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Register a new userGPT-GNN: Generative Pre-Training of Graph Neural Networks
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Ziniu Hu
Publication date
2020
fields
Informatics Engineering
and research's language is
English
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Graph neural networks (GNNs) have been demonstrated to be powerful in modeling graph-structured data. However, training GNNs usually requires abundant task-specific labeled data, which is often arduously expensive to obtain. One effective way to reduce the labeling effort is to pre-train an expressive GNN model on unlabeled data with self-supervision and then transfer the learned model to downstream tasks with only a few labels. In this paper, we present the GPT-GNN framework to initialize GNNs by generative pre-training. GPT-GNN introduces a self-supervised attributed graph generation task to pre-train a GNN so that it can capture the structural and semantic properties of the graph. We factorize the likelihood of the graph generation into two components: 1) Attribute Generation and 2) Edge Generation. By modeling both components, GPT-GNN captures the inherent dependency between node attributes and graph structure during the generative process. Comprehensive experiments on the billion-scale Open Academic Graph and Amazon recommendation data demonstrate that GPT-GNN significantly outperforms state-of-the-art GNN models without pre-training by up to 9.1% across various downstream tasks.
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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.
Graph representation learning has emerged as a powerful technique for addressing real-world problems. Various downstream graph learning tasks have benefited from its recent developments, such as node classification, similarity search, and graph classification. However, prior arts on graph representation learning focus on domain specific problems and train a dedicated model for each graph dataset, which is usually non-transferable to out-of-domain data. Inspired by the recent advances in pre-training from natural language processing and computer vision, we design Graph Contrastive Coding (GCC) -- a self-supervised graph neural network pre-training framework -- to capture the universal network topological properties across multiple networks. We design GCCs pre-training task as subgraph instance discrimination in and across networks and leverage contrastive learning to empower graph neural networks to learn the intrinsic and transferable structural representations. We conduct extensive experiments on three graph learning tasks and ten graph datasets. The results show that GCC pre-trained on a collection of diverse datasets can achieve competitive or better performance to its task-specific and trained-from-scratch counterparts. This suggests that the pre-training and fine-tuning paradigm presents great potential for graph representation learning.
Despite the prevalence of hypergraphs in a variety of high-impact applications, there are relatively few works on hypergraph representation learning, most of which primarily focus on hyperlink prediction, often restricted to the transductive learning setting. Among others, a major hurdle for effective hypergraph representation learning lies in the label scarcity of nodes and/or hyperedges. To address this issue, this paper presents an end-to-end, bi-level pre-training strategy with Graph Neural Networks for hypergraphs. The proposed framework named HyperGene bears three distinctive advantages. First, it is capable of ingesting the labeling information when available, but more importantly, it is mainly designed in the self-supervised fashion which significantly broadens its applicability. Second, at the heart of the proposed HyperGene are two carefully designed pretexts, one on the node level and the other on the hyperedge level, which enable us to encode both the local and the global context in a mutually complementary way. Third, the proposed framework can work in both transductive and inductive settings. When applying the two proposed pretexts in tandem, it can accelerate the adaptation of the knowledge from the pre-trained model to downstream applications in the transductive setting, thanks to the bi-level nature of the proposed method. The extensive experimental results demonstrate that: (1) HyperGene achieves up to 5.69% improvements in hyperedge classification, and (2) improves pre-training efficiency by up to 42.80% on average.
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.
Graph Neural Networks (GNNs) have achieved state-of-the-art results on many graph analysis tasks such as node classification and link prediction. However, important unsupervised problems on graphs, such as graph clustering, have proved more resistant to advances in GNNs. In this paper, we study unsupervised training of GNN pooling in terms of their clustering capabilities. We start by drawing a connection between graph clustering and graph pooling: intuitively, a good graph clustering is what one would expect from a GNN pooling layer. Counterintuitively, we show that this is not true for state-of-the-art pooling methods, such as MinCut pooling. To address these deficiencies, we introduce Deep Modularity Networks (DMoN), an unsupervised pooling method inspired by the modularity measure of clustering quality, and show how it tackles recovery of the challenging clustering structure of real-world graphs. In order to clarify the regimes where existing methods fail, we carefully design a set of experiments on synthetic data which show that DMoN is able to jointly leverage the signal from the graph structure and node attributes. Similarly, on real-world data, we show that DMoN produces high quality clusters which correlate strongly with ground truth labels, achieving state-of-the-art results.
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