Percolation and connectivity in AB random geometric graphs

Given two independent Poisson point processes Phi((1)), Phi((2)) in R-d, the AB Poisson Boolean model is the graph with the points of Phi((1)) as vertices and with edges between any pair of points for which the intersection of balls of radius 2r centered at these points contains at least one point of Phi((2)). This is a generalization of the AB percolation model on discrete lattices. We show the existence of percolation for all d >= 2 and derive bounds fora critical intensity. We also provide a characterization for this critical intensity when d = 2. To study the connectivity problem, we consider independent Poisson point processes of intensities n and tau n in the unit cube. The AB random geometric graph is defined as above but with balls of radius r. We derive a weak law result for the largest nearest-neighbor distance and almost-sure asymptotic bounds for the connectivity threshold.

Incremental Cycle Detection, Topological Ordering, and Strong Component Maintenance

We present two online algorithms for maintaining a topological order of a directed n-vertex acyclic graph as arcs are added, and detecting a cycle when one is created. Our first algorithm handles m arc additions in O(m(3/2)) time. For sparse graphs (m/n = O(1)), this bound improves the best previous bound by a logarithmic factor, and is tight to within a constant factor among algorithms satisfying a natural locality property. Our second algorithm handles an arbitrary sequence of arc additions in O(n(5/2)) time. For sufficiently dense graphs, this bound improves the best previous bound by a polynomial factor. Our bound may be far from tight: we show that the algorithm can take Omega(n(2)2 root(2lgn)) time by relating its performance to a generalization of the k-levels problem of combinatorial geometry. A completely different algorithm running in Theta (n(2) log n) time was given recently by Bender, Fineman, and Gilbert. We extend both of our algorithms to the maintenance of strong components, without affecting the asymptotic time bounds.

Use of Vertex Index in Structure-Activity Analysis and Design of Molecules

The last few decades have witnessed application of graph theory and topological indices derived from molecular graph in structure-activity analysis. Such applications are based on regression and various multivariate analyses. Most of the topological indices are computed for the whole molecule and used as descriptors for explaining properties/activities of chemical compounds. However, some substructural descriptors in the form of topological distance based vertex indices have been found to be useful in identifying activity related substructures and in predicting pharmacological and toxicological activities of bioactive compounds. Another important aspect of drug discovery e. g. designing novel pharmaceutical candidates could also be done from the distance distribution associated with such vertex indices. In this article, we will review the development and applications of this approach both in activity prediction as well as in designing novel compounds.

Tight co-degree condition for perfect matchings in 4-graphs

We will give a tight minimum co-degree condition for a 4-uniform hypergraph to contain a perfect matching.

Acyclic Edge Coloring of Triangle-Free Planar Graphs

An acyclic edge coloring of a graph is a proper edge coloring such that there are no bichromatic cycles. The acyclic chromatic index of a graph is the minimum number k such that there is an acyclic edge coloring using k colors and is denoted by a'(G). It was conjectured by Alon, Sudakov and Zaks (and much earlier by Fiamcik) that a'(G) ? ? + 2, where ? = ?(G) denotes the maximum degree of the graph. If every induced subgraph H of G satisfies the condition |E(H)| ? 2|V(H)|-1, we say that the graph G satisfies Property A. In this article, we prove that if G satisfies Property A, then a'(G) ? ? + 3. Triangle-free planar graphs satisfy Property A. We infer that a'(G) ? ? + 3, if G is a triangle-free planar graph. Another class of graph which satisfies Property A is 2-fold graphs (union of two forests). (C) 2011 Wiley Periodicals, Inc. J Graph Theory

Computing Reeb Graphs as a Union of Contour Trees

The Reeb graph of a scalar function tracks the evolution of the topology of its level sets. This paper describes a fast algorithm to compute the Reeb graph of a piecewise-linear (PL) function defined over manifolds and non-manifolds. The key idea in the proposed approach is to maximally leverage the efficient contour tree algorithm to compute the Reeb graph. The algorithm proceeds by dividing the input into a set of subvolumes that have loop-free Reeb graphs using the join tree of the scalar function and computes the Reeb graph by combining the contour trees of all the subvolumes. Since the key ingredient of this method is a series of union-find operations, the algorithm is fast in practice. Experimental results demonstrate that it outperforms current generic algorithms by a factor of up to two orders of magnitude, and has a performance on par with algorithms that are catered to restricted classes of input. The algorithm also extends to handle large data that do not fit in memory.

Analysing modifica-tions in the synthesis of multiple state mechanical devices using configuration space and topology graphs

Automated synthesis of mechanical designs is an important step towards the development of an intelligent CAD system. Research into methods for supporting conceptual design using automated synthesis has attracted much attention in the past decades. In our research, ten experimental studies are conducted to find out how designers synthesize solution concepts for multi-state mechanical devices. The designers are asked to think aloud, while carrying out the synthesis. These design synthesis processes are video recorded. It has been found that modification of kinematic pairs and mechanisms is the major activity carried out by all the designers. This paper presents an analysis of these synthesis processes using configuration space and topology graph to identify and classify the types of modifications that take place. Understanding of these modification processes and the context in which they happened is crucial to develop a system for supporting design synthesis of multiple state mechanical devices that is capable of creating a comprehensive variety of solution alternatives.

Product Dimension of Forests and Bounded Treewidth Graphs

The product dimension of a graph G is defined as the minimum natural number l such that G is an induced subgraph of a direct product of l complete graphs. In this paper we study the product dimension of forests, bounded treewidth graphs and k-degenerate graphs. We show that every forest on n vertices has product dimension at most 1.441 log n + 3. This improves the best known upper bound of 3 log n for the same due to Poljak and Pultr. The technique used in arriving at the above bound is extended and combined with a well-known result on the existence of orthogonal Latin squares to show that every graph on n vertices with treewidth at most t has product dimension at most (t + 2) (log n + 1). We also show that every k-degenerate graph on n vertices has product dimension at most inverted right perpendicular5.545 k log ninverted left perpendicular + 1. This improves the upper bound of 32 k log n for the same by Eaton and Rodl.

Game theoretic, decentralized, local information based algorithm for community detection in social graphs

Motivated by the observation that communities in real world social networks form due to actions of rational individuals in networks, we propose a novel game theory inspired algorithm to determine communities in networks. The algorithm is decentralized and only uses local information at each node. We show the efficacy of the proposed algorithm through extensive experimentation on several real world social network data sets.

Hardness results for computing optimal locally Gabriel graphs

Delaunay and Gabriel graphs are widely studied geo-metric proximity structures. Motivated by applications in wireless routing, relaxed versions of these graphs known as Locally Delaunay Graphs (LDGs) and Lo-cally Gabriel Graphs (LGGs) have been proposed. We propose another generalization of LGGs called Gener-alized Locally Gabriel Graphs (GLGGs) in the context when certain edges are forbidden in the graph. Unlike a Gabriel Graph, there is no unique LGG or GLGG for a given point set because no edge is necessarily in-cluded or excluded. This property allows us to choose an LGG/GLGG that optimizes a parameter of interest in the graph. We show that computing an edge max-imum GLGG for a given problem instance is NP-hard and also APX-hard. We also show that computing an LGG on a given point set with dilation ≤k is NP-hard. Finally, we give an algorithm to verify whether a given geometric graph G= (V, E) is a valid LGG.

Solving MIN ONES 2-SAT as fast as VERTEX COVER

The problem of finding a satisfying assignment that minimizes the number of variables that are set to 1 is NP-complete even for a satisfiable 2-SAT formula. We call this problem MIN ONES 2-SAT. It generalizes the well-studied problem of finding the smallest vertex cover of a graph, which can be modeled using a 2-SAT formula with no negative literals. The natural parameterized version of the problem asks for a satisfying assignment of weight at most k. In this paper, we present a polynomial-time reduction from MIN ONES 2-SAT to VERTEX COVER without increasing the parameter and ensuring that the number of vertices in the reduced instance is equal to the number of variables of the input formula. Consequently, we conclude that this problem also has a simple 2-approximation algorithm and a 2k - c logk-variable kernel subsuming (or, in the case of kernels, improving) the results known earlier. Further, the problem admits algorithms for the parameterized and optimization versions whose runtimes will always match the runtimes of the best-known algorithms for the corresponding versions of vertex cover. Finally we show that the optimum value of the LP relaxation of the MIN ONES 2-SAT and that of the corresponding VERTEX COVER are the same. This implies that the (recent) results of VERTEX COVER version parameterized above the optimum value of the LP relaxation of VERTEX COVER carry over to the MIN ONES 2-SAT version parameterized above the optimum of the LP relaxation of MIN ONES 2-SAT. (C) 2013 Elsevier B.V. All rights reserved.

Bipartite Powers of k-chordal Graphs

Let k be an integer and k >= 3. A graph G is k-chordal if G does not have an induced cycle of length greater than k. From the definition it is clear that 3-chordal graphs are precisely the class of chordal graphs. Duchet proved that, for every positive integer m, if G m is chordal then so is G(m+2). Brandst `` adt et al. in Andreas Brandsadt, Van Bang Le, and Thomas Szymczak. Duchet- type theorems for powers of HHD- free graphs. Discrete Mathematics, 177(1- 3): 9- 16, 1997.] showed that if G m is k - chordal, then so is G(m+2). Powering a bipartite graph does not preserve its bipartitedness. In order to preserve the bipartitedness of a bipartite graph while powering Chandran et al. introduced the notion of bipartite powering. This notion was introduced to aid their study of boxicity of chordal bipartite graphs. The m - th bipartite power G(m]) of a bipartite graph G is the bipartite graph obtained from G by adding edges (u; v) where d G (u; v) is odd and less than or equal to m. Note that G(m]) = G(m+1]) for each odd m. In this paper we show that, given a bipartite graph G, if G is k-chordal then so is G m], where k, m are positive integers with k >= 4

Detecting symmetry in scalar fields using augmented extremum graphs

Visualizing symmetric patterns in the data often helps the domain scientists make important observations and gain insights about the underlying experiment. Detecting symmetry in scalar fields is a nascent area of research and existing methods that detect symmetry are either not robust in the presence of noise or computationally costly. We propose a data structure called the augmented extremum graph and use it to design a novel symmetry detection method based on robust estimation of distances. The augmented extremum graph captures both topological and geometric information of the scalar field and enables robust and computationally efficient detection of symmetry. We apply the proposed method to detect symmetries in cryo-electron microscopy datasets and the experiments demonstrate that the algorithm is capable of detecting symmetry even in the presence of significant noise. We describe novel applications that use the detected symmetry to enhance visualization of scalar field data and facilitate their exploration.

Role of Vertex Index in Substructure Identification and Activity Prediction: A Study on Antitubercular Activity of a Series of Acid Alkyl Ester Derivatives

Tuberculosis (TB) is a life threatening disease caused due to infection from Mycobacterium tuberculosis (Mtb). That most of the TB strains have become resistant to various existing drugs, development of effective novel drug candidates to combat this disease is a need of the day. In spite of intensive research world-wide, the success rate of discovering a new anti-TB drug is very poor. Therefore, novel drug discovery methods have to be tried. We have used a rule based computational method that utilizes a vertex index, named `distance exponent index (D-x)' (taken x = -4 here) for predicting anti-TB activity of a series of acid alkyl ester derivatives. The method is meant to identify activity related substructures from a series a compounds and predict activity of a compound on that basis. The high degree of successful prediction in the present study suggests that the said method may be useful in discovering effective anti-TB compound. It is also apparent that substructural approaches may be leveraged for wide purposes in computer-aided drug design.

Fixed-orientation equilateral triangle matching of point sets

Given a point set P and a class C of geometric objects, G(C)(P) is a geometric graph with vertex set P such that any two vertices p and q are adjacent if and only if there is some C is an element of C containing both p and q but no other points from P. We study G(del)(P) graphs where del is the class of downward equilateral triangles (i.e., equilateral triangles with one of their sides parallel to the x-axis and the corner opposite to this side below that side). For point sets in general position, these graphs have been shown to be equivalent to half-Theta(6) graphs and TD-Delaunay graphs. The main result in our paper is that for point sets P in general position, G(del)(P) always contains a matching of size at least vertical bar P vertical bar-1/3] and this bound is tight. We also give some structural properties of G(star)(P) graphs, where is the class which contains both upward and downward equilateral triangles. We show that for point sets in general position, the block cut point graph of G(star)(P) is simply a path. Through the equivalence of G(star)(P) graphs with Theta(6) graphs, we also derive that any Theta(6) graph can have at most 5n-11 edges, for point sets in general position. (C) 2013 Elsevier B.V. All rights reserved.