A majorization method for localizing graph topological indices

This paper presents a unified approach for localizing some relevant graph topological indices via majorization techniques. Through this method, old and new bounds are derived and numerical examples are provided, showing how former results in the literature could be improved.Comment: 11 page

Tur\'an Graphs, Stability Number, and Fibonacci Index

The Fibonacci index of a graph is the number of its stable sets. This parameter is widely studied and has applications in chemical graph theory. In this paper, we establish tight upper bounds for the Fibonacci index in terms of the stability number and the order of general graphs and connected graphs. Tur\'an graphs frequently appear in extremal graph theory. We show that Tur\'an graphs and a connected variant of them are also extremal for these particular problems.Comment: 11 pages, 3 figure

Two essays in computational optimization: computing the clar number in fullerene graphs and distributing the errors in iterative interior point methods

Fullerene are cage-like hollow carbon molecules graph of pseudospherical sym- metry consisting of only pentagons and hexagons faces. It has been the object of interest for chemists and mathematicians due to its widespread application in various fields, namely including electronic and optic engineering, medical sci- ence and biotechnology. A Fullerene molecular, Γ n of n atoms has a multiplicity of isomers which increases as N iso ∼ O(n 9 ). For instance, Γ 180 has 79,538,751 isomers. The Fries and Clar numbers are stability predictors of a Fullerene molecule. These number can be computed by solving a (possibly N P -hard) combinatorial optimization problem. We propose several ILP formulation of such a problem each yielding a solution algorithm that provides the exact value of the Fries and Clar numbers. We compare the performances of the algorithm derived from the proposed ILP formulations. One of this algorithm is used to find the Clar isomers, i.e., those for which the Clar number is maximum among all isomers having a given size. We repeated this computational experiment for all sizes up to 204 atoms. In the course of the study a total of 2 649 413 774 isomers were analyzed.The second essay concerns developing an iterative primal dual infeasible path following (PDIPF) interior point (IP) algorithm for separable convex quadratic minimum cost flow network problem. In each iteration of PDIPF algorithm, the main computational effort is solving the underlying Newton search direction system. We concentrated on finding the solution of the corresponding linear system iteratively and inexactly. We assumed that all the involved inequalities can be solved inexactly and to this purpose, we focused on different approaches for distributing the error generated by iterative linear solvers such that the convergences of the PDIPF algorithm are guaranteed. As a result, we achieved theoretical bases that open the path to further interesting practical investiga- tion

Kemeny's constant and Wiener index on trees

On trees of fixed order, we show a direct relation between Kemeny's constant and Wiener index, and provide a new formula of Kemeny's constant from the relation with a combinatorial interpretation. Moreover, the relation simplifies proofs of several known results for extremal trees in terms of Kemeny's constant for random walks on trees. Finally, we provide various families of co-Kemeny's mates, which are two non-isomorphic connected graphs with the same Kemeny's constant, and we also give a necessary condition for a tree to attain maximum Kemeny's constant for trees with fixed diameter

Generation, Ranking and Unranking of Ordered Trees with Degree Bounds

We study the problem of generating, ranking and unranking of unlabeled ordered trees whose nodes have maximum degree of $\Delta$. This class of trees represents a generalization of chemical trees. A chemical tree is an unlabeled tree in which no node has degree greater than 4. By allowing up to $\Delta$ children for each node of chemical tree instead of 4, we will have a generalization of chemical trees. Here, we introduce a new encoding over an alphabet of size 4 for representing unlabeled ordered trees with maximum degree of $\Delta$. We use this encoding for generating these trees in A-order with constant average time and O(n) worst case time. Due to the given encoding, with a precomputation of size and time O(n^2) (assuming $\Delta$ is constant), both ranking and unranking algorithms are also designed taking O(n) and O(nlogn) time complexities.Comment: In Proceedings DCM 2015, arXiv:1603.0053