Convex Graph Invariant Relaxations For Graph Edit Distance

The edit distance between two graphs is a widely used measure of similarity that evaluates the smallest number of vertex and edge deletions/insertions required to transform one graph to another. It is NP-hard to compute in general, and a large number of heuristics have been proposed for approximating this quantity. With few exceptions, these methods generally provide upper bounds on the edit distance between two graphs. In this paper, we propose a new family of computationally tractable convex relaxations for obtaining lower bounds on graph edit distance. These relaxations can be tailored to the structural properties of the particular graphs via convex graph invariants. Specific examples that we highlight in this paper include constraints on the graph spectrum as well as (tractable approximations of) the stability number and the maximum-cut values of graphs. We prove under suitable conditions that our relaxations are tight (i.e., exactly compute the graph edit distance) when one of the graphs consists of few eigenvalues. We also validate the utility of our framework on synthetic problems as well as real applications involving molecular structure comparison problems in chemistry.Comment: 27 pages, 7 figure

Convex Relaxations for Graph and Inverse Eigenvalue Problems

This thesis is concerned with presenting convex optimization based tractable solutions for three fundamental problems: 1. Planted subgraph problem: Given two graphs, identifying the subset of vertices of the larger graph corresponding to the smaller one. 2. Graph edit distance problem: Given two graphs, calculating the number of edge/vertex additions and deletions required to transform one graph into the other. 3. Affine inverse eigenvalue problem: Given a subspace ε ⊂ &#x1D54A;ⁿ and a vector of eigenvalues λ ∈ ℝⁿ, finding a symmetric matrix with spectrum λ contained in ε. These combinatorial and algebraic problems frequently arise in various application domains such as social networks, computational biology, chemoinformatics, and control theory. Nevertheless, exactly solving them in practice is only possible for very small instances due to their complexity. For each of these problems, we introduce convex relaxations which succeed in providing exact or approximate solutions in a computationally tractable manner. Our relaxations for the two graph problems are based on convex graph invariants, which are functions of graphs that do not depend on a particular labeling. One of these convex relaxations, coined the Schur-Horn orbitope, corresponds to the convex hull of all matrices with a given spectrum, and plays a prominent role in this thesis. Specifically, we utilize relaxations based on the Schur-Horn orbitope in the context of the planted subgraph problem and the graph edit distance problem. For both of these problems, we identify conditions under which the Schur-Horn orbitope based relaxations exactly solve the corresponding problem with overwhelming probability. Specifically, we demonstrate that these relaxations turn out to be particularly effective when the underlying graph has a spectrum comprised of few distinct eigenvalues with high multiplicities. In addition to relaxations based on the Schur-Horn orbitope, we also consider outer-approximations based on other convex graph invariants such as the stability number and the maximum-cut value for the graph edit distance problem. On the other hand, for the inverse eigenvalue problem, we investigate two relaxations arising from a sum of squares hierarchy. These relaxations have different approximation qualities, and accordingly induce different computational costs. We utilize our framework to generate solutions for, or certify unsolvability of the underlying inverse eigenvalue problem. We particularly emphasize the computational aspect of our relaxations throughout this thesis. We corroborate the utility of our methods with various numerical experiments.</p

Finding Planted Subgraphs with Few Eigenvalues using the Schur-Horn Relaxation

Extracting structured subgraphs inside large graphs---often known as the planted subgraph problem---is a fundamental question that arises in a range of application domains. This problem is NP-hard in general and, as a result, significant efforts have been directed towards the development of tractable procedures that succeed on specific families of problem instances. We propose a new computationally efficient convex relaxation for solving the planted subgraph problem; our approach is based on tractable semidefinite descriptions of majorization inequalities on the spectrum of a symmetric matrix. This procedure is effective at finding planted subgraphs that consist of few distinct eigenvalues, and it generalizes previous convex relaxation techniques for finding planted cliques. Our analysis relies prominently on the notion of spectrally comonotone matrices, which are pairs of symmetric matrices that can be transformed to diagonal matrices with sorted diagonal entries upon conjugation by the same orthogonal matrix

Convex graph invariant relaxations for graph edit distance

The edit distance between two graphs is a widely used measure of similarity that evaluates the smallest number of vertex and edge deletions/insertions required to transform one graph to another. It is NP-hard to compute in general, and a large number of heuristics have been proposed for approximating this quantity. With few exceptions, these methods generally provide upper bounds on the edit distance between two graphs. In this paper, we propose a new family of computationally tractable convex relaxations for obtaining lower bounds on graph edit distance. These relaxations can be tailored to the structural properties of the particular graphs via convex graph invariants. Specific examples that we highlight in this paper include constraints on the graph spectrum as well as (tractable approximations of) the stability number and the maximum-cut values of graphs. We prove under suitable conditions that our relaxations are tight (i.e., exactly compute the graph edit distance) when one of the graphs consists of few eigenvalues. We also validate the utility of our framework on synthetic problems as well as real applications involving molecular structure comparison problems in chemistry