Graph Multi-Convolution and Attention Pooling for Graph Classification.

Yuhua Xu, Junli Wang, Mingjian Guang, Changjun Jiang
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Abstract

Many studies have achieved excellent performance in analyzing graph-structured data. However, learning graph-level representations for graph classification is still a challenging task. Existing graph classification methods usually pay less attention to the fusion of node features and ignore the effects of different-hop neighborhoods on nodes in the graph convolution process. Moreover, they discard some nodes directly during the graph pooling process, resulting in the loss of graph information. To tackle these issues, we propose a new Graph Multi-Convolution and Attention Pooling based graph classification method (GMCAP). Specifically, the designed Graph Multi-Convolution (GMConv) layer explicitly fuses node features learned from different perspectives. The proposed weight-based aggregation module combines the outputs of all GMConv layers, for adaptively exploiting the information over different-hop neighborhoods to generate informative node representations. Furthermore, the designed Local information and Global Attention based Pooling (LGAPool) utilizes the local information of a graph to select several important nodes and aggregates the information of unselected nodes to the selected ones by a global attention mechanism when reconstructing a pooled graph, thus effectively reducing the loss of graph information. Extensive experiments show that GMCAP outperforms the state-of-the-art methods on graph classification tasks, demonstrating that GMCAP can learn graph-level representations effectively.

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用于图分类的图多重卷积和注意力池。
许多研究在分析图结构数据方面取得了优异的成绩。然而,学习用于图分类的图级表示仍然是一项具有挑战性的任务。现有的图分类方法通常不太重视节点特征的融合,在图卷积过程中忽略了不同跳邻域对节点的影响。此外,它们在图池化过程中直接丢弃了一些节点,导致图信息丢失。针对这些问题,我们提出了一种新的基于图多重卷积和注意力池的图分类方法(GMCAP)。具体来说,所设计的图多重卷积(GMConv)层明确融合了从不同角度获得的节点特征。所提出的基于权重的聚合模块结合了所有 GMConv 层的输出,以便自适应地利用不同跳邻域的信息来生成信息丰富的节点表示。此外,所设计的基于局部信息和全局注意力的汇集(LGAPool)利用图的局部信息选择几个重要节点,并在重建汇集图时通过全局注意力机制将未选择节点的信息汇集到所选节点上,从而有效减少图信息的损失。大量实验表明,GMCAP 在图分类任务上的表现优于最先进的方法,证明 GMCAP 可以有效地学习图级表示。
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