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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Comparison among graphs is ubiquitous in graph analytics. However, it is a hard task in terms of the expressiveness of the employed similarity measure and the efficiency of its computation. Ideally, graph comparison should be invariant to the order of nodes and the sizes of compared graphs, adaptive to the scale of graph patterns, and scalable. Unfortunately, these properties have not been addressed together. Graph comparisons still rely on direct approaches, graph kernels, or representation-based methods, which are all inefficient and impractical for large graph collections.In this paper, we propose the Network Laplacian Spectral Descriptor (NetLSD): the first, to our knowledge, permutation-and size-invariant, scale-adaptive, and efficiently computable graph representation method that allows for straightforward comparisons of large graphs. NetLSD extracts a compact signature that inherits the formal properties of the Laplacian spectrum, specifically its heat or wave kernel; thus, it hears the shape of a graph. Our evaluation on a variety of real-world graphs demonstrates that it outperforms previous works in both expressiveness and efficiency.

Graph comparison is a fundamental operation in data mining and information retrieval. Due to the combinatorial nature of graphs, it is hard to balance the expressiveness of the similarity measure and its scalability. Spectral analysis provides quintessential tools for studying the multi-scale structure of graphs and is a well-suited foundation for reasoning about differences between graphs. However, computing full spectrum of large graphs is computationally prohibitive; thus, spectral graph comparison methods often rely on rough approximation techniques with weak error guarantees.In this work, we propose SLaQ, an efficient and effective approximation technique for computing spectral distances between graphs with billions of nodes and edges. We derive the corresponding error bounds and demonstrate that accurate computation is possible in time linear in the number of graph edges. In a thorough experimental evaluation, we show that SLaQ outperforms existing methods, oftentimes by several orders of magnitude in approximation accuracy, and maintains comparable performance, allowing to compare million-scale graphs in a matter of minutes on a single machine.

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