On the limiting behavior of parameter-dependent network centrality measures

We consider a broad class of walk-based, parameterized node centrality measures for network analysis. These measures are expressed in terms of functions of the adjacency matrix and generalize various well-known centrality indices, including Katz and subgraph centrality. We show that the parameter can be "tuned" to interpolate between degree and eigenvector centrality, which appear as limiting cases. Our analysis helps explain certain correlations often observed between the rankings obtained using different centrality measures, and provides some guidance for the tuning of parameters. We also highlight the roles played by the spectral gap of the adjacency matrix and by the number of triangles in the network. Our analysis covers both undirected and directed networks, including weighted ones. A brief discussion of PageRank is also given.Comment: First 22 pages are the paper, pages 22-38 are the supplementary material

Approximation of functions of large matrices with Kronecker structure

We consider the numerical approximation of $f({\cal A})b$ where $b\in{\mathbb R}^{N}$ and $\cal A$ is the sum of Kronecker products, that is ${\cal A}=M_2 \otimes I + I \otimes M_1\in{\mathbb R}^{N\times N}$. Here $f$ is a regular function such that $f({\cal A})$ is well defined. We derive a computational strategy that significantly lowers the memory requirements and computational efforts of the standard approximations, with special emphasis on the exponential function, for which the new procedure becomes particularly advantageous. Our findings are illustrated by numerical experiments with typical functions used in applications

What is the meaning of the graph energy after all?

For a simple graph $G=(V,E)$ with eigenvalues of the adjacency matrix $\lambda_{1}\geq\lambda_{2}\geq\cdots\geq\lambda_{n}$, the energy of the graph is defined by $E(G)=\sum_{j=1}^{n}|\lambda_{j}|$. Myriads of papers have been published in the mathematical and chemistry literature about properties of this graph invariant due to its connection with the energy of (bipartite) conjugated molecules. However, a structural interpretation of this concept in terms of the contributions of even and odd walks, and consequently on the contribution of subgraphs, is not yet known. Here, we find such interpretation and prove that the (adjacency) energy of any graph (bipartite or not) is a weighted sum of the traces of even powers of the adjacency matrix. We then use such result to find bounds for the energy in terms of subgraphs contributing to it. The new bounds are studied for some specific simple graphs, such as cycles and fullerenes. We observe that including contributions from subgraphs of sizes not bigger than 6 improves some of the best known bounds for the energy, and more importantly gives insights about the contributions of specific subgraphs to the energy of these graphs

Edge modification criteria for enhancing the communicability of digraphs

We introduce new broadcast and receive communicability indices that can be used as global measures of how effectively information is spread in a directed network. Furthermore, we describe fast and effective criteria for the selection of edges to be added to (or deleted from) a given directed network so as to enhance these network communicability measures. Numerical experiments illustrate the effectiveness of the proposed techniques.Comment: 26 pages, 11 figures, 4 table

Atomic displacements due to spin–spin repulsion in conjugated alternant hydrocarbons

We develop a theoretical model to account for the spin-induced atomic displacements in conjugated alternant hydrocarbons. It appears to be responsible for an enlargement of the distance between pairs of atoms separated by two atoms and located at the end of linear polyenes. It also correlates very well with the bond dissociation enthalpies for the cleavage of the C–H bond as well as to the spin density at carbon atoms in both open and closed shell at graphene nanoflakes (GNFs). Finally, we have modified the Schrödinger equation to study the propagation of the spin-induced perturbations through the atoms of GNFs

Updating and downdating techniques for optimizing network communicability

The total communicability of a network (or graph) is defined as the sum of the entries in the exponential of the adjacency matrix of the network, possibly normalized by the number of nodes. This quantity offers a good measure of how easily information spreads across the network, and can be useful in the design of networks having certain desirable properties. The total communicability can be computed quickly even for large networks using techniques based on the Lanczos algorithm. In this work we introduce some heuristics that can be used to add, delete, or rewire a limited number of edges in a given sparse network so that the modified network has a large total communicability. To this end, we introduce new edge centrality measures which can be used to guide in the selection of edges to be added or removed. Moreover, we show experimentally that the total communicability provides an effective and easily computable measure of how "well-connected" a sparse network is.Comment: 20 pages, 9 pages Supplementary Materia

Some Preconditioning Techniques for Saddle Point Problems

Saddle point problems arise frequently in many applications in science and engineering, including constrained optimization, mixed finite element formulations of partial differential equations, circuit analysis, and so forth. Indeed the formulation of most problems with constraints gives rise to saddle point systems. This paper provides a concise overview of iterative approaches for the solution of such systems which are of particular importance in the context of large scale computation. In particular we describe some of the most useful preconditioning techniques for Krylov subspace solvers applied to saddle point problems, including block and constrained preconditioners.\ud \ud The work of Michele Benzi was supported in part by the National Science Foundation grant DMS-0511336

The Physics of Communicability in Complex Networks

A fundamental problem in the study of complex networks is to provide quantitative measures of correlation and information flow between different parts of a system. To this end, several notions of communicability have been introduced and applied to a wide variety of real-world networks in recent years. Several such communicability functions are reviewed in this paper. It is emphasized that communication and correlation in networks can take place through many more routes than the shortest paths, a fact that may not have been sufficiently appreciated in previously proposed correlation measures. In contrast to these, the communicability measures reviewed in this paper are defined by taking into account all possible routes between two nodes, assigning smaller weights to longer ones. This point of view naturally leads to the definition of communicability in terms of matrix functions, such as the exponential, resolvent, and hyperbolic functions, in which the matrix argument is either the adjacency matrix or the graph Laplacian associated with the network. Considerable insight on communicability can be gained by modeling a network as a system of oscillators and deriving physical interpretations, both classical and quantum-mechanical, of various communicability functions. Applications of communicability measures to the analysis of complex systems are illustrated on a variety of biological, physical and social networks. The last part of the paper is devoted to a review of the notion of locality in complex networks and to computational aspects that by exploiting sparsity can greatly reduce the computational efforts for the calculation of communicability functions for large networks.Comment: Review Article. 90 pages, 14 figures. Contents: Introduction; Communicability in Networks; Physical Analogies; Comparing Communicability Functions; Communicability and the Analysis of Networks; Communicability and Localization in Complex Networks; Computability of Communicability Functions; Conclusions and Prespective

Computation of generalized matrix functions

We develop numerical algorithms for the efficient evaluation of quantities associated with generalized matrix functions [J. B. Hawkins and A. Ben-Israel, Linear and Multilinear Algebra 1(2), 1973, pp. 163-171]. Our algorithms are based on Gaussian quadrature and Golub--Kahan bidiagonalization. Block variants are also investigated. Numerical experiments are performed to illustrate the effectiveness and efficiency of our techniques in computing generalized matrix functions arising in the analysis of networks.Comment: 25 paged, 2 figure