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Register a new userEfficient Graph Generation with Graph Recurrent Attention Networks
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We propose a new family of efficient and expressive deep generative models of graphs, called Graph Recurrent Attention Networks (GRANs). Our model generates graphs one block of nodes and associated edges at a time. The block size and sampling stride allow us to trade off sample quality for efficiency. Compared to previous RNN-based graph generative models, our framework better captures the auto-regressive conditioning between the already-generated and to-be-generated parts of the graph using Graph Neural Networks (GNNs) with attention. This not only reduces the dependency on node ordering but also bypasses the long-term bottleneck caused by the sequential nature of RNNs. Moreover, we parameterize the output distribution per block using a mixture of Bernoulli, which captures the correlations among generated edges within the block. Finally, we propose to handle node orderings in generation by marginalizing over a family of canonical orderings. On standard benchmarks, we achieve state-of-the-art time efficiency and sample quality compared to previous models. Additionally, we show our model is capable of generating large graphs of up to 5K nodes with good quality. To the best of our knowledge, GRAN is the first deep graph generative model that can scale to this size. Our code is released at: https://github.com/lrjconan/GRAN.
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Graph Neural Networks (GNNs) have proved to be an effective representation learning framework for graph-structured data, and have achieved state-of-the-art performance on many practical predictive tasks, such as node classification, link prediction and graph classification. Among the variants of GNNs, Graph Attention Networks (GATs) learn to assign dense attention coefficients over all neighbors of a node for feature aggregation, and improve the performance of many graph learning tasks. However, real-world graphs are often very large and noisy, and GATs are prone to overfitting if not regularized properly. Even worse, the local aggregation mechanism of GATs may fail on disassortative graphs, where nodes within local neighborhood provide more noise than useful information for feature aggregation. In this paper, we propose Sparse Graph Attention Networks (SGATs) that learn sparse attention coefficients under an $L_0$-norm regularization, and the learned sparse attentions are then used for all GNN layers, resulting in an edge-sparsified graph. By doing so, we can identify noisy/task-irrelevant edges, and thus perform feature aggregation on most informative neighbors. Extensive experiments on synthetic and real-world graph learning benchmarks demonstrate the superior performance of SGATs. In particular, SGATs can remove about 50%-80% edges from large assortative graphs, while retaining similar classification accuracies. On disassortative graphs, SGATs prune majority of noisy edges and outperform GATs in classification accuracies by significant margins. Furthermore, the removed edges can be interpreted intuitively and quantitatively. To the best of our knowledge, this is the first graph learning algorithm that shows significant redundancies in graphs and edge-sparsified graphs can achieve similar or sometimes higher predictive performances than original graphs.
The attention mechanism has demonstrated superior performance for inference over nodes in graph neural networks (GNNs), however, they result in a high computational burden during both training and inference. We propose FastGAT, a method to make attention based GNNs lightweight by using spectral sparsification to generate an optimal pruning of the input graph. This results in a per-epoch time that is almost linear in the number of graph nodes as opposed to quadratic. We theoretically prove that spectral sparsification preserves the features computed by the GAT model, thereby justifying our algorithm. We experimentally evaluate FastGAT on several large real world graph datasets for node classification tasks under both inductive and transductive settings. FastGAT can dramatically reduce (up to textbf{10x}) the computational time and memory requirements, allowing the usage of attention based GNNs on large graphs.
Origin-destination (OD) matrices are often used in urban planning, where a city is partitioned into regions and an element (i, j) in an OD matrix records the cost (e.g., travel time, fuel consumption, or travel speed) from region i to region j. In this paper, we partition a day into multiple intervals, e.g., 96 15-min intervals and each interval is associated with an OD matrix which represents the costs in the interval; and we consider sparse and stochastic OD matrices, where the elements represent stochastic but not deterministic costs and some elements are missing due to lack of data between two regions. We solve the sparse, stochastic OD matrix forecasting problem. Given a sequence of historical OD matrices that are sparse, we aim at predicting future OD matrices with no empty elements. We propose a generic learning framework to solve the problem by dealing with sparse matrices via matrix factorization and two graph convolutional neural networks and capturing temporal dynamics via recurrent neural network. Empirical studies using two taxi datasets from different countries verify the effectiveness of the proposed framework.
Advanced methods of applying deep learning to structured data such as graphs have been proposed in recent years. In particular, studies have focused on generalizing convolutional neural networks to graph data, which includes redefining the convolution and the downsampling (pooling) operations for graphs. The method of generalizing the convolution operation to graphs has been proven to improve performance and is widely used. However, the method of applying downsampling to graphs is still difficult to perform and has room for improvement. In this paper, we propose a graph pooling method based on self-attention. Self-attention using graph convolution allows our pooling method to consider both node features and graph topology. To ensure a fair comparison, the same training procedures and model architectures were used for the existing pooling methods and our method. The experimental results demonstrate that our method achieves superior graph classification performance on the benchmark datasets using a reasonable number of parameters.
Graph neural network (GNN) has shown superior performance in dealing with graphs, which has attracted considerable research attention recently. However, most of the existing GNN models are primarily designed for graphs in Euclidean spaces. Recent research has proven that the graph data exhibits non-Euclidean latent anatomy. Unfortunately, there was rarely study of GNN in non-Euclidean settings so far. To bridge this gap, in this paper, we study the GNN with attention mechanism in hyperbolic spaces at the first attempt. The research of hyperbolic GNN has some unique challenges: since the hyperbolic spaces are not vector spaces, the vector operations (e.g., vector addition, subtraction, and scalar multiplication) cannot be carried. To tackle this problem, we employ the gyrovector spaces, which provide an elegant algebraic formalism for hyperbolic geometry, to transform the features in a graph; and then we propose the hyperbolic proximity based attention mechanism to aggregate the features. Moreover, as mathematical operations in hyperbolic spaces could be more complicated than those in Euclidean spaces, we further devise a novel acceleration strategy using logarithmic and exponential mappings to improve the efficiency of our proposed model. The comprehensive experimental results on four real-world datasets demonstrate the performance of our proposed hyperbolic graph attention network model, by comparisons with other state-of-the-art baseline methods.
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