[GCN] 增加可视化+代码注释 of GitHub项目：Graph Convolutional Networks in PyTorch

增加可视化+代码注释 of GitHub项目：Graph Convolutional Networks in PyTorch

更详细的，强烈推荐另一篇博客：[GCN] 代码解析 of GitHub：Graph Convolutional Networks in PyTorch

GitHub地址

原项目GitHub（无结果可视化）：

Graph Convolutional Networks in PyTorch

可视化+代码注释GitHub：

Modification of Graph Convolutional Networks in PyTorch

可视化结果展示

可视化通过visdom完成，由t-SNE算法完成数据降维。

降维到2维：

降维到3维：

代码注释

layers.py

import math

import torch

from torch.nn.parameter import Parameter
from torch.nn.modules.module import Module


class GraphConvolution(Module):
    """
    Simple GCN layer, similar to https://arxiv.org/abs/1609.02907
    """
    '''定义对象的属性'''
    def __init__(self, in_features, out_features, bias=True):
        super(GraphConvolution, self).__init__()
        self.in_features = in_features
        self.out_features = out_features
        self.weight = Parameter(torch.FloatTensor(in_features, out_features))           # in_features × out_features
        if bias:
            self.bias = Parameter(torch.FloatTensor(out_features))
        else:
            self.register_parameter('bias', None)
        self.reset_parameters()

    '''生成权重'''
    def reset_parameters(self):
        stdv = 1. / math.sqrt(self.weight.size(1))
        self.weight.data.uniform_(-stdv, stdv)          # .uniform()：将tensor用从均匀分布中抽样得到的值填充。
        if self.bias is not None:
            self.bias.data.uniform_(-stdv, stdv)

    '''前向传播 of 一层之内：即本层的计算方法：A_hat * X * W '''
    def forward(self, input, adj):
        support = torch.mm(input, self.weight)          # torch.mm：Matrix multiply，input和weight实现矩阵点乘。
        output = torch.spmm(adj, support)               # torch.spmm：稀疏矩阵乘法，sp即sparse。
        if self.bias is not None:
            return output + self.bias
        else:
            return output

    '''把一个对象用字符串的形式表达出来以便辨认，在终端调用的时候会显示信息'''
    def __repr__(self):
        return self.__class__.__name__ + ' (' \
               + str(self.in_features) + ' -> ' \
               + str(self.out_features) + ')'

models.py

import torch.nn as nn
import torch.nn.functional as F
from pygcn.layers import GraphConvolution

'''GCN类'''
class GCN(nn.Module):
    def __init__(self, nfeat, nhid, nclass, dropout):
        super(GCN, self).__init__()

        self.gc1 = GraphConvolution(nfeat, nhid)        # 第一层
        self.gc2 = GraphConvolution(nhid, nclass)       # 第二层
        self.dropout = dropout                          # 定义dropout

    '''前向传播 of 层间：整个网络的前向传播的方式：relu(gc1) --> dropout --> gc2 --> log_softmax'''
    def forward(self, x, adj):
        x = F.relu(self.gc1(x, adj))
        x = F.dropout(x, self.dropout, training=self.training)
        x = self.gc2(x, adj)
        return F.log_softmax(x, dim=1)

train.py

from __future__ import division
from __future__ import print_function

# 路径初始化
import os, sys
curPath = os.path.abspath(os.path.dirname(__file__))
rootPath = os.path.split(curPath)[0]
sys.path.append(rootPath)
sys.path.append('E:\\Anaconda\\lib\\site-packages\\')
# print(sys.path)
print('Path initialization finished！\n')

# 可视化增加路径
from time import time
from sklearn import manifold, datasets


# visdom显示模块
from visdom import Visdom

import time
import argparse
import numpy as np

import torch
import torch.nn.functional as F
import torch.optim as optim

from pygcn.utils import load_data, accuracy
from pygcn.models import GCN

def show_Hyperparameter(args):
    argsDict = args.__dict__
    print(argsDict)
    print('the settings are as following:\n')
    for key in argsDict:
        print(key,':',argsDict[key])

def train(epoch):
    t = time.time()
    model.train()
    optimizer.zero_grad()
    '''计算输出时，对所有的节点计算输出'''
    output = model(features, adj)
    '''损失函数，仅对训练集节点计算，即：优化仅对训练集数据进行'''
    loss_train = F.nll_loss(output[idx_train], labels[idx_train])
    # 计算准确率
    acc_train = accuracy(output[idx_train], labels[idx_train])
    # 反向传播
    loss_train.backward()
    # 优化
    optimizer.step()

    '''fastmode ? '''
    if not args.fastmode:
        # Evaluate validation set performance separately,
        # deactivates dropout during validation run.
        model.eval()
        output = model(features, adj)

    '''验证集 loss 和 accuracy '''
    loss_val = F.nll_loss(output[idx_val], labels[idx_val])
    acc_val = accuracy(output[idx_val], labels[idx_val])
    '''输出训练集+验证集的 loss 和 accuracy '''
    print('Epoch: {:04d}'.format(epoch+1),
          'loss_train: {:.4f}'.format(loss_train.item()),
          'acc_train: {:.4f}'.format(acc_train.item()),
          'loss_val: {:.4f}'.format(loss_val.item()),
          'acc_val: {:.4f}'.format(acc_val.item()),
          'time: {:.4f}s'.format(time.time() - t))

def test():
    model.eval()
    output = model(features, adj)
    loss_test = F.nll_loss(output[idx_test], labels[idx_test])
    acc_test = accuracy(output[idx_test], labels[idx_test])
    print("Test set results:",
          "loss= {:.4f}".format(loss_test.item()),
          "accuracy= {:.4f}".format(acc_test.item()))
    return output                                                   # 可视化返回output

# t-SNE 降维
def t_SNE(output, dimention):
    # output:待降维的数据
    # dimention：降低到的维度
    tsne = manifold.TSNE(n_components=dimention, init='pca', random_state=0)
    result = tsne.fit_transform(output)
    return result

# Visualization with visdom
def Visualization(result, labels):
    vis=Visdom()
    vis.scatter(
        X =  result,
        Y = labels+1,           # 将label的最小值从0变为1，显示时label不可为0
       opts=dict(markersize=5,title='Dimension reduction to %dD' %(result.shape[1])),
    )

'''代码主函数开始'''
# Training settings
parser = argparse.ArgumentParser()
parser.add_argument('--no-cuda', action='store_true', default=False,
                    help='Disables CUDA training.')
parser.add_argument('--fastmode', action='store_true', default=False,
                    help='Validate during training pass.')
parser.add_argument('--seed', type=int, default=42, help='Random seed.')
parser.add_argument('--epochs', type=int, default=200,
                    help='Number of epochs to train.')
parser.add_argument('--lr', type=float, default=0.01,
                    help='Initial learning rate.')
parser.add_argument('--weight_decay', type=float, default=5e-4,
                    help='Weight decay (L2 loss on parameters).')
parser.add_argument('--hidden', type=int, default=16,
                    help='Number of hidden units.')
parser.add_argument('--dropout', type=float, default=0.5,
                    help='Dropout rate (1 - keep probability).')

args = parser.parse_args()


# 显示args
show_Hyperparameter(args)

# 是否使用CUDA
args.cuda = not args.no_cuda and torch.cuda.is_available()

np.random.seed(args.seed)
torch.manual_seed(args.seed)
if args.cuda:
    torch.cuda.manual_seed(args.seed)

# Load data
adj, features, labels, idx_train, idx_val, idx_test = load_data()           # 返回可视化要用的labels

# Model
model = GCN(nfeat=features.shape[1],
            nhid=args.hidden,
            nclass=labels.max().item() + 1,
            dropout=args.dropout)
# optimizer
optimizer = optim.Adam(model.parameters(),
                       lr=args.lr, weight_decay=args.weight_decay)

# to CUDA
if args.cuda:
    model.cuda()
    features = features.cuda()
    adj = adj.cuda()
    labels = labels.cuda()
    idx_train = idx_train.cuda()
    idx_val = idx_val.cuda()
    idx_test = idx_test.cuda()

# Train model
t_total = time.time()
for epoch in range(args.epochs):
    train(epoch)
print("Optimization Finished!")
print("Total time elapsed: {:.4f}s".format(time.time() - t_total))

# Testing
output=test()           # 返回output

# output的格式转换
output=output.cpu().detach().numpy()
labels=labels.cpu().detach().numpy()

# # 查看结果信息
# print(result)
# print(type(result))     # <class 'numpy.ndarray'>
# print(result.shape)     # (2708, 2)
# print(labels)
# print(type(labels))     # <class 'numpy.ndarray'>
# print(labels.shape)     # (2708, 2)

# Visualization with visdom
result=t_SNE(output,2)
Visualization(result,labels)

result=t_SNE(output,3)
Visualization(result,labels)

utils.py

import numpy as np
import scipy.sparse as sp
import torch


def encode_onehot(labels):
    classes = set(labels)       # set() 函数创建一个无序不重复元素集

    # enumerate()函数生成序列，带有索引i和值c。
    # 这一句将string类型的label变为int类型的label，建立映射关系
    classes_dict = {c: np.identity(len(classes))[i, :] for i, c in
                    enumerate(classes)}
    # map() 会根据提供的函数对指定序列做映射。
    # 这一句将string类型的label替换为int类型的label
    labels_onehot = np.array(list(map(classes_dict.get, labels)),
                             dtype=np.int32)
    # 返回int类型的label
    return labels_onehot

'''数据读取'''
# 更改路径。由../改为C:\Users\73416\PycharmProjects\PyGCN
def load_data(path="C:/Users/73416/PycharmProjects/PyGCN_Visualization/data/cora/", dataset="cora"):
    """Load citation network dataset (cora only for now)"""
    print('Loading {} dataset...'.format(dataset))
    ''' cora.content 介绍：
    cora.content共有2708行，每一行代表一个样本点，即一篇论文。
    每一行由三部分组成:
    是论文的编号，如31336；
    论文的词向量，一个有1433位的二进制；
    论文的类别，如Neural_Networks。总共7种类别（label）
    第一个是论文编号，最后一个是论文类别，中间是自己的信息（feature）
    '''

    '''读取feature和label'''
    # 以字符串形式读取数据集文件：各自的信息。
    idx_features_labels = np.genfromtxt("{}{}.content".format(path, dataset),
                                        dtype=np.dtype(str))

    # csr_matrix：Compressed Sparse Row marix，稀疏np.array的压缩
    # idx_features_labels[:, 1:-1]表明跳过论文编号和论文类别，只取自己的信息（feature of node）
    features = sp.csr_matrix(idx_features_labels[:, 1:-1], dtype=np.float32)

    # idx_features_labels[:, -1]表示只取最后一个，即论文类别，得到的返回值为int类型的label
    labels = encode_onehot(idx_features_labels[:, -1])

    # build graph
    # idx_features_labelsidx_features_labels[:, 0]表示取论文编号
    idx = np.array(idx_features_labels[:, 0], dtype=np.int32)

    # 通过建立论文序号的序列，得到论文序号的字典
    idx_map = {j: i for i, j in enumerate(idx)}
    edges_unordered = np.genfromtxt("{}{}.cites".format(path, dataset),
                                    dtype=np.int32)
    # 进行一次论文序号的映射
    # 论文编号没有用，需要重新的其进行编号（从0开始），然后对原编号进行替换。
    # 所以目的是把离散的原始的编号，变成0 - 2707的连续编号
    edges = np.array(list(map(idx_map.get, edges_unordered.flatten())),
                     dtype=np.int32).reshape(edges_unordered.shape)

    # coo_matrix()：系数矩阵的压缩。分别定义有那些非零元素，以及各个非零元素对应的row和col，最后定义稀疏矩阵的shape。
    adj = sp.coo_matrix((np.ones(edges.shape[0]), (edges[:, 0], edges[:, 1])),
                        shape=(labels.shape[0], labels.shape[0]),
                        dtype=np.float32)

    # build symmetric adjacency matrix
    adj = adj + adj.T.multiply(adj.T > adj) - adj.multiply(adj.T > adj)

    # feature和adj归一化
    features = normalize(features)
    adj = normalize(adj + sp.eye(adj.shape[0]))

    # train set, validation set, test set的分组。
    idx_train = range(140)
    idx_val = range(200, 500)
    idx_test = range(500, 1500)

    # 数据类型转tensor
    features = torch.FloatTensor(np.array(features.todense()))
    labels = torch.LongTensor(np.where(labels)[1])
    adj = sparse_mx_to_torch_sparse_tensor(adj)

    idx_train = torch.LongTensor(idx_train)
    idx_val = torch.LongTensor(idx_val)
    idx_test = torch.LongTensor(idx_test)

    # 返回数据
    return adj, features, labels, idx_train, idx_val, idx_test


'''归一化函数'''
def normalize(mx):
    """Row-normalize sparse matrix"""
    rowsum = np.array(mx.sum(1))
    r_inv = np.power(rowsum, -1).flatten()
    r_inv[np.isinf(r_inv)] = 0.
    r_mat_inv = sp.diags(r_inv)
    mx = r_mat_inv.dot(mx)
    return mx

'''计算accuracy'''
def accuracy(output, labels):
    preds = output.max(1)[1].type_as(labels)
    correct = preds.eq(labels).double()
    correct = correct.sum()
    return correct / len(labels)

'''稀疏矩阵转稀疏张量'''
def sparse_mx_to_torch_sparse_tensor(sparse_mx):
    """Convert a scipy sparse matrix to a torch sparse tensor."""
    sparse_mx = sparse_mx.tocoo().astype(np.float32)
    indices = torch.from_numpy(
        np.vstack((sparse_mx.row, sparse_mx.col)).astype(np.int64))
    values = torch.from_numpy(sparse_mx.data)
    shape = torch.Size(sparse_mx.shape)
    return torch.sparse.FloatTensor(indices, values, shape)
e_mx_to_torch_sparse_tensor(sparse_mx):
    """Convert a scipy sparse matrix to a torch sparse tensor."""
    sparse_mx = sparse_mx.tocoo().astype(np.float32)
    indices = torch.from_numpy(
        np.vstack((sparse_mx.row, sparse_mx.col)).astype(np.int64))
    values = torch.from_numpy(sparse_mx.data)
    shape = torch.Size(sparse_mx.shape)
    return torch.sparse.FloatTensor(indices, values, shape)