Enhancing GraphGym Documentation

examples/contrib/pgm_explainer_graph_classification.py

@@ -5,8 +5,8 @@
 import os.path as osp
 
 import torch
-import torch.nn as nn
 import torch.nn.functional as F
+from torch.nn import Linear, ReLU, Sequential
 
 import torch_geometric.transforms as T
 from torch_geometric.contrib.explain import PGMExplainer
@@ -37,15 +37,21 @@ def normalized_cut_2d(edge_index, pos):
     return normalized_cut(edge_index, edge_attr, num_nodes=pos.size(0))
 
 
-class Net(nn.Module):
+class Net(torch.nn.Module):
     def __init__(self):
         super().__init__()
-        nn1 = nn.Sequential(nn.Linear(2, 25), nn.ReLU(),
-                            nn.Linear(25, d.num_features * 32))
+        nn1 = Sequential(
+            Linear(2, 25),
+            ReLU(),
+            Linear(25, d.num_features * 32),
+        )
         self.conv1 = NNConv(d.num_features, 32, nn1, aggr='mean')
 
-        nn2 = nn.Sequential(nn.Linear(2, 25), nn.ReLU(),
-                            nn.Linear(25, 32 * 64))
+        nn2 = Sequential(
+            Linear(2, 25),
+            ReLU(),
+            Linear(25, 32 * 64),
+        )
         self.conv2 = NNConv(32, 64, nn2, aggr='mean')
 
         self.fc1 = torch.nn.Linear(64, 128)

examples/distributed/graphlearn_for_pytorch/dist_train_sage_supervised.py

@@ -69,7 +69,8 @@ def run_training_proc(
         backend='nccl',  # or choose 'gloo' if 'nccl' is not supported.
         rank=current_ctx.rank,
         world_size=current_ctx.world_size,
-        init_method='tcp://{}:{}'.format(master_addr, training_pg_master_port))
+        init_method=f'tcp://{master_addr}:{training_pg_master_port}',
+    )
 
     # Create distributed neighbor loader for training.
     # We replace PyG's NeighborLoader with GLT's DistNeighborLoader.

examples/infomax_inductive.py

@@ -1,7 +1,6 @@
 import os.path as osp
 
 import torch
-import torch.nn as nn
 from tqdm import tqdm
 
 from torch_geometric.datasets import Reddit
@@ -19,7 +18,7 @@
                              num_workers=12)
 
 
-class Encoder(nn.Module):
+class Encoder(torch.nn.Module):
     def __init__(self, in_channels, hidden_channels):
         super().__init__()
         self.convs = torch.nn.ModuleList([
@@ -30,9 +29,9 @@ def __init__(self, in_channels, hidden_channels):
 
         self.activations = torch.nn.ModuleList()
         self.activations.extend([
-            nn.PReLU(hidden_channels),
-            nn.PReLU(hidden_channels),
-            nn.PReLU(hidden_channels)
+            torch.nn.PReLU(hidden_channels),
+            torch.nn.PReLU(hidden_channels),
+            torch.nn.PReLU(hidden_channels)
         ])
 
     def forward(self, x, edge_index, batch_size):

examples/kuzu/papers_100M/train.py

@@ -4,7 +4,6 @@
 import kuzu
 import pandas as pd
 import torch
-import torch.nn as nn
 import torch.nn.functional as F
 from tqdm import tqdm
 
@@ -60,13 +59,13 @@
 )
 
 
-class GraphSAGE(nn.Module):
+class GraphSAGE(torch.nn.Module):
     def __init__(self, in_channels, hidden_channels, out_channels, num_layers,
                  dropout=0.2):
         super().__init__()
 
-        self.convs = nn.ModuleList()
-        self.norms = nn.ModuleList()
+        self.convs = torch.nn.ModuleList()
+        self.norms = torch.nn.ModuleList()
 
         self.convs.append(SAGEConv(in_channels, hidden_channels))
         self.bns.append(BatchNorm(hidden_channels))

examples/mnist_nn_conv.py

@@ -1,8 +1,8 @@
 import os.path as osp
 
 import torch
-import torch.nn as nn
 import torch.nn.functional as F
+from torch.nn import Linear, ReLU, Sequential
 
 import torch_geometric.transforms as T
 from torch_geometric.datasets import MNISTSuperpixels
@@ -35,15 +35,21 @@ def normalized_cut_2d(edge_index, pos):
     return normalized_cut(edge_index, edge_attr, num_nodes=pos.size(0))
 
 
-class Net(nn.Module):
+class Net(torch.nn.Module):
     def __init__(self):
         super().__init__()
-        nn1 = nn.Sequential(nn.Linear(2, 25), nn.ReLU(),
-                            nn.Linear(25, d.num_features * 32))
+        nn1 = Sequential(
+            Linear(2, 25),
+            ReLU(),
+            Linear(25, d.num_features * 32),
+        )
         self.conv1 = NNConv(d.num_features, 32, nn1, aggr='mean')
 
-        nn2 = nn.Sequential(nn.Linear(2, 25), nn.ReLU(),
-                            nn.Linear(25, 32 * 64))
+        nn2 = Sequential(
+            Linear(2, 25),
+            ReLU(),
+            Linear(25, 32 * 64),
+        )
         self.conv2 = NNConv(32, 64, nn2, aggr='mean')
 
         self.fc1 = torch.nn.Linear(64, 128)

torch_geometric/graphgym/config.py

@@ -452,8 +452,8 @@ def set_cfg(cfg):
 def assert_cfg(cfg):
     r"""Checks config values, do necessary post processing to the configs"""
     if cfg.dataset.task not in ['node', 'edge', 'graph', 'link_pred']:
-        raise ValueError('Task {} not supported, must be one of node, '
-                         'edge, graph, link_pred'.format(cfg.dataset.task))
+        raise ValueError(f"Task '{cfg.dataset.task}' not supported. Must be "
+                         f"one of node, edge, graph, link_pred")
     if 'classification' in cfg.dataset.task_type and cfg.model.loss_fun == \
             'mse':
         cfg.model.loss_fun = 'cross_entropy'

torch_geometric/graphgym/contrib/layer/generalconv.py

@@ -1,5 +1,4 @@
 import torch
-import torch.nn as nn
 from torch.nn import Parameter
 
 from torch_geometric.graphgym.config import cfg
@@ -9,8 +8,7 @@
 
 
 class GeneralConvLayer(MessagePassing):
-    r"""General GNN layer
-    """
+    r"""A general GNN layer."""
     def __init__(self, in_channels, out_channels, improved=False, cached=False,
                  bias=True, **kwargs):
         super().__init__(aggr=cfg.gnn.agg, **kwargs)
@@ -128,13 +126,23 @@ def __init__(self, in_channels, out_channels, edge_dim, improved=False,
         self.msg_direction = cfg.gnn.msg_direction
 
         if self.msg_direction == 'single':
-            self.linear_msg = nn.Linear(in_channels + edge_dim, out_channels,
-                                        bias=False)
+            self.linear_msg = torch.nn.Linear(
+                in_channels + edge_dim,
+                out_channels,
+                bias=False,
+            )
         else:
-            self.linear_msg = nn.Linear(in_channels * 2 + edge_dim,
-                                        out_channels, bias=False)
+            self.linear_msg = torch.nn.Linear(
+                in_channels * 2 + edge_dim,
+                out_channels,
+                bias=False,
+            )
         if cfg.gnn.self_msg == 'concat':
-            self.linear_self = nn.Linear(in_channels, out_channels, bias=False)
+            self.linear_self = torch.nn.Linear(
+                in_channels,
+                out_channels,
+                bias=False,
+            )
 
         if bias:
             self.bias = Parameter(torch.empty(out_channels))

torch_geometric/graphgym/init.py

@@ -1,4 +1,4 @@
-import torch.nn as nn
+import torch
 
 
 def init_weights(m):
@@ -9,11 +9,12 @@ def init_weights(m):
         m (nn.Module): PyTorch module
 
     """
-    if isinstance(m, nn.BatchNorm2d) or isinstance(m, nn.BatchNorm1d):
+    if (isinstance(m, torch.nn.BatchNorm2d)
+            or isinstance(m, torch.nn.BatchNorm1d)):
         m.weight.data.fill_(1.0)
         m.bias.data.zero_()
-    elif isinstance(m, nn.Linear):
-        m.weight.data = nn.init.xavier_uniform_(
-            m.weight.data, gain=nn.init.calculate_gain('relu'))
+    elif isinstance(m, torch.nn.Linear):
+        m.weight.data = torch.nn.init.xavier_uniform_(
+            m.weight.data, gain=torch.nn.init.calculate_gain('relu'))
         if m.bias is not None:
             m.bias.data.zero_()

torch_geometric/graphgym/loader.py

@@ -1,3 +1,4 @@
+import os.path as osp
 from typing import Callable
 
 import torch
@@ -58,7 +59,7 @@ def load_pyg(name, dataset_dir):
     Returns: PyG dataset object
 
     """
-    dataset_dir = '{}/{}'.format(dataset_dir, name)
+    dataset_dir = osp.join(dataset_dir, name)
     if name in ['Cora', 'CiteSeer', 'PubMed']:
         dataset = Planetoid(dataset_dir, name)
     elif name[:3] == 'TU_':
@@ -87,7 +88,7 @@ def load_pyg(name, dataset_dir):
     elif name == 'QM7b':
         dataset = QM7b(dataset_dir)
     else:
-        raise ValueError('{} not support'.format(name))
+        raise ValueError(f"'{name}' not support")
 
     return dataset
 
@@ -194,7 +195,7 @@ def load_dataset():
     elif format == 'OGB':
         dataset = load_ogb(name.replace('_', '-'), dataset_dir)
     else:
-        raise ValueError('Unknown data format: {}'.format(format))
+        raise ValueError(f"Unknown data format '{format}'")
     return dataset
 
 
@@ -290,19 +291,23 @@ def get_loader(dataset, sampler, batch_size, shuffle=True):
                                   pin_memory=True,
                                   persistent_workers=pw)
     elif sampler == "cluster":
-        loader_train = \
-            ClusterLoader(dataset[0],
-                          num_parts=cfg.train.train_parts,
-                          save_dir="{}/{}".format(cfg.dataset.dir,
-                                                  cfg.dataset.name.replace(
-                                                      "-", "_")),
-                          batch_size=batch_size, shuffle=shuffle,
-                          num_workers=cfg.num_workers,
-                          pin_memory=True,
-                          persistent_workers=pw)
+        loader_train = ClusterLoader(
+            dataset[0],
+            num_parts=cfg.train.train_parts,
+            save_dir=osp.join(
+                cfg.dataset.dir,
+                cfg.dataset.name.replace("-", "_"),
+            ),
+            batch_size=batch_size,
+            shuffle=shuffle,
+            num_workers=cfg.num_workers,
+            pin_memory=True,
+            persistent_workers=pw,
+        )
 
     else:
-        raise NotImplementedError("%s sampler is not implemented!" % sampler)
+        raise NotImplementedError(f"'{sampler}' is not implemented")
+
     return loader_train
 
 

torch_geometric/graphgym/loss.py

@@ -1,5 +1,4 @@
 import torch
-import torch.nn as nn
 import torch.nn.functional as F
 
 import torch_geometric.graphgym.register as register
@@ -17,8 +16,8 @@ def compute_loss(pred, true):
     Returns: Loss, normalized prediction score
 
     """
-    bce_loss = nn.BCEWithLogitsLoss(reduction=cfg.model.size_average)
-    mse_loss = nn.MSELoss(reduction=cfg.model.size_average)
+    bce_loss = torch.nn.BCEWithLogitsLoss(reduction=cfg.model.size_average)
+    mse_loss = torch.nn.MSELoss(reduction=cfg.model.size_average)
 
     # default manipulation for pred and true
     # can be skipped if special loss computation is needed
@@ -44,5 +43,4 @@ def compute_loss(pred, true):
         true = true.float()
         return mse_loss(pred, true), pred
     else:
-        raise ValueError('Loss func {} not supported'.format(
-            cfg.model.loss_fun))
+        raise ValueError(f"Loss function '{cfg.model.loss_fun}' not supported")

torch_geometric/graphgym/models/act.py

@@ -1,35 +1,35 @@
-import torch.nn as nn
+import torch
 
 from torch_geometric.graphgym.config import cfg
 from torch_geometric.graphgym.register import register_act
 
 
 def relu():
-    return nn.ReLU(inplace=cfg.mem.inplace)
+    return torch.nn.ReLU(inplace=cfg.mem.inplace)
 
 
 def selu():
-    return nn.SELU(inplace=cfg.mem.inplace)
+    return torch.nn.SELU(inplace=cfg.mem.inplace)
 
 
 def prelu():
-    return nn.PReLU()
+    return torch.nn.PReLU()
 
 
 def elu():
-    return nn.ELU(inplace=cfg.mem.inplace)
+    return torch.nn.ELU(inplace=cfg.mem.inplace)
 
 
 def lrelu_01():
-    return nn.LeakyReLU(0.1, inplace=cfg.mem.inplace)
+    return torch.nn.LeakyReLU(0.1, inplace=cfg.mem.inplace)
 
 
 def lrelu_025():
-    return nn.LeakyReLU(0.25, inplace=cfg.mem.inplace)
+    return torch.nn.LeakyReLU(0.25, inplace=cfg.mem.inplace)
 
 
 def lrelu_05():
-    return nn.LeakyReLU(0.5, inplace=cfg.mem.inplace)
+    return torch.nn.LeakyReLU(0.5, inplace=cfg.mem.inplace)
 
 
 if cfg is not None: