, we can simply use builtin functions: # representations :math:`h_v`, we can simply use builtin functions:
import dgl
import dgl.function as fn
import torch as th import torch as th
import torch.nn as nn import torch.nn as nn
import torch.nn.functional as F import torch.nn.functional as F
import dgl
import dgl.function as fn
from dgl import DGLGraph from dgl import DGLGraph
gcn_msg = fn.copy_u(u='h', out='m') gcn_msg = fn.copy_u(u="h", out="m")
gcn_reduce = fn.sum(msg='m', out='h') gcn_reduce = fn.sum(msg="m", out="h")
############################################################################### ###############################################################################
# We then proceed to define the GCNLayer module. A GCNLayer essentially performs # We then proceed to define the GCNLayer module. A GCNLayer essentially performs
...@@ -65,6 +66,7 @@ gcn_reduce = fn.sum(msg='m', out='h') ...@@ -65,6 +66,7 @@ gcn_reduce = fn.sum(msg='m', out='h')
# efficient :class:`builtin GCN layer module <dgl.nn.pytorch.conv.GraphConv>`. # efficient :class:`builtin GCN layer module <dgl.nn.pytorch.conv.GraphConv>`.
# #
class GCNLayer(nn.Module): class GCNLayer(nn.Module):
def __init__(self, in_feats, out_feats): def __init__(self, in_feats, out_feats):
super(GCNLayer, self).__init__() super(GCNLayer, self).__init__()
...@@ -75,11 +77,12 @@ class GCNLayer(nn.Module): ...@@ -75,11 +77,12 @@ class GCNLayer(nn.Module):
# (such as the `'h'` ndata below) are automatically popped out # (such as the `'h'` ndata below) are automatically popped out
# when the scope exits. # when the scope exits.
with g.local_scope(): with g.local_scope():
g.ndata['h'] = feature g.ndata["h"] = feature
g.update_all(gcn_msg, gcn_reduce) g.update_all(gcn_msg, gcn_reduce)
h = g.ndata['h'] h = g.ndata["h"]
return self.linear(h) return self.linear(h)
############################################################################### ###############################################################################
# The forward function is essentially the same as any other commonly seen NNs # The forward function is essentially the same as any other commonly seen NNs
# model in PyTorch. We can initialize GCN like any ``nn.Module``. For example, # model in PyTorch. We can initialize GCN like any ``nn.Module``. For example,
...@@ -88,6 +91,7 @@ class GCNLayer(nn.Module): ...@@ -88,6 +91,7 @@ class GCNLayer(nn.Module):
# 1433 and the number of classes is 7). The last GCN layer computes node embeddings, # 1433 and the number of classes is 7). The last GCN layer computes node embeddings,
# so the last layer in general does not apply activation. # so the last layer in general does not apply activation.
class Net(nn.Module): class Net(nn.Module):
def __init__(self): def __init__(self):
super(Net, self).__init__() super(Net, self).__init__()
...@@ -98,6 +102,8 @@ class Net(nn.Module): ...@@ -98,6 +102,8 @@ class Net(nn.Module):
x = F.relu(self.layer1(g, features)) x = F.relu(self.layer1(g, features))
x = self.layer2(g, x) x = self.layer2(g, x)
return x return x
net = Net() net = Net()
print(net) print(net)
...@@ -105,19 +111,23 @@ print(net) ...@@ -105,19 +111,23 @@ print(net)
# We load the cora dataset using DGL's built-in data module. # We load the cora dataset using DGL's built-in data module.
from dgl.data import CoraGraphDataset from dgl.data import CoraGraphDataset
def load_cora_data(): def load_cora_data():
dataset = CoraGraphDataset() dataset = CoraGraphDataset()
g = dataset[0] g = dataset[0]
features = g.ndata['feat'] features = g.ndata["feat"]
labels = g.ndata['label'] labels = g.ndata["label"]
train_mask = g.ndata['train_mask'] train_mask = g.ndata["train_mask"]
test_mask = g.ndata['test_mask'] test_mask = g.ndata["test_mask"]
return g, features, labels, train_mask, test_mask return g, features, labels, train_mask, test_mask
############################################################################### ###############################################################################
# When a model is trained, we can use the following method to evaluate # When a model is trained, we can use the following method to evaluate
# the performance of the model on the test dataset: # the performance of the model on the test dataset:
def evaluate(model, g, features, labels, mask): def evaluate(model, g, features, labels, mask):
model.eval() model.eval()
with th.no_grad(): with th.no_grad():
...@@ -128,18 +138,21 @@ def evaluate(model, g, features, labels, mask): ...@@ -128,18 +138,21 @@ def evaluate(model, g, features, labels, mask):
correct = th.sum(indices == labels) correct = th.sum(indices == labels)
return correct.item() * 1.0 / len(labels) return correct.item() * 1.0 / len(labels)
############################################################################### ###############################################################################
# We then train the network as follows: # We then train the network as follows:
import time import time
import numpy as np import numpy as np
g, features, labels, train_mask, test_mask = load_cora_data() g, features, labels, train_mask, test_mask = load_cora_data()
# Add edges between each node and itself to preserve old node representations # Add edges between each node and itself to preserve old node representations
g.add_edges(g.nodes(), g.nodes()) g.add_edges(g.nodes(), g.nodes())
optimizer = th.optim.Adam(net.parameters(), lr=1e-2) optimizer = th.optim.Adam(net.parameters(), lr=1e-2)
dur = [] dur = []
for epoch in range(50): for epoch in range(50):
if epoch >=3: if epoch >= 3:
t0 = time.time() t0 = time.time()
net.train() net.train()
...@@ -151,12 +164,15 @@ for epoch in range(50): ...@@ -151,12 +164,15 @@ for epoch in range(50):
loss.backward() loss.backward()
optimizer.step() optimizer.step()
if epoch >=3: if epoch >= 3:
dur.append(time.time() - t0) dur.append(time.time() - t0)
acc = evaluate(net, g, features, labels, test_mask) acc = evaluate(net, g, features, labels, test_mask)
print("Epoch {:05d} | Loss {:.4f} | Test Acc {:.4f} | Time(s) {:.4f}".format( print(
epoch, loss.item(), acc, np.mean(dur))) "Epoch {:05d} | Loss {:.4f} | Test Acc {:.4f} | Time(s) {:.4f}".format(
epoch, loss.item(), acc, np.mean(dur)
)
)
############################################################################### ###############################################################################
# .. _math: # .. _math:
......
tutorials/models/4_old_wines/2_capsule.py
View file @ 2b983869
...@@ -67,11 +67,12 @@ offers a different perspective. The tutorial describes how to implement a Capsul ...@@ -67,11 +67,12 @@ offers a different perspective. The tutorial describes how to implement a Capsul
# #
# Here's how we set up the graph and initialize node and edge features. # Here's how we set up the graph and initialize node and edge features.
import torch.nn as nn import matplotlib.pyplot as plt
import numpy as np
import torch as th import torch as th
import torch.nn as nn
import torch.nn.functional as F import torch.nn.functional as F
import numpy as np
import matplotlib.pyplot as plt
import dgl import dgl
...@@ -80,8 +81,8 @@ def init_graph(in_nodes, out_nodes, f_size): ...@@ -80,8 +81,8 @@ def init_graph(in_nodes, out_nodes, f_size):
v = np.tile(np.arange(in_nodes, in_nodes + out_nodes), in_nodes) v = np.tile(np.arange(in_nodes, in_nodes + out_nodes), in_nodes)
g = dgl.DGLGraph((u, v)) g = dgl.DGLGraph((u, v))
# init states # init states
g.ndata['v'] = th.zeros(in_nodes + out_nodes, f_size) g.ndata["v"] = th.zeros(in_nodes + out_nodes, f_size)
g.edata['b'] = th.zeros(in_nodes * out_nodes, 1) g.edata["b"] = th.zeros(in_nodes * out_nodes, 1)
return g return g
...@@ -116,6 +117,7 @@ def init_graph(in_nodes, out_nodes, f_size): ...@@ -116,6 +117,7 @@ def init_graph(in_nodes, out_nodes, f_size):
import dgl.function as fn import dgl.function as fn
class DGLRoutingLayer(nn.Module): class DGLRoutingLayer(nn.Module):
def __init__(self, in_nodes, out_nodes, f_size): def __init__(self, in_nodes, out_nodes, f_size):
super(DGLRoutingLayer, self).__init__() super(DGLRoutingLayer, self).__init__()
...@@ -126,27 +128,33 @@ class DGLRoutingLayer(nn.Module): ...@@ -126,27 +128,33 @@ class DGLRoutingLayer(nn.Module):
self.out_indx = list(range(in_nodes, in_nodes + out_nodes)) self.out_indx = list(range(in_nodes, in_nodes + out_nodes))
def forward(self, u_hat, routing_num=1): def forward(self, u_hat, routing_num=1):
self.g.edata['u_hat'] = u_hat self.g.edata["u_hat"] = u_hat
for r in range(routing_num): for r in range(routing_num):
# step 1 (line 4): normalize over out edges # step 1 (line 4): normalize over out edges
edges_b = self.g.edata['b'].view(self.in_nodes, self.out_nodes) edges_b = self.g.edata["b"].view(self.in_nodes, self.out_nodes)
self.g.edata['c'] = F.softmax(edges_b, dim=1).view(-1, 1) self.g.edata["c"] = F.softmax(edges_b, dim=1).view(-1, 1)
self.g.edata['c u_hat'] = self.g.edata['c'] * self.g.edata['u_hat'] self.g.edata["c u_hat"] = self.g.edata["c"] * self.g.edata["u_hat"]
# Execute step 1 & 2 # Execute step 1 & 2
self.g.update_all(fn.copy_e('c u_hat', 'm'), fn.sum('m', 's')) self.g.update_all(fn.copy_e("c u_hat", "m"), fn.sum("m", "s"))
# step 3 (line 6) # step 3 (line 6)
self.g.nodes[self.out_indx].data['v'] = self.squash(self.g.nodes[self.out_indx].data['s'], dim=1) self.g.nodes[self.out_indx].data["v"] = self.squash(
self.g.nodes[self.out_indx].data["s"], dim=1
)
# step 4 (line 7) # step 4 (line 7)
v = th.cat([self.g.nodes[self.out_indx].data['v']] * self.in_nodes, dim=0) v = th.cat(
self.g.edata['b'] = self.g.edata['b'] + (self.g.edata['u_hat'] * v).sum(dim=1, keepdim=True) [self.g.nodes[self.out_indx].data["v"]] * self.in_nodes, dim=0
)
self.g.edata["b"] = self.g.edata["b"] + (
self.g.edata["u_hat"] * v
).sum(dim=1, keepdim=True)
@staticmethod @staticmethod
def squash(s, dim=1): def squash(s, dim=1):
sq = th.sum(s ** 2, dim=dim, keepdim=True) sq = th.sum(s**2, dim=dim, keepdim=True)
s_norm = th.sqrt(sq) s_norm = th.sqrt(sq)
s = (sq / (1.0 + sq)) * (s / s_norm) s = (sq / (1.0 + sq)) * (s / s_norm)
return s return s
...@@ -172,14 +180,14 @@ dist_list = [] ...@@ -172,14 +180,14 @@ dist_list = []
for i in range(10): for i in range(10):
routing(u_hat) routing(u_hat)
dist_matrix = routing.g.edata['c'].view(in_nodes, out_nodes) dist_matrix = routing.g.edata["c"].view(in_nodes, out_nodes)
entropy = (-dist_matrix * th.log(dist_matrix)).sum(dim=1) entropy = (-dist_matrix * th.log(dist_matrix)).sum(dim=1)
entropy_list.append(entropy.data.numpy()) entropy_list.append(entropy.data.numpy())
dist_list.append(dist_matrix.data.numpy()) dist_list.append(dist_matrix.data.numpy())
stds = np.std(entropy_list, axis=1) stds = np.std(entropy_list, axis=1)
means = np.mean(entropy_list, axis=1) means = np.mean(entropy_list, axis=1)
plt.errorbar(np.arange(len(entropy_list)), means, stds, marker='o') plt.errorbar(np.arange(len(entropy_list)), means, stds, marker="o")
plt.ylabel("Entropy of Weight Distribution") plt.ylabel("Entropy of Weight Distribution")
plt.xlabel("Number of Routing") plt.xlabel("Number of Routing")
plt.xticks(np.arange(len(entropy_list))) plt.xticks(np.arange(len(entropy_list)))
...@@ -189,8 +197,8 @@ plt.close() ...@@ -189,8 +197,8 @@ plt.close()
# #
# Alternatively, we can also watch the evolution of histograms. # Alternatively, we can also watch the evolution of histograms.
import seaborn as sns
import matplotlib.animation as animation import matplotlib.animation as animation
import seaborn as sns
fig = plt.figure(dpi=150) fig = plt.figure(dpi=150)
fig.clf() fig.clf()
...@@ -204,7 +212,9 @@ def dist_animate(i): ...@@ -204,7 +212,9 @@ def dist_animate(i):
ax.set_title("Routing: %d" % (i)) ax.set_title("Routing: %d" % (i))
ani = animation.FuncAnimation(fig, dist_animate, frames=len(entropy_list), interval=500) ani = animation.FuncAnimation(
fig, dist_animate, frames=len(entropy_list), interval=500
)
plt.close() plt.close()
############################################################################################################ ############################################################################################################
...@@ -226,22 +236,43 @@ pos = dict() ...@@ -226,22 +236,43 @@ pos = dict()
fig2 = plt.figure(figsize=(8, 3), dpi=150) fig2 = plt.figure(figsize=(8, 3), dpi=150)
fig2.clf() fig2.clf()
ax = fig2.subplots() ax = fig2.subplots()
pos.update((n, (i, 1)) for i, n in zip(height_in_y, X)) # put nodes from X at x=1 pos.update(
pos.update((n, (i, 2)) for i, n in zip(height_out_y, Y)) # put nodes from Y at x=2 (n, (i, 1)) for i, n in zip(height_in_y, X)
) # put nodes from X at x=1
pos.update(
(n, (i, 2)) for i, n in zip(height_out_y, Y)
) # put nodes from Y at x=2
def weight_animate(i): def weight_animate(i):
ax.cla() ax.cla()
ax.axis('off') ax.axis("off")
ax.set_title("Routing: %d " % i) ax.set_title("Routing: %d " % i)
dm = dist_list[i] dm = dist_list[i]
nx.draw_networkx_nodes(g, pos, nodelist=range(in_nodes), node_color='r', node_size=100, ax=ax) nx.draw_networkx_nodes(
nx.draw_networkx_nodes(g, pos, nodelist=range(in_nodes, in_nodes + out_nodes), node_color='b', node_size=100, ax=ax) g, pos, nodelist=range(in_nodes), node_color="r", node_size=100, ax=ax
)
nx.draw_networkx_nodes(
g,
pos,
nodelist=range(in_nodes, in_nodes + out_nodes),
node_color="b",
node_size=100,
ax=ax,
)
for edge in g.edges(): for edge in g.edges():
nx.draw_networkx_edges(g, pos, edgelist=[edge], width=dm[edge[0], edge[1] - in_nodes] * 1.5, ax=ax) nx.draw_networkx_edges(
g,
pos,
ani2 = animation.FuncAnimation(fig2, weight_animate, frames=len(dist_list), interval=500) edgelist=[edge],
width=dm[edge[0], edge[1] - in_nodes] * 1.5,
ax=ax,
)
ani2 = animation.FuncAnimation(
fig2, weight_animate, frames=len(dist_list), interval=500
)
plt.close() plt.close()
############################################################################################################ ############################################################################################################
...@@ -257,4 +288,3 @@ plt.close() ...@@ -257,4 +288,3 @@ plt.close()
# .. |image3| image:: https://i.imgur.com/dMvu7p3.png # .. |image3| image:: https://i.imgur.com/dMvu7p3.png
# .. |image4| image:: https://github.com/VoVAllen/DGL_Capsule/raw/master/routing_dist.gif # .. |image4| image:: https://github.com/VoVAllen/DGL_Capsule/raw/master/routing_dist.gif
# .. |image5| image:: https://github.com/VoVAllen/DGL_Capsule/raw/master/routing_vis.gif # .. |image5| image:: https://github.com/VoVAllen/DGL_Capsule/raw/master/routing_vis.gif
tutorials/multi/1_graph_classification.py
View file @ 2b983869
...@@ -72,12 +72,15 @@ process ID, which should be an integer from `0` to `world_size - 1`. ...@@ -72,12 +72,15 @@ process ID, which should be an integer from `0` to `world_size - 1`.
import torch.distributed as dist import torch.distributed as dist
def init_process_group(world_size, rank): def init_process_group(world_size, rank):
dist.init_process_group( dist.init_process_group(
backend='gloo', # change to 'nccl' for multiple GPUs backend="gloo", # change to 'nccl' for multiple GPUs
init_method='tcp://127.0.0.1:12345', init_method="tcp://127.0.0.1:12345",
world_size=world_size, world_size=world_size,
rank=rank) rank=rank,
)
############################################################################### ###############################################################################
# Data Loader Preparation # Data Loader Preparation
...@@ -94,18 +97,21 @@ def init_process_group(world_size, rank): ...@@ -94,18 +97,21 @@ def init_process_group(world_size, rank):
from dgl.data import split_dataset from dgl.data import split_dataset
from dgl.dataloading import GraphDataLoader from dgl.dataloading import GraphDataLoader
def get_dataloaders(dataset, seed, batch_size=32): def get_dataloaders(dataset, seed, batch_size=32):
# Use a 80:10:10 train-val-test split # Use a 80:10:10 train-val-test split
train_set, val_set, test_set = split_dataset(dataset, train_set, val_set, test_set = split_dataset(
frac_list=[0.8, 0.1, 0.1], dataset, frac_list=[0.8, 0.1, 0.1], shuffle=True, random_state=seed
shuffle=True, )
random_state=seed) train_loader = GraphDataLoader(
train_loader = GraphDataLoader(train_set, use_ddp=True, batch_size=batch_size, shuffle=True) train_set, use_ddp=True, batch_size=batch_size, shuffle=True
)
val_loader = GraphDataLoader(val_set, batch_size=batch_size) val_loader = GraphDataLoader(val_set, batch_size=batch_size)
test_loader = GraphDataLoader(test_set, batch_size=batch_size) test_loader = GraphDataLoader(test_set, batch_size=batch_size)
return train_loader, val_loader, test_loader return train_loader, val_loader, test_loader
############################################################################### ###############################################################################
# Model Initialization # Model Initialization
# -------------------- # --------------------
...@@ -115,14 +121,20 @@ def get_dataloaders(dataset, seed, batch_size=32): ...@@ -115,14 +121,20 @@ def get_dataloaders(dataset, seed, batch_size=32):
import torch.nn as nn import torch.nn as nn
import torch.nn.functional as F import torch.nn.functional as F
from dgl.nn.pytorch import GINConv, SumPooling from dgl.nn.pytorch import GINConv, SumPooling
class GIN(nn.Module): class GIN(nn.Module):
def __init__(self, input_size=1, num_classes=2): def __init__(self, input_size=1, num_classes=2):
super(GIN, self).__init__() super(GIN, self).__init__()
self.conv1 = GINConv(nn.Linear(input_size, num_classes), aggregator_type='sum') self.conv1 = GINConv(
self.conv2 = GINConv(nn.Linear(num_classes, num_classes), aggregator_type='sum') nn.Linear(input_size, num_classes), aggregator_type="sum"
)
self.conv2 = GINConv(
nn.Linear(num_classes, num_classes), aggregator_type="sum"
)
self.pool = SumPooling() self.pool = SumPooling()
def forward(self, g, feats): def forward(self, g, feats):
...@@ -132,6 +144,7 @@ class GIN(nn.Module): ...@@ -132,6 +144,7 @@ class GIN(nn.Module):
return self.pool(g, feats) return self.pool(g, feats)
############################################################################### ###############################################################################
# To ensure same initial model parameters across processes, we need to set the # To ensure same initial model parameters across processes, we need to set the
# same random seed before model initialization. Once we construct a model # same random seed before model initialization. Once we construct a model
...@@ -141,16 +154,20 @@ class GIN(nn.Module): ...@@ -141,16 +154,20 @@ class GIN(nn.Module):
import torch import torch
from torch.nn.parallel import DistributedDataParallel from torch.nn.parallel import DistributedDataParallel
def init_model(seed, device): def init_model(seed, device):
torch.manual_seed(seed) torch.manual_seed(seed)
model = GIN().to(device) model = GIN().to(device)
if device.type == 'cpu': if device.type == "cpu":
model = DistributedDataParallel(model) model = DistributedDataParallel(model)
else: else:
model = DistributedDataParallel(model, device_ids=[device], output_device=device) model = DistributedDataParallel(
model, device_ids=[device], output_device=device
)
return model return model
############################################################################### ###############################################################################
# Main Function for Each Process # Main Function for Each Process
# ----------------------------- # -----------------------------
...@@ -158,6 +175,7 @@ def init_model(seed, device): ...@@ -158,6 +175,7 @@ def init_model(seed, device):
# Define the model evaluation function as in the single-GPU setting. # Define the model evaluation function as in the single-GPU setting.
# #
def evaluate(model, dataloader, device): def evaluate(model, dataloader, device):
model.eval() model.eval()
...@@ -168,7 +186,7 @@ def evaluate(model, dataloader, device): ...@@ -168,7 +186,7 @@ def evaluate(model, dataloader, device):
bg = bg.to(device) bg = bg.to(device)
labels = labels.to(device) labels = labels.to(device)
# Get input node features # Get input node features
feats = bg.ndata.pop('attr') feats = bg.ndata.pop("attr")
with torch.no_grad(): with torch.no_grad():
pred = model(bg, feats) pred = model(bg, feats)
_, pred = torch.max(pred, 1) _, pred = torch.max(pred, 1)
...@@ -177,26 +195,27 @@ def evaluate(model, dataloader, device): ...@@ -177,26 +195,27 @@ def evaluate(model, dataloader, device):
return 1.0 * total_correct / total return 1.0 * total_correct / total
############################################################################### ###############################################################################
# Define the main function for each process. # Define the main function for each process.
# #
from torch.optim import Adam from torch.optim import Adam
def main(rank, world_size, dataset, seed=0): def main(rank, world_size, dataset, seed=0):
init_process_group(world_size, rank) init_process_group(world_size, rank)
if torch.cuda.is_available(): if torch.cuda.is_available():
device = torch.device('cuda:{:d}'.format(rank)) device = torch.device("cuda:{:d}".format(rank))
torch.cuda.set_device(device) torch.cuda.set_device(device)
else: else:
device = torch.device('cpu') device = torch.device("cpu")
model = init_model(seed, device) model = init_model(seed, device)
criterion = nn.CrossEntropyLoss() criterion = nn.CrossEntropyLoss()
optimizer = Adam(model.parameters(), lr=0.01) optimizer = Adam(model.parameters(), lr=0.01)
train_loader, val_loader, test_loader = get_dataloaders(dataset, train_loader, val_loader, test_loader = get_dataloaders(dataset, seed)
seed)
for epoch in range(5): for epoch in range(5):
model.train() model.train()
# The line below ensures all processes use a different # The line below ensures all processes use a different
...@@ -207,7 +226,7 @@ def main(rank, world_size, dataset, seed=0): ...@@ -207,7 +226,7 @@ def main(rank, world_size, dataset, seed=0):
for bg, labels in train_loader: for bg, labels in train_loader:
bg = bg.to(device) bg = bg.to(device)
labels = labels.to(device) labels = labels.to(device)
feats = bg.ndata.pop('attr') feats = bg.ndata.pop("attr")
pred = model(bg, feats) pred = model(bg, feats)
loss = criterion(pred, labels) loss = criterion(pred, labels)
...@@ -216,15 +235,16 @@ def main(rank, world_size, dataset, seed=0): ...@@ -216,15 +235,16 @@ def main(rank, world_size, dataset, seed=0):
loss.backward() loss.backward()
optimizer.step() optimizer.step()
loss = total_loss loss = total_loss
print('Loss: {:.4f}'.format(loss)) print("Loss: {:.4f}".format(loss))
val_acc = evaluate(model, val_loader, device) val_acc = evaluate(model, val_loader, device)
print('Val acc: {:.4f}'.format(val_acc)) print("Val acc: {:.4f}".format(val_acc))
test_acc = evaluate(model, test_loader, device) test_acc = evaluate(model, test_loader, device)
print('Test acc: {:.4f}'.format(test_acc)) print("Test acc: {:.4f}".format(test_acc))
dist.destroy_process_group() dist.destroy_process_group()
############################################################################### ###############################################################################
# Finally we load the dataset and launch the processes. # Finally we load the dataset and launch the processes.
# #
......
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