图注意力模型GAT代码分析（Keras版）

本文分享一个对Keras版GAT源码的分析。
GAT原文：https://arxiv.org/abs/1710.10903，建议参考着知乎superbrother大神的文章进行理解。
TensorFlow版可以看：GitHub - PetarV-/GAT: Graph Attention Networks (https://arxiv.org/abs/1710.10903)
源代码 github：GitHub - danielegrattarola/keras-gat: Keras implementation of the graph attention networks (GAT) by Veličković et al. (2017; https://arxiv.org/abs/1710.10903)

1 utils.py

    utils.py定义数据的加载，预处理，与normalize adj矩阵

from __future__ import print_function

import os
import pickle as pkl
import sys

import networkx as nx
import numpy as np
import scipy.sparse as sp


def parse_index_file(filename):
    """Parse index file."""
    index = []
    for line in open(filename):
        index.append(int(line.strip()))
    return index


def sample_mask(idx, l):
    """Create mask."""
    mask = np.zeros(l)
    mask[idx] = 1
    return np.array(mask, dtype=np.bool)


def load_data(dataset_str):
    """Load data."""
    """
    Loads input data from gcn/data directory

    ind.dataset_str.x => the feature vectors of the training instances as scipy.sparse.csr.csr_matrix object;
    ind.dataset_str.tx => the feature vectors of the test instances as scipy.sparse.csr.csr_matrix object;
    ind.dataset_str.allx => the feature vectors of both labeled and unlabeled training instances
        (a superset of ind.dataset_str.x) as scipy.sparse.csr.csr_matrix object;
    ind.dataset_str.y => the one-hot labels of the labeled training instances as numpy.ndarray object;
    ind.dataset_str.ty => the one-hot labels of the test instances as numpy.ndarray object;
    ind.dataset_str.ally => the labels for instances in ind.dataset_str.allx as numpy.ndarray object;
    ind.dataset_str.graph => a dict in the format {index: [index_of_neighbor_nodes]} as collections.defaultdict
        object;
    ind.dataset_str.test.index => the indices of test instances in graph, for the inductive setting as list object.

    All objects above must be saved using python pickle module.

    :param dataset_str: Dataset name
    :return: All data input files loaded (as well the training/test data).
    """
    """
    从data文件中读取数据，文档中包含3组数据'cora', 'citeseer',与'pubmed'，每组数据有8种类型。
    'x'为训练数据的特征向量，
    'tx'为测试数据的特征向量，
    'allx','ally':整个graph上除test外的（包括train和val） 所有data的特征和便签,
    'y'为训练数据的标签,'ty'为测试数据的标签，
    'index'为测试数据的ID，
    'graph'为图数据。
    """
    #返回的是.py文件的绝对路径
    FILE_PATH = os.path.abspath(__file__)
    #返回的是.py文件的目录
    DIR_PATH = os.path.dirname(FILE_PATH)
    #到这里返回了data文件夹的绝对路径
    DATA_PATH = os.path.join(DIR_PATH, 'data/')

    names = ['x', 'y', 'tx', 'ty', 'allx', 'ally', 'graph']
    objects = []
    for i in range(len(names)):
        with open("{}ind.{}.{}".format(DATA_PATH, dataset_str, names[i]), 'rb') as f:
            if sys.version_info > (3, 0):
                objects.append(pkl.load(f, encoding='latin1'))
            else:
                objects.append(pkl.load(f))
    # x.shape:(140, 1433); y.shape:(140, 7);tx.shape:(1000, 1433);ty.shape:(1708, 1433);
    # allx.shape:(1708, 1433);ally.shape:(1708, 7)
    x, y, tx, ty, allx, ally, graph = tuple(objects)
    # 训练数据集
    # print(x[0][0],x.shape,type(x))  ##x是一个稀疏矩阵,记住1的位置,140个实例,每个实例的特征向量维度是1433  (140,1433)
    # print(y[0],y.shape)   ##y是标签向量,7分类，140个实例 (140,7)

    ##测试数据集
    # print(tx[0][0],tx.shape,type(tx))  ##tx是一个稀疏矩阵,1000个实例,每个实例的特征向量维度是1433  (1000,1433)
    # print(ty[0],ty.shape)   ##y是标签向量,7分类，1000个实例 (1000,7)

    ##allx,ally和上面的形式一致
    # print(allx[0][0],allx.shape,type(allx))  ##tx是一个稀疏矩阵,1708个实例,每个实例的特征向量维度是1433  (1708,1433)
    # print(ally[0],al