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  • 如何将tensorflow1.x代码改写为pytorch代码(以图注意力网络(GAT)为例)

    之前讲解了图注意力网络的官方tensorflow版的实现,由于自己更了解pytorch,所以打算将其改写为pytorch版本的。

    对于图注意力网络还不了解的可以先去看看tensorflow版本的代码,之前讲解的地址:

    非稀疏矩阵版:https://www.cnblogs.com/xiximayou/p/13622283.html

    稀疏矩阵版:https://www.cnblogs.com/xiximayou/p/13623989.html

    以下改写后的代码我已经上传到gihub上,地址为:

    https://github.com/taishan1994/pytorch_gat

    图注意力网络的官方代码使用的是tensorflow1.x版本的,地址为:

    https://github.com/Diego999/pyGAT

    下面开始进入正题了。

    1、tensorflow1.x的一般建模过程:

    • 定义好训练的数据
    • 定义计算图(包含占位)
    • 定义训练主函数、损失函数计算、优化器
    • 定义Session,参数初始化以及实际的前向传播和反向传播计算都是在Session中

    2、将tensorflow转换为pytorch代码

    其他数据处理的代码都是一致的,主要是一些需要改变的地方:

    2.1 数据的读取

    在tensorflow中,标签是要经过onehot编码的,而在pytorch中确是不用的,在load_data中:

    def load_data(dataset_str): # {'pubmed', 'citeseer', 'cora'}
        """Load data."""
        names = ['x', 'y', 'tx', 'ty', 'allx', 'ally', 'graph']
        objects = []
        for i in range(len(names)):
            with open("data/ind.{}.{}".format(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, y, tx, ty, allx, ally, graph = tuple(objects)
        test_idx_reorder = parse_index_file("data/ind.{}.test.index".format(dataset_str))
        test_idx_range = np.sort(test_idx_reorder)
    
        if dataset_str == 'citeseer':
            # Fix citeseer dataset (there are some isolated nodes in the graph)
            # Find isolated nodes, add them as zero-vecs into the right position
            test_idx_range_full = range(min(test_idx_reorder), max(test_idx_reorder)+1)
            tx_extended = sp.lil_matrix((len(test_idx_range_full), x.shape[1]))
            tx_extended[test_idx_range-min(test_idx_range), :] = tx
            tx = tx_extended
            ty_extended = np.zeros((len(test_idx_range_full), y.shape[1]))
            ty_extended[test_idx_range-min(test_idx_range), :] = ty
            ty = ty_extended
    
        features = sp.vstack((allx, tx)).tolil()
        features[test_idx_reorder, :] = features[test_idx_range, :]
        adj = nx.adjacency_matrix(nx.from_dict_of_lists(graph))
    
        labels = np.vstack((ally, ty))
        labels[test_idx_reorder, :] = labels[test_idx_range, :]
    
        #pytorch的标签不需要进行one-hot编码
        my_labels = np.where(labels==1)[1]
        idx_test = test_idx_range.tolist()
        idx_train = range(len(y))
        idx_val = range(len(y), len(y)+500)
    
        train_my_labels_mask = sample_mask(idx_train, my_labels.shape[0])
        val_my_labels_mask = sample_mask(idx_val, my_labels.shape[0])
        test_my_labels_mask = sample_mask(idx_test, my_labels.shape[0])
        train_my_labels = my_labels[train_my_labels_mask]
        val_my_labels = my_labels[val_my_labels_mask]
        test_my_labels = my_labels[test_my_labels_mask]
    
        train_mask = sample_mask(idx_train, labels.shape[0])
        val_mask = sample_mask(idx_val, labels.shape[0])
        test_mask = sample_mask(idx_test, labels.shape[0])
    
        y_train = np.zeros(labels.shape)
        y_val = np.zeros(labels.shape)
        y_test = np.zeros(labels.shape)
        y_train[train_mask, :] = labels[train_mask, :]
        y_val[val_mask, :] = labels[val_mask, :]
        y_test[test_mask, :] = labels[test_mask, :]
    
        print(adj.shape)
        print(features.shape)
        data_dict = {
          'adj': adj,
          'features': features,
          'y_train': y_train,
          'y_val': y_val,
          'y_test': y_test,
          'train_mask': train_mask,
          'val_mask': val_mask,
          'test_mask': test_mask,
          'train_my_labels': train_my_labels,
          'val_my_labels': val_my_labels,
          'test_my_labels': test_my_labels,
          'my_labels': my_labels
        }
        return data_dict

    我们要使用np.where()函数,将每一个ont-hot编码中值为1的索引(也就是标签)取出来,然后在对其进行划分训练标签、验证标签和测试标签。

    顺便提一下,当我们要返回的值很多的时候,可以用一个字典包装起来,最后返回该字典就行了,这符合python的编码规范。

    2.2 注意力层的搭建

    在tensorflow中:

    conv1d = tf.layers.conv1d
    
    def attn_head(seq, out_sz, bias_mat, activation, in_drop=0.0, coef_drop=0.0, residual=False):
        with tf.name_scope('my_attn'):
            if in_drop != 0.0:
                seq = tf.nn.dropout(seq, 1.0 - in_drop)
    
            seq_fts = tf.layers.conv1d(seq, out_sz, 1, use_bias=False)
    
            # simplest self-attention possible
            f_1 = tf.layers.conv1d(seq_fts, 1, 1)
            f_2 = tf.layers.conv1d(seq_fts, 1, 1)
            logits = f_1 + tf.transpose(f_2, [0, 2, 1])
            coefs = tf.nn.softmax(tf.nn.leaky_relu(logits) + bias_mat)
    
            if coef_drop != 0.0:
                coefs = tf.nn.dropout(coefs, 1.0 - coef_drop)
            if in_drop != 0.0:
                seq_fts = tf.nn.dropout(seq_fts, 1.0 - in_drop)
    
            vals = tf.matmul(coefs, seq_fts)
            ret = tf.contrib.layers.bias_add(vals)
    
            # residual connection
            if residual:
                if seq.shape[-1] != ret.shape[-1]:
                    ret = ret + conv1d(seq, ret.shape[-1], 1) # activation
                else:
                    ret = ret + seq
    
            return activation(ret)  # activation

    直接就可以使用相关api进行计算,但是在pytorch中,无论是定义自己的层还是模型,都需要先建立,然后再使用(一般是这样)。改写后的代码如下:

    import torch
    import torch.nn as nn
    
    class Attn_head(nn.Module):
      def __init__(self, 
            in_channel, 
            out_sz, 
            bias_mat, 
            in_drop=0.0, 
            coef_drop=0.0, 
            activation=None,
            residual=False):
        super(Attn_head, self).__init__() 
        self.in_channel = in_channel
        self.out_sz = out_sz 
        self.bias_mat = bias_mat
        self.in_drop = in_drop
        self.coef_drop = coef_drop
        self.activation = activation
        self.residual = residual
        
        self.conv1 = nn.Conv1d(self.in_channel, self.out_sz, 1)
        self.conv2_1 = nn.Conv1d(self.out_sz, 1, 1)
        self.conv2_2 = nn.Conv1d(self.out_sz, 1, 1)
        self.leakyrelu = nn.LeakyReLU()
        self.softmax = nn.Softmax(dim=1)
        #pytorch中dropout的参数p表示每个神经元一定概率失活
        self.in_dropout = nn.Dropout()
        self.coef_dropout = nn.Dropout()
        self.res_conv = nn.Conv1d(self.in_channel, self.out_sz, 1)
      
      def forward(self,x):
        seq = x
        if self.in_drop != 0.0:
          seq = self.in_dropout(x)
        seq_fts = self.conv1(seq)
        f_1 = self.conv2_1(seq_fts)
        f_2 = self.conv2_2(seq_fts)
        logits = f_1 + torch.transpose(f_2, 2, 1)
        logits = self.leakyrelu(logits)
        coefs = self.softmax(logits + self.bias_mat)
        if self.coef_drop !=0.0:
          coefs = self.coef_dropout(coefs)
        if self.in_dropout !=0.0:
          seq_fts = self.in_dropout(seq_fts)
        ret = torch.matmul(coefs, torch.transpose(seq_fts, 2, 1))
        ret = torch.transpose(ret, 2, 1)
        if self.residual:
          if seq.shape[1] != ret.shape[1]:
            ret = ret + self.res_conv(seq)
          else:
            ret = ret + seq
        return self.activation(ret)

    要继承nn.Module类,然后在__init__中初始化相关参数以及对应的层,在forward中进行前向传播计算。

    2.3 搭建模型

    有了注意力层之后,就可以搭建模型了,tensorflow的代码:

     def inference(inputs, nb_classes, nb_nodes, training, attn_drop, ffd_drop,
                bias_mat, hid_units, n_heads, activation=tf.nn.elu, residual=False):
            attns = []
            for _ in range(n_heads[0]):
                attns.append(layers.attn_head(inputs, bias_mat=bias_mat,
                    out_sz=hid_units[0], activation=activation,
                    in_drop=ffd_drop, coef_drop=attn_drop, residual=False))
            h_1 = tf.concat(attns, axis=-1)
            for i in range(1, len(hid_units)):
                h_old = h_1
                attns = []
                for _ in range(n_heads[i]):
                    attns.append(layers.attn_head(h_1, bias_mat=bias_mat,
                        out_sz=hid_units[i], activation=activation,
                        in_drop=ffd_drop, coef_drop=attn_drop, residual=residual))
                h_1 = tf.concat(attns, axis=-1)
            out = []
            for i in range(n_heads[-1]):
                out.append(layers.attn_head(h_1, bias_mat=bias_mat,
                    out_sz=nb_classes, activation=lambda x: x,
                    in_drop=ffd_drop, coef_drop=attn_drop, residual=False))
            logits = tf.add_n(out) / n_heads[-1]
        
            return logits

    改写之后的pytorch代码:

    import numpy as np
    import torch.nn as nn
    import torch
    from layer import *
    
    class GAT(nn.Module):
      def __init__(self,
          nb_classes, 
          nb_nodes, 
          attn_drop, 
          ffd_drop, 
          bias_mat, 
          hid_units, 
          n_heads, 
          residual=False):
        super(GAT, self).__init__()  
        self.nb_classes = nb_classes
        self.nb_nodes = nb_nodes
        self.attn_drop = attn_drop
        self.ffd_drop = ffd_drop
        self.bias_mat = bias_mat
        self.hid_units = hid_units
        self.n_heads = n_heads
        self.residual = residual
    
        self.attn1 = Attn_head(in_channel=1433, out_sz=self.hid_units[0],
                    bias_mat=self.bias_mat, in_drop=self.ffd_drop,
                    coef_drop=self.attn_drop, activation=nn.ELU(),
                    residual=self.residual)
        self.attn2 = Attn_head(in_channel=64, out_sz=self.nb_classes,
                    bias_mat=self.bias_mat, in_drop=self.ffd_drop,
                    coef_drop=self.attn_drop, activation=nn.ELU(),
                    residual=self.residual)
        self.softmax = nn.Softmax(dim=1)
      
      def forward(self, x):
        attns = []
        for _ in range(self.n_heads[0]):
          attns.append(self.attn1(x))
        h_1 = torch.cat(attns, dim=1)
        out = self.attn2(h_1)
        logits = torch.transpose(out.view(self.nb_classes,-1), 1, 0)
        logits = self.softmax(logits)
        return logits

    和tensorflow代码不同的是,这里我们仅仅定义了两层注意力。还需要注意的是,我们在__init__中定义相关层的时候,对于输入和输出的维度我们是要预先知道的,并填充进去,如果在forward中实际的值与预先定义的维度不同,那么就会报错。

    2.4 进行训练、验证和测试

    首先还是来看一下tensorflow是怎么定义的:

    with tf.Graph().as_default():
        with tf.name_scope('input'):
            ftr_in = tf.placeholder(dtype=tf.float32, shape=(batch_size, nb_nodes, ft_size))
            bias_in = tf.placeholder(dtype=tf.float32, shape=(batch_size, nb_nodes, nb_nodes))
            lbl_in = tf.placeholder(dtype=tf.int32, shape=(batch_size, nb_nodes, nb_classes))
            msk_in = tf.placeholder(dtype=tf.int32, shape=(batch_size, nb_nodes))
            attn_drop = tf.placeholder(dtype=tf.float32, shape=())
            ffd_drop = tf.placeholder(dtype=tf.float32, shape=())
            is_train = tf.placeholder(dtype=tf.bool, shape=())
    
        logits = model.inference(ftr_in, nb_classes, nb_nodes, is_train,
                                    attn_drop, ffd_drop,
                                    bias_mat=bias_in,
                                    hid_units=hid_units, n_heads=n_heads,
                                    residual=residual, activation=nonlinearity)
        log_resh = tf.reshape(logits, [-1, nb_classes])
        lab_resh = tf.reshape(lbl_in, [-1, nb_classes])
        msk_resh = tf.reshape(msk_in, [-1])
        loss = model.masked_softmax_cross_entropy(log_resh, lab_resh, msk_resh)
        accuracy = model.masked_accuracy(log_resh, lab_resh, msk_resh)
    
        train_op = model.training(loss, lr, l2_coef)
    
        saver = tf.train.Saver()
    
        init_op = tf.group(tf.global_variables_initializer(), tf.local_variables_initializer())
    
        vlss_mn = np.inf
        vacc_mx = 0.0
        curr_step = 0
    
        with tf.Session() as sess:
            sess.run(init_op)
    
            train_loss_avg = 0
            train_acc_avg = 0
            val_loss_avg = 0
            val_acc_avg = 0
    
            for epoch in range(nb_epochs):
                print("epoch: ",epoch)
                tr_step = 0
                tr_size = features.shape[0]
    
                while tr_step * batch_size < tr_size:
                    _, loss_value_tr, acc_tr = sess.run([train_op, loss, accuracy],
                        feed_dict={
                            ftr_in: features[tr_step*batch_size:(tr_step+1)*batch_size],
                            bias_in: biases[tr_step*batch_size:(tr_step+1)*batch_size],
                            lbl_in: y_train[tr_step*batch_size:(tr_step+1)*batch_size],
                            msk_in: train_mask[tr_step*batch_size:(tr_step+1)*batch_size],
                            is_train: True,
                            attn_drop: 0.6, ffd_drop: 0.6})
                    train_loss_avg += loss_value_tr
                    train_acc_avg += acc_tr
                    tr_step += 1
    
                vl_step = 0
                vl_size = features.shape[0]
    
                while vl_step * batch_size < vl_size:
                    loss_value_vl, acc_vl = sess.run([loss, accuracy],
                        feed_dict={
                            ftr_in: features[vl_step*batch_size:(vl_step+1)*batch_size],
                            bias_in: biases[vl_step*batch_size:(vl_step+1)*batch_size],
                            lbl_in: y_val[vl_step*batch_size:(vl_step+1)*batch_size],
                            msk_in: val_mask[vl_step*batch_size:(vl_step+1)*batch_size],
                            is_train: False,
                            attn_drop: 0.0, ffd_drop: 0.0})
                    val_loss_avg += loss_value_vl
                    val_acc_avg += acc_vl
                    vl_step += 1
    
                print('Training: loss = %.5f, acc = %.5f | Val: loss = %.5f, acc = %.5f' %
                        (train_loss_avg/tr_step, train_acc_avg/tr_step,
                        val_loss_avg/vl_step, val_acc_avg/vl_step))
    
                if val_acc_avg/vl_step >= vacc_mx or val_loss_avg/vl_step <= vlss_mn:
                    if val_acc_avg/vl_step >= vacc_mx and val_loss_avg/vl_step <= vlss_mn:
                        vacc_early_model = val_acc_avg/vl_step
                        vlss_early_model = val_loss_avg/vl_step
                        saver.save(sess, checkpt_file)
                    vacc_mx = np.max((val_acc_avg/vl_step, vacc_mx))
                    vlss_mn = np.min((val_loss_avg/vl_step, vlss_mn))
                    curr_step = 0
                else:
                    curr_step += 1
                    if curr_step == patience:
                        print('Early stop! Min loss: ', vlss_mn, ', Max accuracy: ', vacc_mx)
                        print('Early stop model validation loss: ', vlss_early_model, ', accuracy: ', vacc_early_model)
                        break
    
                train_loss_avg = 0
                train_acc_avg = 0
                val_loss_avg = 0
                val_acc_avg = 0
    
            saver.restore(sess, checkpt_file)
    
            ts_size = features.shape[0]
            ts_step = 0
            ts_loss = 0.0
            ts_acc = 0.0
    
            while ts_step * batch_size < ts_size:
                loss_value_ts, acc_ts = sess.run([loss, accuracy],
                    feed_dict={
                        ftr_in: features[ts_step*batch_size:(ts_step+1)*batch_size],
                        bias_in: biases[ts_step*batch_size:(ts_step+1)*batch_size],
                        lbl_in: y_test[ts_step*batch_size:(ts_step+1)*batch_size],
                        msk_in: test_mask[ts_step*batch_size:(ts_step+1)*batch_size],
                        is_train: False,
                        attn_drop: 0.0, ffd_drop: 0.0})
                ts_loss += loss_value_ts
                ts_acc += acc_ts
                ts_step += 1
    
            print('Test loss:', ts_loss/ts_step, '; Test accuracy:', ts_acc/ts_step)
    
            sess.close()

    就是建立图、然后在Session中执行。

    这里需要注意的是,features的维度是(2708,1433),无论是tensorflow还是pytorch,都需要对其扩充一个维度:(1,2708,1433),其余数据也同样。在计算损失的时候,网络输出的值的维度注意是:(2708,7),就没有了之前的那个维度了。在pytorch中,输入的形状和tensorflow也不大一样,它的输入是:(1,1433,2708),第二位是特征的维度,第三位才是节点的数目,这是和tensorflow主要的区别之一。

    接下来看下pytorch中是怎么做的:

    import torch 
    import torch.nn as nn
    import torch.optim as optim
    import numpy as np
    from utils import *
    from model import *
    
    np.random.seed(1)
    torch.manual_seed(1)
    torch.cuda.manual_seed_all(1)
    
    torch.backends.cudnn.deterministic = True
    torch.backends.cudnn.benchmark = True
    
    device = torch.device("cuda" if torch.cuda.is_available() else "cpu")
    
    data = load_data("cora")
    adj = data['adj']
    features = data['features']
    y_train = data['y_train']
    y_val = data['y_val']
    y_test = data['y_test']
    train_mask = data['train_mask']
    val_mask = data['val_mask']
    test_mask = data['test_mask']
    train_my_labels = data['train_my_labels']
    val_my_labels = data['val_my_labels']
    test_my_labels = data['test_my_labels']
    my_labels = data['my_labels']
    
    features, spars = preprocess_features(features)
    
    #节点数目
    nb_nodes = features.shape[0]
    #特征维度
    ft_sizes = features.shape[1]
    #类别数目
    nb_classes = my_labels.shape[0]
    
    #将邻接矩阵的稀疏形式转换为原始矩阵
    adj = adj.todense()
    
    #新增加一个维度
    adj = adj[np.newaxis]
    features = features[np.newaxis]
    y_train = y_train[np.newaxis]
    y_val = y_val[np.newaxis]
    y_test = y_test[np.newaxis]
    #train_mask = train_mask[np.newaxis]
    #val_mask = val_mask[np.newaxis]
    #test_mask = test_mask[np.newaxis]
    
    biases = torch.from_numpy(adj_to_bias(adj, [nb_nodes], nhood=1)).float().to(device)
    
    features = torch.from_numpy(features)
    #pytorch输入的特征:[batch, features,nodes],第二位是特征维度
    #而tensorflow的输入是:[batch, nodes, features]
    features = torch.transpose(features,2,1).to(device)
    
    #定义相关变量
    hid_units=[8]
    n_heads=[8, 1]
    epochs = 5000
    lr = 0.01
    
    #定义模型
    gat = GAT(nb_classes=nb_classes,
          nb_nodes=nb_nodes, 
          attn_drop=0.0, 
          ffd_drop=0.0, 
          bias_mat=biases, 
          hid_units=hid_units, 
          n_heads=n_heads, 
          residual=False).to(device)
    
    criterion = nn.CrossEntropyLoss()
    optimizer = optim.Adam(params=gat.parameters(),lr=lr,betas=(0.9, 0.99))
    
    
    #y_train = torch.from_numpy(np.where(y_train==1)[2])
    #y_val = torch.from_numpy(np.where(y_val==1)[2])
    #y_test = torch.from_numpy(np.where(y_test==1)[2])
    train_my_labels = torch.from_numpy(train_my_labels).long().to(device)
    val_my_labels = torch.from_numpy(val_my_labels).long().to(device)
    test_my_labels = torch.from_numpy(test_my_labels).long().to(device)
    
    train_mask = np.where(train_mask == 1)[0]
    val_mask = np.where(val_mask == 1)[0]
    test_mask = np.where(test_mask == 1)[0]
    train_mask = torch.from_numpy(train_mask).to(device)
    val_mask = torch.from_numpy(val_mask).to(device)
    test_mask = torch.from_numpy(test_mask).to(device)
    
    print("训练节点个数:", len(train_my_labels))
    print("验证节点个数:", len(val_my_labels))
    print("测试节点个数:", len(test_my_labels))
    
    
    
    def train():
      gat.train()
      correct = 0
      optimizer.zero_grad()
      outputs = gat(features)
      train_mask_outputs = torch.index_select(outputs, 0, train_mask)
      #print("train_mask_outputs.shape:",train_mask_outputs.shape)
      #print("train_my_labels.shape[0]:",train_my_labels.shape[0])
      _, preds =torch.max(train_mask_outputs.data, 1)
      loss = criterion(train_mask_outputs, train_my_labels)
      loss.backward()
      optimizer.step()
      correct += torch.sum(preds == train_my_labels).to(torch.float32)
      acc = correct / train_my_labels.shape[0]
      return loss,acc
    
    
    def val():
      gat.eval()
      with torch.no_grad():
        correct = 0
        outputs = gat(features)
        val_mask_outputs = torch.index_select(outputs, 0, val_mask)
        #print("val_mask_outputs.shape:",val_mask_outputs.shape)
        #print("val_my_labels.shape[0]:",val_my_labels.shape[0])
        _, preds =torch.max(val_mask_outputs.data, 1)
        loss = criterion(val_mask_outputs, val_my_labels)
        correct += torch.sum(preds == val_my_labels).to(torch.float32)
        acc = correct / val_my_labels.shape[0]
      return loss,acc
    
    def test():
      gat.eval()
      with torch.no_grad():
        correct = 0
        outputs = gat(features)
        test_mask_outputs = torch.index_select(outputs, 0, test_mask)
        #print("test_mask_outputs.shape:",test_mask_outputs.shape)
        #print("val_my_labels.shape[0]:",val_my_labels.shape[0])
        _, preds =torch.max(test_mask_outputs.data, 1)
        loss = criterion(test_mask_outputs, test_my_labels)
        correct += torch.sum(preds == test_my_labels).to(torch.float32)
        acc = correct / test_my_labels.shape[0]
        print("TestLoss:{:.4f},TestAcc:{:.4f}".format(loss,acc))
      return loss,acc,test_mask_outputs.cpu().numpy(),test_my_labels.cpu().numpy()
    
    from sklearn.manifold import TSNE
    import matplotlib.pyplot as plt
    
    def main():
      train_loss_history = []
      val_loss_history = []
      train_acc_history = []
      val_acc_history = []
      for epoch in range(1,epochs+1):
        train_loss,train_acc = train()
        val_loss,val_acc = val()
        print("epoch:{:03d},TrainLoss:{:.4f},TrainAcc:{:.4f},ValLoss:{:.4f},ValAcc:{:.4f}"
            .format(epoch,train_loss,train_acc,val_loss,val_acc))
        train_loss_history.append(train_loss)
        train_acc_history.append(train_acc)
        val_loss_history.append(val_loss)
        val_acc_history.append(val_acc)
      num_epochs = range(1, epochs + 1)
      plt.plot(num_epochs, train_loss_history, 'b--')
      plt.plot(num_epochs, val_loss_history, 'r-')
      plt.title('Training and validation Loss ')
      plt.xlabel("Epochs")
      plt.ylabel("Loss")
      plt.legend(["train_loss", 'val_loss'])
      plt.savefig("loss.png")
      plt.close()
    
      plt.plot(num_epochs, train_acc_history, 'b--')
      plt.plot(num_epochs, val_acc_history, 'r-')
      plt.title('Training and validation Acc ')
      plt.xlabel("Epochs")
      plt.ylabel("Acc")
      plt.legend(['train_acc','val_acc'])
      plt.savefig("acc.png")
      plt.close()
    
      _, _, test_data, test_labels = test()
      tsne = TSNE(perplexity=30, n_components=2, init='pca', n_iter=5000) # TSNE降维,降到2
      low_dim_embs = tsne.fit_transform(test_data)
      plt.title('tsne result')
      plt.scatter(low_dim_embs[:,0], low_dim_embs[:,1], marker='o', c=test_labels)
      plt.savefig("tsne.png")
      plt.close()
    
    main()

    大体上还是很简单明了的,这里还是的注意一个问题。在pytorch中,我们首使用网络对整个图进行计算,但是我们只更新根据mask所得的节点的参数,如果直接是使用outputs[train_mask],这样是不行的,pytroch的张量是不支持根据布尔值来进行分割的,如果我们将里面的True和False转换为1和0,虽然不会报错,但是就根本没有作用,因此在一开始,我们就要找到哪些节点是需要被训练的,取得其索引值,然后使用torch.index_select()进行切割。

    最后绘制了损失函数和准确率随epoch的变化情况以及降维之后测试数据的分布情况。

    3、结果

    官方实现:

    Dataset: cora
    ----- Opt. hyperparams -----
    lr: 0.005
    l2_coef: 0.0005
    ----- Archi. hyperparams -----
    nb. layers: 1
    nb. units per layer: [8]
    nb. attention heads: [8, 1]
    residual: False
    nonlinearity: <function elu at 0x7f1b7507af28>
    model: <class 'models.gat.GAT'>
    (2708, 2708)
    (2708, 1433)
    
    epoch:  1
    Training: loss = 1.94574, acc = 0.14286 | Val: loss = 1.93655, acc = 0.13600
    epoch:  2
    Training: loss = 1.94598, acc = 0.15714 | Val: loss = 1.93377, acc = 0.14800
    epoch:  3
    Training: loss = 1.94945, acc = 0.14286 | Val: loss = 1.93257, acc = 0.19600
    epoch:  4
    Training: loss = 1.93438, acc = 0.24286 | Val: loss = 1.93172, acc = 0.22800
    epoch:  5
    Training: loss = 1.93199, acc = 0.17143 | Val: loss = 1.93013, acc = 0.36400
    。。。。。。
    epoch:  674
    Training: loss = 1.23833, acc = 0.49286 | Val: loss = 1.01357, acc = 0.81200
    Early stop! Min loss:  1.010906457901001 , Max accuracy:  0.8219999074935913
    Early stop model validation loss:  1.3742048740386963 , accuracy:  0.8219999074935913
    Test loss: 1.3630210161209106 ; Test accuracy: 0.8219999074935913

    自己的pytorch实现:

    (2708, 2708)
    (2708, 1433)
    训练节点个数: 140
    验证节点个数: 500
    测试节点个数: 1000
    epoch:001,TrainLoss:7.9040,TrainAcc:0.0000,ValLoss:7.9040,ValAcc:0.0000
    epoch:002,TrainLoss:7.9040,TrainAcc:0.0000,ValLoss:7.9039,ValAcc:0.1920
    epoch:003,TrainLoss:7.9039,TrainAcc:0.0714,ValLoss:7.9039,ValAcc:0.1600
    epoch:004,TrainLoss:7.9038,TrainAcc:0.1000,ValLoss:7.9039,ValAcc:0.1020
    。。。。。。
    epoch:2396,TrainLoss:7.0191,TrainAcc:0.8929,ValLoss:7.4967,ValAcc:0.7440
    epoch:2397,TrainLoss:7.0400,TrainAcc:0.8786,ValLoss:7.4969,ValAcc:0.7580
    epoch:2398,TrainLoss:7.0188,TrainAcc:0.8929,ValLoss:7.4974,ValAcc:0.7580
    epoch:2399,TrainLoss:7.0045,TrainAcc:0.9071,ValLoss:7.4983,ValAcc:0.7620
    epoch:2400,TrainLoss:7.0402,TrainAcc:0.8714,ValLoss:7.4994,ValAcc:0.7620
    TestLoss:7.4805,TestAcc:0.7700

    可能实现的和原始tensorflow版本的还有一些差别,自己实现的只有0.77。还有点奇怪的地方是loss比官方的大好多。。。

    4、总结

    关于tensorflow代码转pytorch需要注意的一些地方:

    (1)输入的数据不同,比如特征,tensorflow是(1,2708,1433),pytorch的是(1,1433,2708)。

    (2)标签的编码方式不同,tensorflow是onehot编码,比如[[0,0,1],[1,0,0],[0,1,0]],pytorch就是原始的类[2,0,1]。

    (3)构建模型的方式不同,tensorflow直接使用,pytorch要继承nn.Module,然后在__init__建立层,在forward中进行计算。

    (4)训练验证测试的不同,tensorflow要先构建计算图,然后在Session中执行计算,也就是静态图,pytorch是动态图,没有显示的定义计算图。

    (5)相关的接口也不同,这是自然而然的,毕竟都有着自己的设计理念,比如tf.concat()对应torch.cat(),即使名字相同的两个类,使用的方法也可能是不同的。

    总而言之,动手是最重要的。

    如果哪里有问题,还请指出。

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  • 原文地址:https://www.cnblogs.com/xiximayou/p/13659274.html
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