Maximal-entropy random walk unifies centrality measures

In this paper analogies between different (dis)similarity matrices are derived. These matrices, which are connected to path enumeration and random walks, are used in community detection methods or in computation of centrality measures for complex networks. The focus is on a number of known centrality measures, which inherit the connections established for similarity matrices. These measures are based on the principal eigenvector of the adjacency matrix, path enumeration, as well as on the stationary state, stochastic matrix or mean first-passage times of a random walk. Particular attention is paid to the maximal-entropy random walk, which serves as a very distinct alternative to the ordinary random walk used in network analysis. The various importance measures, defined both with the use of ordinary random walk and the maximal-entropy random walk, are compared numerically on a set of benchmark graphs. It is shown that groups of centrality measures defined with the two random walks cluster into two separate families. In particular, the group of centralities for the maximal-entropy random walk, connected to the eigenvector centrality and path enumeration, is strongly distinct from all the other measures and produces largely equivalent results.Comment: 7 pages, 2 figure

Approximations for the boundary crossing probabilities of moving sums of normal random variables

In this paper we study approximations for boundary crossing probabilities for the moving sums of i.i.d. normal random variables. We propose approximating a discrete time problem with a continuous time problem allowing us to apply developed theory for stationary Gaussian processes and to consider a number of approximations (some well known and some not). We bring particular attention to the strong performance of a newly developed approximation that corrects the use of continuous time results in a discrete time setting. Results of extensive numerical comparisons are reported. These results show that the developed approximation is very accurate even for small window length

Towards the ontology-based approach for factual information matching

Factual information is information based on facts or relating to facts. The reliability of automatically extracted facts is the main problem of processing factual information. The fact retrieval system remains one of the most effective tools for identifying the information for decision-making. In this work, we explore how can natural language processing methods and problem domain ontology help to check contradictions and mismatches in facts automatically

Complementarity and uncertainty in Mach-Zehnder interferometry and beyond

A coherent account of the connections and contrasts between the principles of complementarity and uncertainty is developed starting from a survey of the various formalizations of these principles. The conceptual analysis is illustrated by means of a set of experimental schemes based on Mach-Zehnder interferometry. In particular, path detection via entanglement with a probe system and (quantitative) quantum erasure are exhibited to constitute instances of joint unsharp, measurements of complementary pairs of physical quantities, path and interference observables. The analysis uses the representation of observables as positive-operator-valued measures (POVMs). The reconciliation of complementary experimental options in the sense of simultaneous unsharp preparations and measurements is expressed in terms of uncertainty relations of different kinds. The feature of complementarity, manifest in the present examples in the mutual exclusivity of path detection and interference observation, is recovered as a limit case from the appropriate uncertainty relation. It is noted that the complementarity and uncertainty principles are neither completely logically independent nor logical consequences of one another. Since entanglement is an instance of the uncertainty of quantum properties (of compound systems), it is moot to play out uncertainty and entanglement against each other as possible mechanisms enforcing complementarity. (c) 2006 Published by Elsevier B.V

Exploring the Free Energy Landscape: From Dynamics to Networks and Back

The knowledge of the Free Energy Landscape topology is the essential key to understand many biochemical processes. The determination of the conformers of a protein and their basins of attraction takes a central role for studying molecular isomerization reactions. In this work, we present a novel framework to unveil the features of a Free Energy Landscape answering questions such as how many meta-stable conformers are, how the hierarchical relationship among them is, or what the structure and kinetics of the transition paths are. Exploring the landscape by molecular dynamics simulations, the microscopic data of the trajectory are encoded into a Conformational Markov Network. The structure of this graph reveals the regions of the conformational space corresponding to the basins of attraction. In addition, handling the Conformational Markov Network, relevant kinetic magnitudes as dwell times or rate constants, and the hierarchical relationship among basins, complete the global picture of the landscape. We show the power of the analysis studying a toy model of a funnel-like potential and computing efficiently the conformers of a short peptide, the dialanine, paving the way to a systematic study of the Free Energy Landscape in large peptides.Comment: PLoS Computational Biology (in press

Entity Ranking on Graphs: Studies on Expert Finding

Todays web search engines try to offer services for finding various information in addition to simple web pages, like showing locations or answering simple fact queries. Understanding the association of named entities and documents is one of the key steps towards such semantic search tasks. This paper addresses the ranking of entities and models it in a graph-based relevance propagation framework. In particular we study the problem of expert finding as an example of an entity ranking task. Entity containment graphs are introduced that represent the relationship between text fragments on the one hand and their contained entities on the other hand. The paper shows how these graphs can be used to propagate relevance information from the pre-ranked text fragments to their entities. We use this propagation framework to model existing approaches to expert finding based on the entity's indegree and extend them by recursive relevance propagation based on a probabilistic random walk over the entity containment graphs. Experiments on the TREC expert search task compare the retrieval performance of the different graph and propagation models

Median evidential c-means algorithm and its application to community detection

Median clustering is of great value for partitioning relational data. In this paper, a new prototype-based clustering method, called Median Evidential C-Means (MECM), which is an extension of median c-means and median fuzzy c-means on the theoretical framework of belief functions is proposed. The median variant relaxes the restriction of a metric space embedding for the objects but constrains the prototypes to be in the original data set. Due to these properties, MECM could be applied to graph clustering problems. A community detection scheme for social networks based on MECM is investigated and the obtained credal partitions of graphs, which are more refined than crisp and fuzzy ones, enable us to have a better understanding of the graph structures. An initial prototype-selection scheme based on evidential semi-centrality is presented to avoid local premature convergence and an evidential modularity function is defined to choose the optimal number of communities. Finally, experiments in synthetic and real data sets illustrate the performance of MECM and show its difference to other methods