图形神经网络

1.什么是图形神经网络

百度百科
图网络(Graph Network, GN)是在拓扑空间(topological space)内按图(graph)结构组织以进行关系推理(relational reasoning)的函数集合。在深度学习理论中是图神经网络( graph neural network, GNN)和概率图模型(Probabilistic Graphical Model, PGM)的推广 。
图网络由图网络块(GN block)构成,具有灵活的拓扑结构,可以特化为各类连接主义(connectionist)模型,包括前馈神经网络(Feedforward Neural Network)、递归神经网络(Recursive Neural Network)等 。更一般的图网络适用于处理具有图结构的数据,例如知识图谱、社交网络、分子网络等。

2.理解

没找到《Relational inductive biases, deep learning, and graph networks》这篇论文,下载速度太慢了,但是找到一篇博客,写的是对这篇论文的理解,还挺详细,图网络模型原理详解。图网络的节点和边的关系构造和c语言的链表有些像。

3.相关论文

  1. Peter W. Battaglia Jessica B.Relational inductive biases, deep learning, and graph networks. arXiv:1806.01261(对图网络的综述)
  2. A Sanchez-Gonzalez,N Heess.Graph networks as learnable physics engines for inference and control.arXiv:1806.01
  3. David I Shuman, Sunil K. Narang .The emerging field of signal processing on graphs: Extending high-dimensional data analysis to networks and other irregular domains.IEEE Signal Processing Magazine ( Volume: 30 , Issue: 3 , May 2013 )
  4. Michaël Defferrard,XavierBresson.Pierre Vandergheynst,Convolutional Neural Networks on Graphs with Fast Localized Spectral Filtering.Advances in Neural Information Processing Systems 29 (NIPS 2016)
  5. Thomas N. Kipf, Max Welling .Semi-Supervised Classification with Graph Convolutional Networks.arXiv:1609.02907
  6. P Velickovic, G Cucurull, A Casanova.Graph attention networks
  7. Alexandre Alahi, Kratarth Goel.Social LSTM: Human Trajectory Prediction in Crowded Spaces.The IEEE Conference on Computer Vision and Pattern Recognition (CVPR), 2016, pp. 961-971
  8. KiJung Yoon, Renjie Liao.Inference in Probabilistic Graphical Models by Graph Neural Networks.arXiv:1803.07710
  9. Irwan Bello, Hieu Pham.Neural Combinatorial Optimization with Reinforcement Learning. arXiv:1611.09940
  10. Eric Jang, Shixiang Gu, Ben Poole .Categorical Reparameterization with Gumbel-Softmax.arXiv:1611.01144
  11. Aleksandar Bojchevski, Oleksandr Shchur.NetGAN: Generating Graphs via Random Walks.arXiv:1803.00816
  12. Daniel D. Johnson.Learning Graphical State Transitions
  13. Ashish Vaswani,Noam Shazeer.Attention is All you Need. Advances in Neural Information Processing Systems 30 (NIPS 2017)

4.在视频中看到的(待完善)

1.图网络的可微分性
2. 图网络进行卷积操作
3. network embedding
4.由局部到整体

# GPF ## 一、GPF(Graph Processing Flow):利用图神经网络处理问题的一般化流程 1、图节点预表示:利用NE框架,直接获得全图每个节点的Embedding; 2、正负样本采样:(1)单节点样本;(2)节点对样本; 3、抽取封闭子图:可做类化处理,建立一种通用图数据结构; 4、子图特征融合:预表示、节点特征、全局特征、边特征; 5、网络配置:可以是图输入、图输出的网络;也可以是图输入,分类/聚类结果输出的网络; 6、训练和测试; ## 二、主要文件: 1、graph.py:读入图数据; 2、embeddings.py:预表示学习; 3、sample.py:采样; 4、subgraphs.py/s2vGraph.py:抽取子图; 5、batchgraph.py:子图特征融合; 6、classifier.py:网络配置; 7、parameters.py/until.py:参数配置/帮助文件; ## 三、使用 1、在parameters.py中配置相关参数(可默认); 2、在example/文件夹中运行相应的案例文件--包括链接预测、节点状态预测; 以链接预测为例: ### 1、导入配置参数 ```from parameters import parser, cmd_embed, cmd_opt``` ### 2、参数转换 ``` args = parser.parse_args() args.cuda = not args.noCuda and torch.cuda.is_available() torch.manual_seed(args.seed) if args.cuda: torch.cuda.manual_seed(args.seed) if args.hop != 'auto': args.hop = int(args.hop) if args.maxNodesPerHop is not None: args.maxNodesPerHop = int(args.maxNodesPerHop) ``` ### 3、读取数据 ``` g = graph.Graph() g.read_edgelist(filename=args.dataName, weighted=args.weighted, directed=args.directed) g.read_node_status(filename=args.labelName) ``` ### 4、获取全图节点的Embedding ``` embed_args = cmd_embed.parse_args() embeddings = embeddings.learn_embeddings(g, embed_args) node_information = embeddings #print node_information ``` ### 5、正负节点采样 ``` train, train_status, test, test_status = sample.sample_single(g, args.testRatio, max_train_num=args.maxTrainNum) ``` ### 6、抽取节点对的封闭子图 ``` net = until.nxG_to_mat(g) #print net train_graphs, test_graphs, max_n_label = subgraphs.singleSubgraphs(net, train, train_status, test, test_status, args.hop, args.maxNodesPerHop, node_information) print('# train: %d, # test: %d' % (len(train_graphs), len(test_graphs))) ``` ### 7、加载网络模型,并在classifier中配置相关参数 ``` cmd_args = cmd_opt.parse_args() cmd_args.feat_dim = max_n_label + 1 cmd_args.attr_dim = node_information.shape[1] cmd_args.latent_dim = [int(x) for x in cmd_args.latent_dim.split('-')] if len(cmd_args.latent_dim) == 1: cmd_args.latent_dim = cmd_args.latent_dim[0] model = classifier.Classifier(cmd_args) optimizer = optim.Adam(model.parameters(), lr=args.learningRate) ``` ### 8、训练和测试 ``` train_idxes = list(range(len(train_graphs))) best_loss = None for epoch in range(args.num_epochs): random.shuffle(train_idxes) model.train() avg_loss = loop_dataset(train_graphs, model, train_idxes, cmd_args.batch_size, optimizer=optimizer) print('\033[92maverage training of epoch %d: loss %.5f acc %.5f auc %.5f\033[0m' % (epoch, avg_loss[0], avg_loss[1], avg_loss[2])) model.eval() test_loss = loop_dataset(test_graphs, model, list(range(len(test_graphs))), cmd_args.batch_size) print('\033[93maverage test of epoch %d: loss %.5f acc %.5f auc %.5f\033[0m' % (epoch, test_loss[0], test_loss[1], test_loss[2])) ``` ### 9、运行结果 ``` average test of epoch 0: loss 0.62392 acc 0.71462 auc 0.72314 loss: 0.51711 acc: 0.80000: 100%|███████████████████████████████████| 76/76 [00:07<00:00, 10.09batch/s] average training of epoch 1: loss 0.54414 acc 0.76895 auc 0.77751 loss: 0.37699 acc: 0.79167: 100%|█████████████████████████████████████| 9/9 [00:00<00:00, 34.07batch/s] average test of epoch 1: loss 0.51981 acc 0.78538 auc 0.79709 loss: 0.43700 acc: 0.84000: 100%|███████████████████████████████████| 76/76 [00:07<00:00, 9.64batch/s] average training of epoch 2: loss 0.49896 acc 0.79184 auc 0.82246 loss: 0.63594 acc: 0.66667: 100%|█████████████████████████████████████| 9/9 [00:00<00:00, 28.62batch/s] average test of epoch 2: loss 0.48979 acc 0.79481 auc 0.83416 loss: 0.57502 acc: 0.76000: 100%|███████████████████████████████████| 76/76 [00:07<00:00, 9.70batch/s] average training of epoch 3: loss 0.50005 acc 0.77447 auc 0.79622 loss: 0.38903 acc: 0.75000: 100%|█████████████████████████████████████| 9/9 [00:00<00:00, 34.03batch/s] average test of epoch 3: loss 0.41463 acc 0.81132 auc 0.86523 loss: 0.54336 acc: 0.76000: 100%|███████████████████████████████████| 76/76 [00:07<00:00, 9.57batch/s] average training of epoch 4: loss 0.44815 acc 0.81711 auc 0.84530 loss: 0.44784 acc: 0.70833: 100%|█████████████████████████████████████| 9/9 [00:00<00:00, 28.62batch/s] average test of epoch 4: loss 0.48319 acc 0.81368 auc 0.84454 loss: 0.36999 acc: 0.88000: 100%|███████████████████████████████████| 76/76 [00:07<00:00, 10.17batch/s] average training of epoch 5: loss 0.39647 acc 0.84184 auc 0.89236 loss: 0.15548 acc: 0.95833: 100%|█████████████████████████████████████| 9/9 [00:00<00:00, 28.62batch/s] average test of epoch 5: loss 0.30881 acc 0.89623 auc 0.95132 ```
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