NetLSD: Hearing the Shape of a Graph

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.Comment: KDD '18: The 24th ACM SIGKDD International Conference on Knowledge Discovery & Data Mining, August 19--23, 2018, London, United Kingdo

Steklov Spectral Geometry for Extrinsic Shape Analysis

We propose using the Dirichlet-to-Neumann operator as an extrinsic alternative to the Laplacian for spectral geometry processing and shape analysis. Intrinsic approaches, usually based on the Laplace-Beltrami operator, cannot capture the spatial embedding of a shape up to rigid motion, and many previous extrinsic methods lack theoretical justification. Instead, we consider the Steklov eigenvalue problem, computing the spectrum of the Dirichlet-to-Neumann operator of a surface bounding a volume. A remarkable property of this operator is that it completely encodes volumetric geometry. We use the boundary element method (BEM) to discretize the operator, accelerated by hierarchical numerical schemes and preconditioning; this pipeline allows us to solve eigenvalue and linear problems on large-scale meshes despite the density of the Dirichlet-to-Neumann discretization. We further demonstrate that our operators naturally fit into existing frameworks for geometry processing, making a shift from intrinsic to extrinsic geometry as simple as substituting the Laplace-Beltrami operator with the Dirichlet-to-Neumann operator.Comment: Additional experiments adde

Making Laplacians commute

In this paper, we construct multimodal spectral geometry by finding a pair of closest commuting operators (CCO) to a given pair of Laplacians. The CCOs are jointly diagonalizable and hence have the same eigenbasis. Our construction naturally extends classical data analysis tools based on spectral geometry, such as diffusion maps and spectral clustering. We provide several synthetic and real examples of applications in dimensionality reduction, shape analysis, and clustering, demonstrating that our method better captures the inherent structure of multi-modal data

Metrics for Graph Comparison: A Practitioner's Guide

Comparison of graph structure is a ubiquitous task in data analysis and machine learning, with diverse applications in fields such as neuroscience, cyber security, social network analysis, and bioinformatics, among others. Discovery and comparison of structures such as modular communities, rich clubs, hubs, and trees in data in these fields yields insight into the generative mechanisms and functional properties of the graph. Often, two graphs are compared via a pairwise distance measure, with a small distance indicating structural similarity and vice versa. Common choices include spectral distances (also known as $\lambda$ distances) and distances based on node affinities. However, there has of yet been no comparative study of the efficacy of these distance measures in discerning between common graph topologies and different structural scales. In this work, we compare commonly used graph metrics and distance measures, and demonstrate their ability to discern between common topological features found in both random graph models and empirical datasets. We put forward a multi-scale picture of graph structure, in which the effect of global and local structure upon the distance measures is considered. We make recommendations on the applicability of different distance measures to empirical graph data problem based on this multi-scale view. Finally, we introduce the Python library NetComp which implements the graph distances used in this work