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Simplifying Architecture Search for Graph Neural Network

arXiv.org Machine Learning

Recent years have witnessed the popularity of Graph Neural Networks (GNN) in various scenarios. To obtain optimal data-specific GNN architectures, researchers turn to neural architecture search (NAS) methods, which have made impressive progress in discovering effective architectures in convolutional neural networks. Two preliminary works, GraphNAS and Auto-GNN, have made first attempt to apply NAS methods to GNN. Despite the promising results, there are several drawbacks in expressive capability and search efficiency of GraphNAS and Auto-GNN due to the designed search space. To overcome these drawbacks, we propose the SNAG framework (Simplified Neural Architecture search for Graph neural networks), consisting of a novel search space and a reinforcement learning based search algorithm. Extensive experiments on real-world datasets demonstrate the effectiveness of the SNAG framework compared to human-designed GNNs and NAS methods, including GraphNAS and Auto-GNN.


GraphNAS: Graph Neural Architecture Search with Reinforcement Learning

arXiv.org Artificial Intelligence

Graph Neural Networks (GNNs) have been popularly used for analyzing non-Euclidean data such as social network data and biological data. Despite their success, the design of graph neural networks requires a lot of manual work and domain knowledge. In this paper, we propose a Graph Neural Architecture Search method (GraphNAS for short) that enables automatic search of the best graph neural architecture based on reinforcement learning. Specifically, GraphNAS first uses a recurrent network to generate variable-length strings that describe the architectures of graph neural networks, and then trains the recurrent network with reinforcement learning to maximize the expected accuracy of the generated architectures on a validation data set. Extensive experimental results on node classification tasks in both transductive and inductive learning settings demonstrate that GraphNAS can achieve consistently better performance on the Cora, Citeseer, Pubmed citation network, and protein-protein interaction network. On node classification tasks, GraphNAS can design a novel network architecture that rivals the best human-invented architecture in terms of test set accuracy.


AutoGraph: Automated Graph Neural Network

arXiv.org Artificial Intelligence

Graphs play an important role in many applications. Recently, Graph Neural Networks (GNNs) have achieved promising results in graph analysis tasks. Some state-of-the-art GNN models have been proposed, e.g., Graph Convolutional Networks (GCNs), Graph Attention Networks (GATs), etc. Despite these successes, most of the GNNs only have shallow structure. This causes the low expressive power of the GNNs. To fully utilize the power of the deep neural network, some deep GNNs have been proposed recently. However, the design of deep GNNs requires significant architecture engineering. In this work, we propose a method to automate the deep GNNs design. In our proposed method, we add a new type of skip connection to the GNNs search space to encourage feature reuse and alleviate the vanishing gradient problem. We also allow our evolutionary algorithm to increase the layers of GNNs during the evolution to generate deeper networks. We evaluate our method in the graph node classification task. The experiments show that the GNNs generated by our method can obtain state-of-the-art results in Cora, Citeseer, Pubmed and PPI datasets.


Probabilistic Dual Network Architecture Search on Graphs

arXiv.org Machine Learning

We present the first differentiable Network Architecture Search (NAS) for Graph Neural Networks (GNNs). GNNs show promising performance on a wide range of tasks, but require a large amount of architecture engineering. First, graphs are inherently a non-Euclidean and sophisticated data structure, leading to poor adaptivity of GNN architectures across different datasets. Second, a typical graph block contains numerous different components, such as aggregation and attention, generating a large combinatorial search space. To counter these problems, we propose a Probabilistic Dual Network Architecture Search (PDNAS) framework for GNNs. PDNAS not only optimises the operations within a single graph block (micro-architecture), but also considers how these blocks should be connected to each other (macro-architecture). The dual architecture (micro- and marco-architectures) optimisation allows PDNAS to find deeper GNNs on diverse datasets with better performance compared to other graph NAS methods. Moreover, we use a fully gradient-based search approach to update architectural parameters, making it the first differentiable graph NAS method. PDNAS outperforms existing hand-designed GNNs and NAS results, for example, on the PPI dataset, PDNAS beats its best competitors by 1.67 and 0.17 in F1 scores.


Policy-GNN: Aggregation Optimization for Graph Neural Networks

arXiv.org Machine Learning

Graph data are pervasive in many real-world applications. Recently, increasing attention has been paid on graph neural networks (GNNs), which aim to model the local graph structures and capture the hierarchical patterns by aggregating the information from neighbors with stackable network modules. Motivated by the observation that different nodes often require different iterations of aggregation to fully capture the structural information, in this paper, we propose to explicitly sample diverse iterations of aggregation for different nodes to boost the performance of GNNs. It is a challenging task to develop an effective aggregation strategy for each node, given complex graphs and sparse features. Moreover, it is not straightforward to derive an efficient algorithm since we need to feed the sampled nodes into different number of network layers. To address the above challenges, we propose Policy-GNN, a meta-policy framework that models the sampling procedure and message passing of GNNs into a combined learning process. Specifically, Policy-GNN uses a meta-policy to adaptively determine the number of aggregations for each node. The meta-policy is trained with deep reinforcement learning (RL) by exploiting the feedback from the model. We further introduce parameter sharing and a buffer mechanism to boost the training efficiency. Experimental results on three real-world benchmark datasets suggest that Policy-GNN significantly outperforms the state-of-the-art alternatives, showing the promise in aggregation optimization for GNNs.