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Register a new userTraining Sensitivity in Graph Isomorphism Network
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Added by
Md. Khaledur Rahman
Publication date
2020
fields
Informatics Engineering
and research's language is
English
Authors
Md. Khaledur Rahman
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Graph neural network (GNN) is a popular tool to learn the lower-dimensional representation of a graph. It facilitates the applicability of machine learning tasks on graphs by incorporating domain-specific features. There are various options for underlying procedures (such as optimization functions, activation functions, etc.) that can be considered in the implementation of GNN. However, most of the existing tools are confined to one approach without any analysis. Thus, this emerging field lacks a robust implementation ignoring the highly irregular structure of the real-world graphs. In this paper, we attempt to fill this gap by studying various alternative functions for a respective module using a diverse set of benchmark datasets. Our empirical results suggest that the generally used underlying techniques do not always perform well to capture the overall structure from a set of graphs.
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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.
Graph similarity computation aims to predict a similarity score between one pair of graphs to facilitate downstream applications, such as finding the most similar chemical compounds similar to a query compound or Fewshot 3D Action Recognition. Recently, some graph similarity computation models based on neural networks have been proposed, which are either based on graph-level interaction or node-level comparison. However, when the number of nodes in the graph increases, it will inevitably bring about reduced representation ability or high computation cost. Motivated by this observation, we propose a graph partitioning and graph neural network-based model, called PSimGNN, to effectively resolve this issue. Specifically, each of the input graphs is partitioned into a set of subgraphs to extract the local structural features directly. Next, a novel graph neural network with an attention mechanism is designed to map each subgraph into an embedding vector. Some of these subgraph pairs are automatically selected for node-level comparison to supplement the subgraph-level embedding with fine-grained information. Finally, coarse-grained interaction information among subgraphs and fine-grained comparison information among nodes in different subgraphs are integrated to predict the final similarity score. Experimental results on graph datasets with different graph sizes demonstrate that PSimGNN outperforms state-of-the-art methods in graph similarity computation tasks using approximate Graph Edit Distance (GED) as the graph similarity metric.
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.
Are Graph Neural Networks (GNNs) fair? In many real world graphs, the formation of edges is related to certain node attributes (e.g. gender, community, reputation). In this case, standard GNNs using these edges will be biased by this information, as it is encoded in the structure of the adjacency matrix itself. In this paper, we show that when metadata is correlated with the formation of node neighborhoods, unsupervised node embedding dimensions learn this metadata. This bias implies an inability to control for important covariates in real-world applications, such as recommendation systems. To solve these issues, we introduce the Metadata-Orthogonal Node Embedding Training (MONET) unit, a general model for debiasing embeddings of nodes in a graph. MONET achieves this by ensuring that the node embeddings are trained on a hyperplane orthogonal to that of the node metadata. This effectively organizes unstructured embedding dimensions into an interpretable topology-only, metadata-only division with no linear interactions. We illustrate the effectiveness of MONET though our experiments on a variety of real world graphs, which shows that our method can learn and remove the effect of arbitrary covariates in tasks such as preventing the leakage of political party affiliation in a blog network, and thwarting the gaming of embedding-based recommendation systems.
Modeling generative process of growing graphs has wide applications in social networks and recommendation systems, where cold start problem leads to new nodes isolated from existing graph. Despite the emerging literature in learning graph representation and graph generation, most of them can not handle isolated new nodes without nontrivial modifications. The challenge arises due to the fact that learning to generate representations for nodes in observed graph relies heavily on topological features, whereas for new nodes only node attributes are available. Here we propose a unified generative graph convolutional network that learns node representations for all nodes adaptively in a generative model framework, by sampling graph generation sequences constructed from observed graph data. We optimize over a variational lower bound that consists of a graph reconstruction term and an adaptive Kullback-Leibler divergence regularization term. We demonstrate the superior performance of our approach on several benchmark citation network datasets.
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