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Theoretically Improving Graph Neural Networks via Anonymous Walk Graph Kernels

TL;DR: GSKN as discussed by the authors is a GNN model with a theoretically stronger ability to distinguish graph structures, based on anonymous walks (AWs), flexible substructure units, and derive it upon feature mappings of graph kernels (GKs).
Abstract: Graph neural networks (GNNs) have achieved tremendous success in graph mining. However, the inability of GNNs to model substructures in graphs remains a significant drawback. Specifically, message-passing GNNs (MPGNNs), as the prevailing type of GNNs, have been theoretically shown unable to distinguish, detect or count many graph substructures. While efforts have been paid to complement the inability, existing works either rely on pre-defined substructure sets, thus being less flexible, or are lacking in theoretical insights. In this paper, we propose GSKN, a GNN model with a theoretically stronger ability to distinguish graph structures. Specifically, we design GSKN based on anonymous walks (AWs), flexible substructure units, and derive it upon feature mappings of graph kernels (GKs). We theoretically show that GSKN provably extends the 1-WL test, and hence the maximally powerful MPGNNs from both graph-level and node-level viewpoints. Correspondingly, various experiments are leveraged to evaluate GSKN, where GSKN outperforms a wide range of baselines, endorsing the analysis.
Citations
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Proceedings ArticleDOI
TL;DR: Wang et al. as mentioned in this paper proposed Spatial-Temporal Graph Ordinary Differential Equation Networks (STGODE) to capture spatial-temporal dynamics through a tensor-based ordinary differential equation (ODE), as well as a well-design temporal dialated convolution structure is used to capture long term temporal dependencies.
Abstract: Spatial-temporal forecasting has attracted tremendous attention in a wide range of applications, and traffic flow prediction is a canonical and typical example. The complex and long-range spatial-temporal correlations of traffic flow bring it to a most intractable challenge. Existing works typically utilize shallow graph convolution networks (GNNs) and temporal extracting modules to model spatial and temporal dependencies respectively. However, the representation ability of such models is limited due to: (1) shallow GNNs are incapable to capture long-range spatial correlations, (2) only spatial connections are considered and a mass of semantic connections are ignored, which are of great importance for a comprehensive understanding of traffic networks. To this end, we propose Spatial-Temporal Graph Ordinary Differential Equation Networks (STGODE). Specifically, we capture spatial-temporal dynamics through a tensor-based ordinary differential equation (ODE), as a result, deeper networks can be constructed and spatial-temporal features are utilized synchronously. To understand the network more comprehensively, semantical adjacency matrix is considered in our model, and a well-design temporal dialated convolution structure is used to capture long term temporal dependencies. We evaluate our model on multiple real-world traffic datasets and superior performance is achieved over state-of-the-art baselines.

85 citations

References
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Journal ArticleDOI
TL;DR: In this paper, it is argued that the degree of overlap of two individuals' friendship networks varies directly with the strength of their tie to one another, and the impact of this principle on diffusion of influence and information, mobility opportunity, and community organization is explored.
Abstract: Analysis of social networks is suggested as a tool for linking micro and macro levels of sociological theory. The procedure is illustrated by elaboration of the macro implications of one aspect of small-scale interaction: the strength of dyadic ties. It is argued that the degree of overlap of two individuals' friendship networks varies directly with the strength of their tie to one another. The impact of this principle on diffusion of influence and information, mobility opportunity, and community organization is explored. Stress is laid on the cohesive power of weak ties. Most network models deal, implicitly, with strong ties, thus confining their applicability to small, well-defined groups. Emphasis on weak ties lends itself to discussion of relations between groups and to analysis of segments of social structure not easily defined in terms of primary groups.

37,560 citations

Posted Content
TL;DR: GraphSAGE is presented, a general, inductive framework that leverages node feature information (e.g., text attributes) to efficiently generate node embeddings for previously unseen data and outperforms strong baselines on three inductive node-classification benchmarks.
Abstract: Low-dimensional embeddings of nodes in large graphs have proved extremely useful in a variety of prediction tasks, from content recommendation to identifying protein functions. However, most existing approaches require that all nodes in the graph are present during training of the embeddings; these previous approaches are inherently transductive and do not naturally generalize to unseen nodes. Here we present GraphSAGE, a general, inductive framework that leverages node feature information (e.g., text attributes) to efficiently generate node embeddings for previously unseen data. Instead of training individual embeddings for each node, we learn a function that generates embeddings by sampling and aggregating features from a node's local neighborhood. Our algorithm outperforms strong baselines on three inductive node-classification benchmarks: we classify the category of unseen nodes in evolving information graphs based on citation and Reddit post data, and we show that our algorithm generalizes to completely unseen graphs using a multi-graph dataset of protein-protein interactions.

7,926 citations

Journal ArticleDOI
25 Oct 2002-Science
TL;DR: Network motifs, patterns of interconnections occurring in complex networks at numbers that are significantly higher than those in randomized networks, are defined and may define universal classes of networks.
Abstract: Complex networks are studied across many fields of science. To uncover their structural design principles, we defined “network motifs,” patterns of interconnections occurring in complex networks at numbers that are significantly higher than those in randomized networks. We found such motifs in networks from biochemistry, neurobiology, ecology, and engineering. The motifs shared by ecological food webs were distinct from the motifs shared by the genetic networks of Escherichia coli and Saccharomyces cerevisiae or from those found in the World Wide Web. Similar motifs were found in networks that perform information processing, even though they describe elements as different as biomolecules within a cell and synaptic connections between neurons in Caenorhabditis elegans. Motifs may thus define universal classes of networks. This

6,992 citations

Book
03 Dec 1996
TL;DR: Eigenvalues and the Laplacian of a graph Isoperimetric problems Diameters and eigenvalues Paths, flows, and routing Eigen values and quasi-randomness
Abstract: Eigenvalues and the Laplacian of a graph Isoperimetric problems Diameters and eigenvalues Paths, flows, and routing Eigenvalues and quasi-randomness Expanders and explicit constructions Eigenvalues of symmetrical graphs Eigenvalues of subgraphs with boundary conditions Harnack inequalities Heat kernels Sobolev inequalities Advanced techniques for random walks on graphs Bibliography Index.

6,948 citations

Book
01 Jan 2004
TL;DR: This book provides an easy introduction for students and researchers to the growing field of kernel-based pattern analysis, demonstrating with examples how to handcraft an algorithm or a kernel for a new specific application, and covering all the necessary conceptual and mathematical tools to do so.
Abstract: Kernel methods provide a powerful and unified framework for pattern discovery, motivating algorithms that can act on general types of data (e.g. strings, vectors or text) and look for general types of relations (e.g. rankings, classifications, regressions, clusters). The application areas range from neural networks and pattern recognition to machine learning and data mining. This book, developed from lectures and tutorials, fulfils two major roles: firstly it provides practitioners with a large toolkit of algorithms, kernels and solutions ready to use for standard pattern discovery problems in fields such as bioinformatics, text analysis, image analysis. Secondly it provides an easy introduction for students and researchers to the growing field of kernel-based pattern analysis, demonstrating with examples how to handcraft an algorithm or a kernel for a new specific application, and covering all the necessary conceptual and mathematical tools to do so.

6,050 citations