论文信息

论文标题:Graph U-Nets
论文作者:Hongyang Gao, Shuiwang Ji
论文来源:2019,ICML
论文地址:download 
论文代码:download

1 Introduction

  subject to similar encoder-decoder architecture 的 U-Nets 影响,The authors hope to use this on graph data pooling 和 up-sampling 的操作.

  Note:Encoder Usually dimensionality reduction,可以看成 pooling ;而 Decoder Usually ascending,可以看成 up-sampling 操作.

2 Graph U-Nets

  This section introduces them in turn graph pooling (gPool) layer, graph unpooling (gUnpool) layer,Then introduce what this paper uses for node classification U-Nets .

2.1 Graph Pooling Layer

  global pooling The operation will reduce all nodes to one node,This limits the flexibility of the network.k-max pooling The operation output graph may come from different nodes $k$ the largest unit,Causes inconsistent connectivity of selected nodes.

  This paper proposes to use projection vectors  $\mathbf{p}$  to calculate the importance of each node in the graph,并且  $\mathbf{p}$  是可训练的参数,No need to think specified.Suppose the node's embedding vector is   $\mathbf{x}_{\mathrm{i}}$ , It's in vector  $\mathbf{p}$  上的投影为  $\mathrm{y}_{\mathrm{i}}=\mathbf{x}_{\mathrm{i}} \mathbf{p} /\|\mathbf{p}\|$, $\mathrm{y}_{\mathrm{i}}$  Can be used as a measure of the importance of nodes.

  $\mathrm{gPool}$ 计算过程为:

    $\begin{array}{l}\mathbf{y} &=&X^{\ell} \mathbf{p}^{\ell} /\left\|\mathbf{p}^{\ell}\right\| \\\mathrm{idx} &=&\operatorname{rank}(\mathbf{y}, k) \\\tilde{\mathbf{y}} &=&\operatorname{sigmoid}(\mathbf{y}(\mathrm{idx})) \\\tilde{X}^{\ell} &=&X^{\ell}(\mathrm{idx},:) \\A^{\ell+1} &=&A^{\ell}(\mathrm{idx}, \mathrm{idx}) \\X^{\ell+1} &=&\tilde{X}^{\ell} \odot\left(\tilde{\mathbf{y}} \mathbf{1}_{C}^{T}\right)\end{array}$

  图示如下:

  

2.2 Graph Unpooling Layer

  For implementation on graph data up-sampling 操作,本文提出 graph unpooling (gUnpool) layer.

  

  在形式上,gUnpool The level propagation rule for :

    $X^{\ell+1}=\operatorname{distribute}\left(0_{N \times C}, X^{\ell}, \mathrm{idx}\right)$

  其中,

    • $idx \in \mathbb{Z}^{* k}$ included in the corresponding gPool The index of the selected node in the layer,Thus changing the size of the graph from $N$ nodes are reduced to $k$ 个节点;
    • $X^{\ell} \in \mathbb{R}^{k \times C}$ is the feature matrix of the current graph;
    • $0_{N \times C}$ is new 0 The filled feature matrix;

  Note:在 $X^{\ell+1}$ 中,$idx$ A row vector with indices in $X^{\ell}$ Row vector update in ,while the other row vectors remain zero.

2.3 Graph U-Nets Architecture

  如图所示:

  

2.4 Graph Connectivity Augmentation via Graph Power

  在 gPool 层中,Sample some important nodes,Form a new feature encoding map.Due to deletion gPool The associated edge is removed when the node in ,所以 pooled graph isolated spots may be formed.May affect the propagation of information in subsequent layers,特别是当使用 GCN layer to aggregate information from neighboring nodes.所以需要增加 pooled graph connectivity between nodes.

  为了解决上述问题,使用第 $k$ power of a graph $\mathbb{G}^{k}$ to increase the connectivity of the graph.文中使用 $k = 2$ ,Replace in the calculation process $A^{\ell+1}$:

    $A^{2}=A^{\ell} A^{\ell}, \quad A^{\ell+1}=A^{2}(\mathrm{idx}, \mathrm{idx})$

2.5 Improved GCN Layer

  在  $\mathrm{GCN}$  in the adjacency matrix  $\hat{\mathrm{A}}=\mathrm{A}+\mathrm{I}$ , Changed in the paper  $\hat{\mathrm{A}}=\mathrm{A}+2 \mathrm{I}$,Give greater weight to the central node.

3 Experimental Study

数据集

  

  

节点分类

  

图分类

  

4 Conclusion

  在这项工作中,我们提出了g-U-Netsnew in the network gPool 和 gUnpool Layers are used for network embedding.gPool Layers implement global rules for graph data k-max 池化操作.It samples a subset of important nodes,To achieve advanced feature encoding and receptive field enlargement.By using a trainable projection vector,gPoolA layer samples nodes based on their scalar projected values.此外,We propose to apply non-pooling operations to graph datagUnpool层.Use the location information of the nodes in the original graph,gUnpool layers are paired accordingly gPool The layers do the inverse operation,Restore the structure of the original image.基于我们的 gPool 和 gUnpool 层,我们提出了图 U-Nets(gU-Nets) 结构,It is used with regular on image dataU-Netsimilar encoding-解码器结构.实验结果表明,与其他gnn相比,我们的g-u-netImproved performance is achieved on transfer learning tasks.In order to avoid the problem of isolated nodes that may exist in the sampling graph,We adopt the second graph power to improve the connectivity of the graph.Research on ablation has demonstrated these contributions

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