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Complete the Missing Half: Augmenting Aggregation Filtering with Diversification for Graph Convolutional Networks

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 Added by Sitao Luan
 Publication date 2020
and research's language is English




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The core operation of current Graph Neural Networks (GNNs) is the aggregation enabled by the graph Laplacian or message passing, which filters the neighborhood node information. Though effective for various tasks, in this paper, we show that they are potentially a problematic factor underlying all GNN methods for learning on certain datasets, as they force the node representations similar, making the nodes gradually lose their identity and become indistinguishable. Hence, we augment the aggregation operations with their dual, i.e. diversification operators that make the node more distinct and preserve the identity. Such augmentation replaces the aggregation with a two-channel filtering process that, in theory, is beneficial for enriching the node representations. In practice, the proposed two-channel filters can be easily patched on existing GNN methods with diverse training strategies, including spectral and spatial (message passing) methods. In the experiments, we observe desired characteristics of the models and significant performance boost upon the baselines on 9 node classification tasks.



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Graph convolutional networks are becoming indispensable for deep learning from graph-structured data. Most of the existing graph convolutional networks share two big shortcomings. First, they are essentially low-pass filters, thus the potentially useful middle and high frequency band of graph signals are ignored. Second, the bandwidth of existing graph convolutional filters is fixed. Parameters of a graph convolutional filter only transform the graph inputs without changing the curvature of a graph convolutional filter function. In reality, we are uncertain about whether we should retain or cut off the frequency at a certain point unless we have expert domain knowledge. In this paper, we propose Automatic Graph Convolutional Networks (AutoGCN) to capture the full spectrum of graph signals and automatically update the bandwidth of graph convolutional filters. While it is based on graph spectral theory, our AutoGCN is also localized in space and has a spatial form. Experimental results show that AutoGCN achieves significant improvement over baseline methods which only work as low-pass filters.
Graph Convolutional Network (GCN) has experienced great success in graph analysis tasks. It works by smoothing the node features across the graph. The current GCN models overwhelmingly assume that the node feature information is complete. However, real-world graph data are often incomplete and containing missing features. Traditionally, people have to estimate and fill in the unknown features based on imputation techniques and then apply GCN. However, the process of feature filling and graph learning are separated, resulting in degraded and unstable performance. This problem becomes more serious when a large number of features are missing. We propose an approach that adapts GCN to graphs containing missing features. In contrast to traditional strategy, our approach integrates the processing of missing features and graph learning within the same neural network architecture. Our idea is to represent the missing data by Gaussian Mixture Model (GMM) and calculate the expected activation of neurons in the first hidden layer of GCN, while keeping the other layers of the network unchanged. This enables us to learn the GMM parameters and network weight parameters in an end-to-end manner. Notably, our approach does not increase the computational complexity of GCN and it is consistent with GCN when the features are complete. We demonstrate through extensive experiments that our approach significantly outperforms the imputation-based methods in node classification and link prediction tasks. We show that the performance of our approach for the case with a low level of missing features is even superior to GCN for the case with complete features.
Recent studies on Graph Convolutional Networks (GCNs) reveal that the initial node representations (i.e., the node representations before the first-time graph convolution) largely affect the final model performance. However, when learning the initial representation for a node, most existing work linearly combines the embeddings of node features, without considering the interactions among the features (or feature embeddings). We argue that when the node features are categorical, e.g., in many real-world applications like user profiling and recommender system, feature interactions usually carry important signals for predictive analytics. Ignoring them will result in suboptimal initial node representation and thus weaken the effectiveness of the follow-up graph convolution. In this paper, we propose a new GCN model named CatGCN, which is tailored for graph learning when the node features are categorical. Specifically, we integrate two ways of explicit interaction modeling into the learning of initial node representation, i.e., local interaction modeling on each pair of node features and global interaction modeling on an artificial feature graph. We then refine the enhanced initial node representations with the neighborhood aggregation-based graph convolution. We train CatGCN in an end-to-end fashion and demonstrate it on semi-supervised node classification. Extensive experiments on three tasks of user profiling (the prediction of user age, city, and purchase level) from Tencent and Alibaba datasets validate the effectiveness of CatGCN, especially the positive effect of performing feature interaction modeling before graph convolution.
Graph convolutional neural networks (GCNs) embed nodes in a graph into Euclidean space, which has been shown to incur a large distortion when embedding real-world graphs with scale-free or hierarchical structure. Hyperbolic geometry offers an exciting alternative, as it enables embeddings with much smaller distortion. However, extending GCNs to hyperbolic geometry presents several unique challenges because it is not clear how to define neural network operations, such as feature transformation and aggregation, in hyperbolic space. Furthermore, since input features are often Euclidean, it is unclear how to transform the features into hyperbolic embeddings with the right amount of curvature. Here we propose Hyperbolic Graph Convolutional Neural Network (HGCN), the first inductive hyperbolic GCN that leverages both the expressiveness of GCNs and hyperbolic geometry to learn inductive node representations for hierarchical and scale-free graphs. We derive GCN operations in the hyperboloid model of hyperbolic space and map Euclidean input features to embeddings in hyperbolic spaces with different trainable curvature at each layer. Experiments demonstrate that HGCN learns embeddings that preserve hierarchical structure, and leads to improved performance when compared to Euclidean analogs, even with very low dimensional embeddings: compared to state-of-the-art GCNs, HGCN achieves an error reduction of up to 63.1% in ROC AUC for link prediction and of up to 47.5% in F1 score for node classification, also improving state-of-the art on the Pubmed dataset.
Increasing the depth of GCN, which is expected to permit more expressivity, is shown to incur performance detriment especially on node classification. The main cause of this lies in over-smoothing. The over-smoothing issue drives the output of GCN towards a space that contains limited distinguished information among nodes, leading to poor expressivity. Several works on refining the architecture of deep GCN have been proposed, but it is still unknown in theory whether or not these refinements are able to relieve over-smoothing. In this paper, we first theoretically analyze how general GCNs act with the increase in depth, including generic GCN, GCN with bias, ResGCN, and APPNP. We find that all these models are characterized by a universal process: all nodes converging to a cuboid. Upon this theorem, we propose DropEdge to alleviate over-smoothing by randomly removing a certain number of edges at each training epoch. Theoretically, DropEdge either reduces the convergence speed of over-smoothing or relieves the information loss caused by dimension collapse. Experimental evaluations on simulated dataset have visualized the difference in over-smoothing between different GCNs. Moreover, extensive experiments on several real benchmarks support that DropEdge consistently improves the performance on a variety of both shallow and deep GCNs.

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