DW_图深度学习_Task_4
学习内容:
- 数据完全存于内存的数据集类
- 节点预测与边预测任务实践
学习地址: github/datawhalechina/team-learning-nlp/GNN/
本次学习包括两个部分,构造数据完全存于内存的数据集类以及节点和边的预测任务实现。
数据完全存于内存的数据集类
PyG使用数据的一般过程
- 从网络上下载数据原始文件;
- 对数据原始文件做处理,为每一个图样本生成一个Data对象;
- 对每一个Data对象执行数据处理,使其转换成新的Data对象;
- 过滤Data对象;
- 保存Data对象到文件;
- 获取Data对象,在每一次获取Data对象时,都先对Data对象做数据变换(于是获取到的是数据变换后的Data对象)
InMemoryDataset基类
节点预测与边预测任务实践
节点预测代码结构
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导入SDK
import os.path as osp import torch import torch.nn.functional as F from torch_geometric.data import (InMemoryDataset, download_url) from torch_geometric.nn import GATConv, Sequential from torch_geometric.transforms import NormalizeFeatures from torch_geometric.io import read_planetoid_data from torch.nn import Linear, ReLU
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定义PlanetoidPubMed数据集类
class PlanetoidPubMed(InMemoryDataset): url = 'https://github.com/kimiyoung/planetoid/raw/master/data' def __init__(self, root, split="public", num_train_per_class=20, num_val=500, num_test=1000, transform=None, pre_transform=None): super(PlanetoidPubMed, self).__init__(root, transform, pre_transform) self.data, self.slices = torch.load(self.processed_paths[0]) self.split = split assert self.split in ['public', 'full', 'random'] if split == 'full': data = self.get(0) data.train_mask.fill_(True) data.train_mask[data.val_mask | data.test_mask] = False self.data, self.slices = self.collate([data]) elif split == 'random': data = self.get(0) data.train_mask.fill_(False) for c in range(self.num_classes): idx = (data.y == c).nonzero(as_tuple=False).view(-1) idx = idx[torch.randperm(idx.size(0))[:num_train_per_class]] data.train_mask[idx] = True remaining = (~data.train_mask).nonzero(as_tuple=False).view(-1) remaining = remaining[torch.randperm(remaining.size(0))] data.val_mask.fill_(False) data.val_mask[remaining[:num_val]] = True data.test_mask.fill_(False) data.test_mask[remaining[num_val:num_val + num_test]] = True self.data, self.slices = self.collate([data]) @property def raw_dir(self): return osp.join(self.root, 'raw') @property def processed_dir(self): return osp.join(self.root, 'processed') @property def raw_file_names(self): names = ['x', 'tx', 'allx', 'y', 'ty', 'ally', 'graph', 'test.index'] return ['ind.pubmed.{}'.format(name) for name in names] @property def processed_file_names(self): return 'data.pt' def download(self): for name in self.raw_file_names: download_url('{}/{}'.format(self.url, name), self.raw_dir) def process(self): data = read_planetoid_data(self.raw_dir, 'pubmed') data = data if self.pre_transform is None else self.pre_transform(data) torch.save(self.collate([data]), self.processed_paths[0]) def __repr__(self): return '{}()'.format(self.name)
dataset = PlanetoidPubMed(root='data/PlanetoidPubMed/', transform=NormalizeFeatures()) print('dataset.num_features:', dataset.num_features) device = torch.device('cuda' if torch.cuda.is_available() else 'cpu') data = dataset[0].to(device)
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定义网络和训练测试模块
def train(): model.train() optimizer.zero_grad() # Clear gradients. out = model(data.x, data.edge_index) # Perform a single forward pass. # Compute the loss solely based on the training nodes. loss = criterion(out[data.train_mask], data.y[data.train_mask]) loss.backward() # Derive gradients. optimizer.step() # Update parameters based on gradients. return loss def test(): model.eval() out = model(data.x, data.edge_index) pred = out.argmax(dim=1) # Use the class with highest probability. test_correct = pred[data.test_mask] == data.y[data.test_mask] # Check against ground-truth labels. test_acc = int(test_correct.sum()) / int(data.test_mask.sum()) # Derive ratio of correct predictions. return test_acc class GAT(torch.nn.Module): def __init__(self, num_features, hidden_channels_list, num_classes): super(GAT, self).__init__() torch.manual_seed(12345) hns = [num_features] + hidden_channels_list conv_list = [] for idx in range(len(hidden_channels_list)): conv_list.append((GATConv(hns[idx], hns[idx+1]), 'x, edge_index -> x')) conv_list.append(ReLU(inplace=True),) self.convseq = Sequential('x, edge_index', conv_list) self.linear = Linear(hidden_channels_list[-1], num_classes) def forward(self, x, edge_index): x = self.convseq(x, edge_index) x = F.dropout(x, p=0.5, training=self.training) x = self.linear(x) return x
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模型训练及测试
%%time model = GAT(num_features=dataset.num_features, hidden_channels_list=[200, 100], num_classes=dataset.num_classes).to(device) print(model) optimizer = torch.optim.Adam(model.parameters(), lr=0.01, weight_decay=5e-4) criterion = torch.nn.CrossEntropyLoss() for epoch in range(1, 201): loss = train() if epoch % 50 == 0: print(f'Epoch: {epoch:03d}, Loss: {loss:.4f}')
test_acc = test() print(f'Test Accuracy: {test_acc:.4f}')
边预测
边预测任务,目标是预测两个节点之间是否存在边。
边预测任务的网络包括三大部分:
Encode, decode 以及用于推理的decode_all部分。
import torch
from torch_geometric.nn import GCNConv
class Net(torch.nn.Module):
def __init__(self, in_channels, out_channels):
super(Net, self).__init__()
self.conv1 = GCNConv(in_channels, 128)
self.conv2 = GCNConv(128, out_channels)
def encode(self, x, edge_index):
x = self.conv1(x, edge_index)
x = x.relu()
return self.conv2(x, edge_index)
def decode(self, z, pos_edge_index, neg_edge_index):
edge_index = torch.cat([pos_edge_index, neg_edge_index], dim=-1)
return (z[edge_index[0]] * z[edge_index[1]]).sum(dim=-1)
def decode_all(self, z):
prob_adj = z @ z.t()
return (prob_adj > 0).nonzero(as_tuple=False).t()
关于边预测任务中数据集的划分问题,需要进一步查资料深入研究。这部分内容明天要查一下相关的学习资料琢磨清楚。