Locating influential nodes via dynamics-sensitive centrality

With great theoretical and practical significance, locating influential nodes of complex networks is a promising issues. In this paper, we propose a dynamics-sensitive (DS) centrality that integrates topological features and dynamical properties. The DS centrality can be directly applied in locating influential spreaders. According to the empirical results on four real networks for both susceptible-infected-recovered (SIR) and susceptible-infected (SI) spreading models, the DS centrality is much more accurate than degree, $k$-shell index and eigenvector centrality.Comment: 6 pages, 1 table and 2 figure

Searching for superspreaders of information in real-world social media

A number of predictors have been suggested to detect the most influential spreaders of information in online social media across various domains such as Twitter or Facebook. In particular, degree, PageRank, k-core and other centralities have been adopted to rank the spreading capability of users in information dissemination media. So far, validation of the proposed predictors has been done by simulating the spreading dynamics rather than following real information flow in social networks. Consequently, only model-dependent contradictory results have been achieved so far for the best predictor. Here, we address this issue directly. We search for influential spreaders by following the real spreading dynamics in a wide range of networks. We find that the widely-used degree and PageRank fail in ranking users' influence. We find that the best spreaders are consistently located in the k-core across dissimilar social platforms such as Twitter, Facebook, Livejournal and scientific publishing in the American Physical Society. Furthermore, when the complete global network structure is unavailable, we find that the sum of the nearest neighbors' degree is a reliable local proxy for user's influence. Our analysis provides practical instructions for optimal design of strategies for "viral" information dissemination in relevant applications.Comment: 12 pages, 7 figure

MEDUSA - New Model of Internet Topology Using k-shell Decomposition

The k-shell decomposition of a random graph provides a different and more insightful separation of the roles of the different nodes in such a graph than does the usual analysis in terms of node degrees. We develop this approach in order to analyze the Internet's structure at a coarse level, that of the "Autonomous Systems" or ASes, the subnetworks out of which the Internet is assembled. We employ new data from DIMES (see http://www.netdimes.org), a distributed agent-based mapping effort which at present has attracted over 3800 volunteers running more than 7300 DIMES clients in over 85 countries. We combine this data with the AS graph information available from the RouteViews project at Univ. Oregon, and have obtained an Internet map with far more detail than any previous effort. The data suggests a new picture of the AS-graph structure, which distinguishes a relatively large, redundantly connected core of nearly 100 ASes and two components that flow data in and out from this core. One component is fractally interconnected through peer links; the second makes direct connections to the core only. The model which results has superficial similarities with and important differences from the "Jellyfish" structure proposed by Tauro et al., so we call it a "Medusa." We plan to use this picture as a framework for measuring and extrapolating changes in the Internet's physical structure. Our k-shell analysis may also be relevant for estimating the function of nodes in the "scale-free" graphs extracted from other naturally-occurring processes.Comment: 24 pages, 17 figure

Rapid Computation of Thermodynamic Properties Over Multidimensional Nonbonded Parameter Spaces using Adaptive Multistate Reweighting

We show how thermodynamic properties of molecular models can be computed over a large, multidimensional parameter space by combining multistate reweighting analysis with a linear basis function approach. This approach reduces the computational cost to estimate thermodynamic properties from molecular simulations for over 130,000 tested parameter combinations from over a thousand CPU years to tens of CPU days. This speed increase is achieved primarily by computing the potential energy as a linear combination of basis functions, computed from either modified simulation code or as the difference of energy between two reference states, which can be done without any simulation code modification. The thermodynamic properties are then estimated with the Multistate Bennett Acceptance Ratio (MBAR) as a function of multiple model parameters without the need to define a priori how the states are connected by a pathway. Instead, we adaptively sample a set of points in parameter space to create mutual configuration space overlap. The existence of regions of poor configuration space overlap are detected by analyzing the eigenvalues of the sampled states' overlap matrix. The configuration space overlap to sampled states is monitored alongside the mean and maximum uncertainty to determine convergence, as neither the uncertainty or the configuration space overlap alone is a sufficient metric of convergence. This adaptive sampling scheme is demonstrated by estimating with high precision the solvation free energies of charged particles of Lennard-Jones plus Coulomb functional form. We also compute entropy, enthalpy, and radial distribution functions of unsampled parameter combinations using only the data from these sampled states and use the free energies estimates to examine the deviation of simulations from the Born approximation to the solvation free energy