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Increase and Conquer: Training Graph Neural Networks on Growing Graphs

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 Added by Juan Cervino
 Publication date 2021
and research's language is English




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Graph neural networks (GNNs) use graph convolutions to exploit network invariances and learn meaningful features from network data. However, on large-scale graphs convolutions incur in high computational cost, leading to scalability limitations. Leveraging the graphon -- the limit object of a graph -- in this paper we consider the problem of learning a graphon neural network (WNN) -- the limit object of a GNN -- by training GNNs on graphs sampled Bernoulli from the graphon. Under smoothness conditions, we show that: (i) the expected distance between the learning steps on the GNN and on the WNN decreases asymptotically with the size of the graph, and (ii) when training on a sequence of growing graphs, gradient descent follows the learning direction of the WNN. Inspired by these results, we propose a novel algorithm to learn GNNs on large-scale graphs that, starting from a moderate number of nodes, successively increases the size of the graph during training. This algorithm is benchmarked on both a recommendation system and a decentralized control problem where it is shown to retain comparable performance, to its large-scale counterpart, at a reduced computational cost.

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Graph neural networks (GNNs) are processing architectures that exploit graph structural information to model representations from network data. Despite their success, GNNs suffer from sub-optimal generalization performance given limited training data, referred to as over-fitting. This paper proposes Topology Adaptive Edge Dropping (TADropEdge) method as an adaptive data augmentation technique to improve generalization performance and learn robust GNN models. We start by explicitly analyzing how random edge dropping increases the data diversity during training, while indicating i.i.d. edge dropping does not account for graph structural information and could result in noisy augmented data degrading performance. To overcome this issue, we consider graph connectivity as the key property that captures graph topology. TADropEdge incorporates this factor into random edge dropping such that the edge-dropped subgraphs maintain similar topology as the underlying graph, yielding more satisfactory data augmentation. In particular, TADropEdge first leverages the graph spectrum to assign proper weights to graph edges, which represent their criticality for establishing the graph connectivity. It then normalizes the edge weights and drops graph edges adaptively based on their normalized weights. Besides improving generalization performance, TADropEdge reduces variance for efficient training and can be applied as a generic method modular to different GNN models. Intensive experiments on real-life and synthetic datasets corroborate theory and verify the effectiveness of the proposed method.
The pre-training on the graph neural network model can learn the general features of large-scale networks or networks of the same type by self-supervised methods, which allows the model to work even when node labels are missing. However, the existing pre-training methods do not take network evolution into consideration. This paper proposes a pre-training method on dynamic graph neural networks (PT-DGNN), which uses dynamic attributed graph generation tasks to simultaneously learn the structure, semantics, and evolution features of the graph. The method includes two steps: 1) dynamic sub-graph sampling, and 2) pre-training with dynamic attributed graph generation task. Comparative experiments on three realistic dynamic network datasets show that the proposed method achieves the best results on the link prediction fine-tuning task.
Network data can be conveniently modeled as a graph signal, where data values are assigned to nodes of a graph that describes the underlying network topology. Successful learning from network data is built upon methods that effectively exploit this graph structure. In this work, we leverage graph signal processing to characterize the representation space of graph neural networks (GNNs). We discuss the role of graph convolutional filters in GNNs and show that any architecture built with such filters has the fundamental properties of permutation equivariance and stability to changes in the topology. These two properties offer insight about the workings of GNNs and help explain their scalability and transferability properties which, coupled with their local and distributed nature, make GNNs powerful tools for learning in physical networks. We also introduce GNN extensions using edge-varying and autoregressive moving average graph filters and discuss their properties. Finally, we study the use of GNNs in recommender systems and learning decentralized controllers for robot swarms.
Graph neural networks (GNNs) have been successfully employed in a myriad of applications involving graph-structured data. Theoretical findings establish that GNNs use nonlinear activation functions to create low-eigenvalue frequency content that can be processed in a stable manner by subsequent graph convolutional filters. However, the exact shape of the frequency content created by nonlinear functions is not known, and thus, it cannot be learned nor controlled. In this work, node-variant graph filters (NVGFs) are shown to be capable of creating frequency content and are thus used in lieu of nonlinear activation functions. This results in a novel GNN architecture that, although linear, is capable of creating frequency content as well. Furthermore, this new frequency content can be either designed or learned from data. In this way, the role of frequency creation is separated from the nonlinear nature of traditional GNNs. Extensive simulations are carried out to differentiate the contributions of frequency creation from those of the nonlinearity.
In this work, we propose to train a graph neural network via resampling from a graphon estimate obtained from the underlying network data. More specifically, the graphon or the link probability matrix of the underlying network is first obtained from which a new network will be resampled and used during the training process at each layer. Due to the uncertainty induced from the resampling, it helps mitigate the well-known issue of over-smoothing in a graph neural network (GNN) model. Our framework is general, computationally efficient, and conceptually simple. Another appealing feature of our method is that it requires minimal additional tuning during the training process. Extensive numerical results show that our approach is competitive with and in many cases outperform the other over-smoothing reducing GNN training methods.

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