Keywords: Graph Neural Network, Graph Classification, Graph Pooling, Graph Embedding
TL;DR: Addressing a serious shortcoming of the GNNs by making them aware of the role of the nodes in the structure of the graph and proposing a novel graph pooling method.
Abstract: The spatial convolution layer which is widely used in the Graph Neural Networks (GNNs) aggregates the feature vector of each node with the feature vectors of its neighboring nodes. The GNN is not aware of the locations of the nodes in the global structure of the graph and when the local structures corresponding to different nodes are similar to each other, the convolution layer maps all those nodes to similar or same feature vectors in the continuous feature space. Therefore, the GNN cannot distinguish two graphs if their difference is not in their local structures. In addition, when the nodes are not labeled/attributed the convolution layers can fail to distinguish even different local structures. In this paper, we propose an effective solution to address this problem of the GNNs. The proposed approach leverages a spatial representation of the graph which makes the neural network aware of the differences between the nodes and also their locations in the graph. The spatial representation which is equivalent to a point-cloud representation of the graph is obtained by a graph embedding method. Using the proposed approach, the local feature extractor of the GNN distinguishes similar local structures in different locations of the graph and the GNN infers the topological structure of the graph from the spatial distribution of the locally extracted feature vectors. Moreover, the spatial representation is utilized to simplify the graph down-sampling problem. A new graph pooling method is proposed and it is shown that the proposed pooling method achieves competitive or better results in comparison with the state-of-the-art methods.
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