<p>Denote by $k_t(G)$ the number of cliques of order $t$ in a graph $G$ having $n$ vertices. Let $k_t(n) = \min\{k_t(G)+k_t(\overline{G}) \}$ where $\overline{G}$ denotes the complement of $G$. Let $c_t(n) = {k_t(n)}/{\tbinom{n}{t}}$ and $c_t$ be the limit of $c_t(n)$ for $n$ going to infinity. A 1962 conjecture of Erd\H{o}s stating that $c_t = 2^{1-\tbinom{t}{2}}$ was disproved by Thomason in 1989 for all $t\geq 4$. Tighter counterexamples have been constructed by Jagger, {\v S}{\v t}ov{\' \i}{\v c}ek and Thomason in 1996, by Thomason for $t\leq 6$ in 1997, and by Franek for $t=6$ in 2002. Further tightenings $t=6,7$ and $8$ was recently obtained by Deza, Franek, and Liu.</p> <p>We investigate the computational framework used by Deza, Franek, and Liu. In particular, we present the benefits and limitations of different parallel computer memory architectures and parallel programming models. We propose a functional decomposition approach which is implemented in C++ with POSIX thread (Pthread) libraries for multi-threading. Computational benchmarking on the parallelized framework and a performance analysis including a comparison with the original computational framework are presented.</p> / Master of Science (MSc)

Durant ces dernières années, l’utilisation de graphes a fait l’objet de nombreux travaux, notamment en bases de données, apprentissage automatique, bioinformatique et en analyse des réseaux sociaux. Particulièrement, la fouille de sous-graphes fréquents constitue un défi majeur dans le contexte de très grandes bases de graphes. De ce fait, il y a un besoin d’approches efficaces de passage à l’échelle pour la fouille de sous-graphes fréquents surtout avec la haute disponibilité des environnements de cloud computing. Cette thèse traite la fouille distribuée de sous-graphe fréquents sur cloud. Tout d’abord, nous décrivons le matériel nécessaire pour comprendre les notions de base de nos deux domaines de recherche, à savoir la fouille de sous-graphe fréquents et le cloud computing. Ensuite, nous présentons les contributions de cette thèse. Dans le premier axe, une nouvelle approche basée sur le paradigme MapReduce pour approcher la fouille de sous-graphes fréquents à grande échelle. L’approche proposée offre une nouvelle technique de partitionnement qui tient compte des caractéristiques des données et qui améliore le partitionnement par défaut de MapReduce. Une telle technique de partitionnement permet un équilibrage des charges de calcul sur une collection de machine distribuée et de remplacer la technique de partitionnement par défaut de MapReduce. Nous montrons expérimentalement que notre approche réduit considérablement le temps d’exécution et permet le passage à l’échelle du processus de fouille de sous-graphe fréquents à partir de grandes bases de graphes. Dans le deuxième axe, nous abordons le problème d’optimisation multi-critères des paramètres liés à l’extraction distribuée de sous-graphes fréquents dans un environnement de cloud tout en optimisant le coût monétaire global du stockage et l’interrogation des données dans le nuage. Nous définissons des modèles de coûts de gestion et de fouille de données avec une plateforme de fouille de sous-graphe à grande échelle sur une architecture cloud. Nous présentons une première validation expérimentale des modèles de coûts proposés. / Recently, graph mining approaches have become very popular, especially in certain domains such as bioinformatics, chemoinformatics and social networks. One of the most challenging tasks in this setting is frequent subgraph discovery. This task has been highly motivated by the tremendously increasing size of existing graph databases. Due to this fact, there is urgent need of efficient and scaling approaches for frequent subgraph discovery especially with the high availability of cloud computing environments. This thesis deals with distributed frequent subgraph mining in the cloud. First, we provide the required material to understand the basic notions of our two research fields, namely graph mining and cloud computing. Then, we present the contributions of this thesis. In the first axis, we propose a novel approach for large-scale subgraph mining, using the MapReduce framework. The proposed approach provides a data partitioning technique that consider data characteristics. It uses the densities of graphs in order to partition the input data. Such a partitioning technique allows a balanced computational loads over the distributed collection of machines and replace the default arbitrary partitioning technique of MapReduce. We experimentally show that our approach decreases significantly the execution time and scales the subgraph discovery process to large graph databases. In the second axis, we address the multi-criteria optimization problem of tuning thresholds related to distributed frequent subgraph mining in cloud computing environments while optimizing the global monetary cost of storing and querying data in the cloud. We define cost models for managing and mining data with a large scale subgraph mining framework over a cloud architecture. We present an experimental validation of the proposed cost models in the case of distributed subgraph mining in the cloud.

Le Théorème des Quatre Couleurs, conjecturé en 1852 et prouvé en 1976, est à l'origine de l'étude des partitions des sommets de graphes peu denses. Il affirme que toute carte plane peut être coloriée avec au plus quatre couleurs différentes, de telle manière que deux régions qui partagent une frontière aient des couleurs différentes. Énoncé en terme de théorie des graphes, cela veut dire que tout graphe planaire, c'est à dire tout graphe qui peut être représenté dans le plan sans que deux arêtes ne se croisent, peut voir son ensemble de sommets partitionné en quatre ensembles tels que chacun de ces ensembles ne contient pas les deux extrémités d'une même arête. Une telle partition est appelée une coloration propre en quatre couleurs. Dans cette thèse, on s'intéresse à l'étude de la structure des graphes peu denses, selon différentes notions de densité. D'une part, on étudie les graphes planaires sans petits cycles, et d'autre part les graphes dont tous les sous-graphes ont un degré moyen peu élevé. Pour ces classes de graphes, on recherche tout d'abord le plus petit nombre de sommets à retirer pour obtenir une forêt, c'est à dire un graphe sans cycles. Cela peut être vu comme une partition des sommets du graphe en un ensemble induisant une forêt et un ensemble de sommets contenant au plus une fraction donnée des sommets du graphe. La motivation première de cette étude est une conjecture d'Albertson et Berman (1976) comme quoi tout graphe planaire admettrait une telle partition où la forêt contient au moins la moitié des sommets du graphe. Dans un second temps, on s'intéresse aux partitions des sommets de ces graphes en deux ensembles, tels que les sous-graphes induits par ces deux ensembles ont des propriétés particulières. Par exemple, ces sous-graphes peuvent être des graphes sans arêtes, des forêts, des graphes de degré borné, ou des graphes dont les composantes connexes ont un nombre borné de sommets. Ces partitions des sommets sont des extensions de la notion de coloration propre de graphe.On montre, pour différentes classes de graphes peu denses, que tous les graphes de ces classes admettent de telles partitions. On s'intéresse également aux aspect algorithmiques de la construction de telles partitions. / The study of vertex partitions of planar graphs was initiated by the Four Colour Theorem, which was conjectured in 1852, and proven in 1976. According to that theorem, one can colour the regions of any planar map by using only four colours, in such a way that any two regions sharing a border have distinct colours. In terms of graph theory, it can be reformulated this way: the vertex set of every planar graph, i.e. every graph that can be represented in the plane such that edges do not cross, can be partitioned into four sets such that no edge has its two endpoints in the same set. Such a partition is called a proper colouring of the graph.In this thesis, we look into the structure of sparse graphs, according to several notions of sparsity. On the one hand, we consider planar graphs with no small cycles, and on the other hand, we consider the graphs where every subgraph has bounded average degree.For these classes of graphs, we first look for the smallest number of vertices that can be removed such that the remaining graph is a forest, that is a graph with no cycles. That can be seen as a partition of the vertices of the graph into a set inducing a forest and a set with a bounded fraction of the vertices of the graph. The main motivation for this study is a the Albertson and Berman Conjecture (1976), which states that every planar graph admits an induced forest containing at least one half of its vertices.We also look into vertex partition of sparse graphs into two sets both inducing a subgraph with some specific prescribed properties. Exemples of such properties can be that they have no edges, or no cycles, that they have bounded degree, or that they have bounded components. These vertex partitions generalise the notion of proper colouring. We show, for different classes of sparse graphs, that every graph in those classes have some specific vertex partition. We also look into algorithmic aspects of these partitions.

Recently, graph mining approaches have become very popular, especially in certain domains such as bioinformatics, chemoinformatics and social networks. One of the most challenging tasks in this setting is frequent subgraph discovery. This task has been highly motivated by the tremendously increasing size of existing graph databases. Due to this fact, there is urgent need of efficient and scaling approaches for frequent subgraph discovery especially with the high availability of cloud computing environments. This thesis deals with distributed frequent subgraph mining in the cloud. First, we provide the required material to understand the basic notions of our two research fields, namely graph mining and cloud computing. Then, we present the contributions of this thesis. In the first axis, we propose a novel approach for large-scale subgraph mining, using the MapReduce framework. The proposed approach provides a data partitioning technique that consider data characteristics. It uses the densities of graphs in order to partition the input data. Such a partitioning technique allows a balanced computational loads over the distributed collection of machines and replace the default arbitrary partitioning technique of MapReduce. We experimentally show that our approach decreases significantly the execution time and scales the subgraph discovery process to large graph databases. In the second axis, we address the multi-criteria optimization problem of tuning thresholds related to distributed frequent subgraph mining in cloud computing environments while optimizing the global monetary cost of storing and querying data in the cloud. We define cost models for managing and mining data with a large scale subgraph mining framework over a cloud architecture. We present an experimental validation of the proposed cost models in the case of distributed subgraph mining in the cloud.

XAVIER, Alinson Santos. Geração de Facetas para Politopos de Conjuntos Independentes. 2011. 141 f. : Dissertação (mestrado) - Universidade Federal do Ceará, Centro de Ciências, Departamento de Computação, Fortaleza-CE, 2011. / Submitted by guaracy araujo (guaraa3355@gmail.com) on 2016-05-23T19:04:42Z No. of bitstreams: 1 2011_dis_asxavier.pdf: 1098827 bytes, checksum: b69a55ab904901d692a7afbf26cfbb04 (MD5) / Approved for entry into archive by guaracy araujo (guaraa3355@gmail.com) on 2016-05-23T19:10:07Z (GMT) No. of bitstreams: 1 2011_dis_asxavier.pdf: 1098827 bytes, checksum: b69a55ab904901d692a7afbf26cfbb04 (MD5) / Made available in DSpace on 2016-05-23T19:10:07Z (GMT). No. of bitstreams: 1 2011_dis_asxavier.pdf: 1098827 bytes, checksum: b69a55ab904901d692a7afbf26cfbb04 (MD5) Previous issue date: 2011 / A stable set of a graph is a set of pairwise non-adjacent vertices. The maximum stable set problem is to find a stable set of maximum cardinality in a given graph. The maximum induced k-partite subgraph problem is to find k stable sets such that their union has maximum cardinality. Besides having applications in various fields, including computer vision, molecular biology and VLSI circuit design, these problems also model other important combinatorial problems, such as set packing and vertex coloring. In the present work, we study the facial structure of the polytopes associated with both problems. First, we describe a new facet generating procedure for the stable set polytope, which unifies and subsumes several previous procedures. Besides generating many well-known facet inducing inequalities, this procedure can also generate new facet-inducing inequalities which have not been previously described. Then, we study the maximum induced k-partite polytope formulated by asymmetric representatives. We describe its simplest facets, show that some of its facets arise from vertex induced subgraphs, and identify two classes of subgraphs which generate facets of the polytope. To reach these main results, we study the affine equivalence between polyhedra, and also develop a new facet generating procedure for general polyhedra which subsumes the many versions of the lifting of variables. / Um conjunto independente de um grafo é um subconjunto de vértices que não contém nenhum par de vértices vizinhos. O problema do maior conjunto independente consiste em encontrar um conjunto independente de cardinalidade máxima. O problema do maior subgrafo induzido k-partido consiste em encontrar k conjuntos independentes cuja união tenha cardinalidade máxima. Além de possuírem aplicação em diversas áreas, como visão computacional, biologia molecular e projeto de circuitos integrados, estes problemas também modelam outros problemas de otimização combinatória, como empacotamento de conjuntos e coloração de vértices. Neste trabalho, estudamos os politopos associados aos dois problemas. Primeiro, descrevemos um novo procedimento de geração de facetas para o politopo de conjuntos independentes, que unifica e generaliza diversos procedimentos anteriores. Além de gerar várias classes de desigualdades indutoras de facetas já conhecidas, este procedimento também gera novas desigualdades que ainda não foram descritas na literatura. Em seguida, estudamos o politopo do subgrafo induzido k-partido associado à formulação por representantes de cor. Identificamos suas facetas mais simples, mostramos que facetas podem ser geradas a partir de subgrafos induzidos, e descrevemos duas classes de subgrafos que geram facetas deste politopo. Para obter os principais resultados desta dissertação, fazemos um estudo da relação de afim-isomorfismo entre poliedros, e desenvolvemos um novo procedimento de conversão de faces em facetas que generaliza as diversas versões do procedimento de levantamento de variáveis.

O problema do Máximo Subgrafo Induzido Comum (MSIC) pertence a classe NP-difícil e possui aplicações em diversas áreas. Apesar de sua complexidade, ainda é importante conhecer soluções exatas para instâncias deste problema. Os algoritmos exatos encontrados na literatura buscam resolvê-lo através de técnicas de backtracking ou através de sua redução para o problema da Clique Máxima. Neste trabalho procuramos dar uma solução exata para o MSIC, tratando-o diretamente através da utilização de modelos de Programação Linear Inteira (PLI) e técnicas de combinatória poliédrica. Assim, realizamos um estudo teórico do poliedro do MSIC e fomos capazes de encontrar algumas desigualdades válidas fortes, inclusive com provas de que algumas delas representam facetas daquele poliedro. Adicionalmente, provamos que existe uma equivalâencia entre o modelo PLI aqui apresentado para o MSIC e uma formulação bem conhecida para o problema da Clique Máxima. Posteriormente, foram implementados algoritmos de Branch-and-Bound (B&B) e Branch-and-Cut (B&C) utilizando as desigualdades encontradas e algumas técnicas para tentar tornar os algoritmos mais eficientes. Experimentos foram executados com os algoritmos implementados neste trabalho e, também, com um algoritmo já existente para resolver o problema da Clique, chamado Cliquer. Os resultados foram comparados e, dentre os algoritmos de PLI, constatamos que o mais eficiente foi aquele que utilizou uma formulação para o MSIC que chamamos de Clique-IS, utilizando B&B e técnicas mais básicas que outros algoritmos. Este algoritmo mostrou-se mais eficiente, inclusive, que um algoritmo PLI com um modelo baseado no problema da Clique Máaxima. Este fato sugere que para uma abordagem baseada em PLI, vale a pena utilizar uma formulação do MSIC diretamente, ao invés de uma que se apóie na redução deste para o problema da Clique Máxima. Ja a comparaçao do melhor algoritmo desenvolvido neste trabalho com o Cliquer, mostrou que este último é mais eficiente. Para que um algoritmo baseado em PLI (utilizando uma formulação com as mesmas variáveis usadas por nós) tivesse alguma chance de vencer um algoritmo combinatório como o Cliquer, seria necessário conhecer mais desigualdades que estivessem ativas na solução ótima do problema._________________________________________________________________________________________ ABSTRACT: The Maximum Common Subgraph problem (MSIC) is in MV-hard and has applications in several fields. Despite its complexity, it is still important to know exact solutions for instances of this problem. The exact algorithms found in literature try to solve it through backtracking techniques or through its reduction to the Maximum Clique problem. In this work we try to give an exact solution to MSIC by addressing it directly, using Linear Integer Programming (PLI) and polyhedral combinatorics techniques. So, we performed a study of the MSIC polyhedron and we were able to find some strong valid inequalities, including some that were proven to define facets of that polyhedron. Additionally, we proved that an equivalence between the PLI model presented here for MSIC and a well known formulation for the Maximum Clique problem exists. Later, Branch-and-Bound (B&B) and Branch-and-Cut (B&C) algorithms were implemented using the inequalities found and some techniques to try to render the algorithms more efficient. Experiments were performed with the algorithms implemented in this work and, also, with an already existing algorithm to solve the Maximum Clique problem, called Cliquer. The results were compared and, among the PLI algorithms, we found that the most efficient was the one that used the formulation which we called Clique-IS, using B&B and more basic techniques than other algorithms. This algorithm was even more efficient than a PLI algorithm with a Clique-based model. This fact suggests that for a PLI approach it is worth to use a formulation based on the MSIC polyhedron instead of one based on its reduction to the Maximum Clique problem. The comparison of the best algorithm developed in this work with Cliquer, though, showed that the latest is more efficient. In order to some PLI-based algorithm (using a formulation with the same variables used by us) to have any chance of outperforming a combinatorial algorithm like Cliquer, it would be necessary to know more inequalities that are active in the problem's optimal solution.

Orientador: Cid Carvalho de Souza / Dissertação (mestrado) - Universidade Estadual de Campinas, Instituto de Computação / Made available in DSpace on 2018-08-15T07:24:38Z (GMT). No. of bitstreams: 1 Piva_Breno_M.pdf: 1251793 bytes, checksum: bf559620a7bdefeec032b5c87d196b5b (MD5) Previous issue date: 2009 / Resumo: O problema do Máximo Subgrafo Induzido Comum (MSIC) pertence a classe NP-difícil e possui aplicações em diversas áreas. Apesar de sua complexidade, ainda é importante conhecer soluções exatas para instâncias deste problema. Os algoritmos exatos encontrados na literatura buscam resolvê-lo através de técnicas de backtracking ou através de sua redução para o problema da Clique Máxima. Neste trabalho procuramos dar uma solução exata para o MSIC, tratando-o diretamente através da utilização de modelos de Programação Linear Inteira (PLI) e técnicas de combinatória poliédrica. Assim, realizamos um estudo teórico do poliedro do MSIC e fomos capazes de encontrar algumas desigualdades válidas fortes, inclusive com provas de que algumas delas representam facetas daquele poliedro. Adicionalmente, provamos que existe uma equivalâencia entre o modelo PLI aqui apresentado para o MSIC e uma formulação bem conhecida para o problema da Clique Máxima. Posteriormente, foram implementados algoritmos de Branch-and-Bound (B&B) e Branch-and-Cut (B&C) utilizando as desigualdades encontradas e algumas técnicas para tentar tornar os algoritmos mais eficientes. Experimentos foram executados com os algoritmos implementados neste trabalho e, também, com um algoritmo já existente para resolver o problema da Clique, chamado Cliquer. Os resultados foram comparados e, dentre os algoritmos de PLI, constatamos que o mais eficiente foi aquele que utilizou uma formulação para o MSIC que chamamos de Clique-IS, utilizando B&B e técnicas mais básicas que outros algoritmos. Este algoritmo mostrou-se mais eficiente, inclusive, que um algoritmo PLI com um modelo baseado no problema da Clique Máaxima. Este fato sugere que para uma abordagem baseada em PLI, vale a pena utilizar uma formulação do MSIC diretamente, ao invés de uma que se apóie na redução deste para o problema da Clique Máxima. Ja a comparaçao do melhor algoritmo desenvolvido neste trabalho com o Cliquer, mostrou que este último é mais eficiente. Para que um algoritmo baseado em PLI (utilizando uma formulação com as mesmas variáveis usadas por nós) tivesse alguma chance de vencer um algoritmo combinatório como o Cliquer, seria necessário conhecer mais desigualdades que estivessem ativas na solução ótima do problema / Abstract: The Maximum Common Subgraph problem (MSIC) is in MV-hard and has applications in several fields. Despite its complexity, it is still important to know exact solutions for instances of this problem. The exact algorithms found in literature try to solve it through backtracking techniques or through its reduction to the Maximum Clique problem. In this work we try to give an exact solution to MSIC by addressing it directly, using Linear Integer Programming (PLI) and polyhedral combinatorics techniques. So, we performed a study of the MSIC polyhedron and we were able to find some strong valid inequalities, including some that were proven to define facets of that polyhedron. Additionally, we proved that an equivalence between the PLI model presented here for MSIC and a well known formulation for the Maximum Clique problem exists. Later, Branch-and-Bound (B&B) and Branch-and-Cut (B&C) algorithms were implemented using the inequalities found and some techniques to try to render the algorithms more efficient. Experiments were performed with the algorithms implemented in this work and, also, with an already existing algorithm to solve the Maximum Clique problem, called Cliquer. The results were compared and, among the PLI algorithms, we found that the most efficient was the one that used the formulation which we called Clique-IS, using B&B and more basic techniques than other algorithms. This algorithm was even more efficient than a PLI algorithm with a Clique-based model. This fact suggests that for a PLI approach it is worth to use a formulation based on the MSIC polyhedron instead of one based on its reduction to the Maximum Clique problem. The comparison of the best algorithm developed in this work with Cliquer, though, showed that the latest is more efficient. In order to some PLI-based algorithm (using a formulation with the same variables used by us) to have any chance of outperforming a combinatorial algorithm like Cliquer, it would be necessary to know more inequalities that are active in the problem's optimal solution / Mestrado / Otimização Combinatoria / Mestre em Ciência da Computação

Conselho Nacional de Desenvolvimento CientÃfico e TecnolÃgico / Um conjunto independente de um grafo à um subconjunto de vÃrtices que nÃo contÃm nenhum par de vÃrtices vizinhos. O problema do maior conjunto independente consiste em encontrar um conjunto independente de cardinalidade mÃxima. O problema do maior subgrafo induzido k-partido consiste em encontrar k conjuntos independentes cuja uniÃo tenha cardinalidade mÃxima. AlÃm de possuÃrem aplicaÃÃo em diversas Ãreas, como visÃo computacional, biologia molecular e projeto de circuitos integrados, estes problemas tambÃm modelam outros problemas de otimizaÃÃo combinatÃria, como empacotamento de conjuntos e coloraÃÃo de vÃrtices. Neste trabalho, estudamos os politopos associados aos dois problemas. Primeiro, descrevemos um novo procedimento de geraÃÃo de facetas para o politopo de conjuntos independentes, que unifica e generaliza diversos procedimentos anteriores. AlÃm de gerar vÃrias classes de desigualdades indutoras de facetas jà conhecidas, este procedimento tambÃm gera novas desigualdades que ainda nÃo foram descritas na literatura. Em seguida, estudamos o politopo do subgrafo induzido k-partido associado à formulaÃÃo por representantes de cor. Identificamos suas facetas mais simples, mostramos que facetas podem ser geradas a partir de subgrafos induzidos, e descrevemos duas classes de subgrafos que geram facetas deste politopo. Para obter os principais resultados desta dissertaÃÃo, fazemos um estudo da relaÃÃo de afim-isomorfismo entre poliedros, e desenvolvemos um novo procedimento de conversÃo de faces em facetas que generaliza as diversas versÃes do procedimento de levantamento de variÃveis. / A stable set of a graph is a set of pairwise non-adjacent vertices. The maximum stable set problem is to find a stable set of maximum cardinality in a given graph. The maximum induced k-partite subgraph problem is to find k stable sets such that their union has maximum cardinality. Besides having applications in various fields, including computer vision, molecular biology and VLSI circuit design, these problems also model other important combinatorial problems, such as set packing and vertex coloring. In the present work, we study the facial structure of the polytopes associated with both problems. First, we describe a new facet generating procedure for the stable set polytope, which unifies and subsumes several previous procedures. Besides generating many well-known facet inducing inequalities, this procedure can also generate new facet-inducing inequalities which have not been previously described. Then, we study the maximum induced k-partite polytope formulated by asymmetric representatives. We describe its simplest facets, show that some of its facets arise from vertex induced subgraphs, and identify two classes of subgraphs which generate facets of the polytope. To reach these main results, we study the affine equivalence between polyhedra, and also develop a new facet generating procedure for general polyhedra which subsumes the many versions of the lifting of variables.

This thesis deals with the problem of searching of structures in large chemical compounds databases. The aim is to design and implement an efficient system that supports two basic types of search, which are identity and substructure search. This task is complicated not only by the large number of entries in databases but also by graph representation of chemical structures, for which many algorithms are hard to solve. The thesis will introduce concepts which will prove useful in solving these problems. A web service is also created as a part of the thesis in order to make the database searching available to the users.

<p>Turniri su najvi&scaron;e istraživana klasa orijentisanih grafova. U tezi su prezentovana dva tipa rezultata. Prvi se odnosi na tzv. neizbežne podgrafove. Obuhvata Hamiltonove bajpase, podgrafove C(<em>n, i</em>) i alternativne Hamiltonove konture. Drugi se bavi problemima frekvencija skorova u običnim, bipartitnim i 3-partitnim turnirima.</p> / <p>Tournaments are the most investigated class of oriented graphs. Two type of results are presented in the thesis. First one is related to so called unavoidable subgraphs. It discusses Hamiltonian bypasses, subgraphs C(n, i) and antidirected Hamiltonian cycles. The second deals with problems of score frequencies in ordinary, bipartite and 3-partite tournaments.</p>