The fields of statistical physics, discrete probability, combinatorics, and theoretical computer science have converged around efforts to understand random structures and algorithms. Recent activity in the interface of these fields has enabled tremendous breakthroughs in each domain and has supplied a new set of techniques for researchers approaching related problems. This thesis makes progress on several problems in this interface whose solutions all build on insights from multiple disciplinary perspectives. First, we consider a dynamic growth process arising in the context of DNA-based self-assembly. The assembly process can be modeled as a simple Markov chain. We prove that the chain is rapidly mixing for large enough bias in regions of Z^d. The proof uses a geometric distance function and a variant of path coupling in order to handle distances that can be exponentially large. We also provide the first results in the case of fluctuating bias, where the bias can vary depending on the location of the tile, which arises in the nanotechnology application. Moreover, we use intuition from statistical physics to construct a choice of the biases for which the Markov chain M_mon requires exponential time to converge. Second, we consider a related problem regarding the convergence rate of biased permutations that arises in the context of self-organizing lists. The Markov chain M_nn in this case is a nearest-neighbor chain that allows adjacent transpositions, and the rate of these exchanges is governed by various input parameters. It was conjectured that the chain is always rapidly mixing when the inversion probabilities are positively biased, i.e., we put nearest neighbor pair x<y in order with bias 1/2 <= p_{xy} <= 1 and out of order with bias 1-p_{xy}. The Markov chain M_mon was known to have connections to a simplified version of this biased card-shuffling. We provide new connections between M_nn and M_mon by using simple combinatorial bijections, and we prove that M_nn is always rapidly mixing for two general classes of positively biased {p_{xy}}. More significantly, we also prove that the general conjecture is false by exhibiting values for the p_{xy}, with 1/2 <= p_{xy} <= 1 for all x< y, but for which the transposition chain will require exponential time to converge. Finally, we consider a model of colloids, which are binary mixtures of molecules with one type of molecule suspended in another. It is believed that at low density typical configurations will be well-mixed throughout, while at high density they will separate into clusters. This clustering has proved elusive to verify, since all local sampling algorithms are known to be inefficient at high density, and in fact a new nonlocal algorithm was recently shown to require exponential time in some cases. We characterize the high and low density phases for a general family of discrete {it interfering binary mixtures} by showing that they exhibit a "clustering property' at high density and not at low density. The clustering property states that there will be a region that has very high area, very small perimeter, and high density of one type of molecule. Special cases of interfering binary mixtures include the Ising model at fixed magnetization and independent sets.

In 2010 Chung-Graham-Knuth proved an interesting symmetric identity for the Eulerian numbers and asked for a q-analog version. Using the q-Eulerian polynomials introduced by Shareshian-Wachs we find such a q-identity. Moreover, we provide a bijective proof that we further generalize to prove other symmetric qidentities using a combinatorial model due to Foata-Han. Meanwhile, Hyatt has introduced the colored Eulerian quasisymmetric functions to study the joint distribution of the excedance number and major index on colored permutations. Using the Decrease Value Theorem of Foata-Han we give a new proof of his main generating function formula for the colored Eulerian quasisymmetric functions. Furthermore, certain symmetric q-Eulerian identities are generalized and expressed as identities involving the colored Eulerian quasisymmetric functions. Next, generalizing the recent works of Savage-Visontai and Beck-Braun we investigate some q-descent polynomials of general signed multipermutations. The factorial and multivariate generating functions for these q-descent polynomials are obtained and the real rootedness results of some of these polynomials are given. Finally, we study the diagonal generating function of the Jacobi-Stirling numbers of the second kind by generalizing the analogous results for the Stirling and Legendre-Stirling numbers of the second kind. It turns out that the generating function is a rational function, whose numerator is a polynomial with nonnegative integral coefficients. By applying Stanley's theory of P-partitions we find combinatorial interpretations of those coefficients

Orientador: Fernando Eduardo Torres Orihuela / Dissertação (mestrado) - Universidade Estadual de Campinas, Instituto de Matemática Estatística e Computação Científica / Made available in DSpace on 2018-08-27T14:35:36Z (GMT). No. of bitstreams: 1 Paula_AnaRachelBritode_M.pdf: 1519694 bytes, checksum: 61b845f0f57e58e56f6a1f759fc9a382 (MD5) Previous issue date: 2015 / Resumo: A dissertação "Polinômios de Permutação e Palavras Balanceadas" tem como principal objetivo estudar a influência dos polinômios de permutação na teoria de códigos mediante o conceito de palavra balanceada. A base do trabalho é o artigo "Permutacion polynomials and aplications to coding theory" de Yann Laigke-Chapuy. Expomos os conceitos básicos de polinômios de permutação como algumas de suas características, exemplos e métodos para identificação dos mesmos. Em seguida trataremos dos códigos lineares com ênfase nos binários explorando particularmente a conjectura de Helleseth / Abstract: The main goal in writing this dissertation is the study of the influence of the Theory of Permutation Polynomials in the context of Coding Theory via the concept of balanced word. Our basic reference is the paper "Permutation polynomials and applications to coding theory" by Y. Laigke- Chapury. Our plan is to introduce the basic concepts in Coding Theory, Permutation Polynomials; then we mainly consider the long-standing open Helleseth¿s conjecture / Mestrado / Matematica Aplicada / Mestra em Matemática Aplicada

Nesta tese, introduzimos o conceito de sequência convergente de permutações e provamos a existência de um objeto limite para tais sequências. Introduzimos ainda um novo modelo de permutação aleatória baseado em tais objetos e introduzimos um conceito novo de distância entre permutações. Provamos então que sequências de permutações aleatórias são convergentes e provamos a equivalência entre esta noção de convergência e convergência nesta nova distância. Obtemos ainda resultados de amostragem e quase-aleatoriedade para permutações. Provamos também uma caracterização para parâmetros testáveis de permutações. / We introduce the concept of convergent sequence of permutations and we prove the existence of a limit object for these sequences. We also introduce a new and more general model of random permutation based on these limit objects and we introduce a new metric for permutations. We also prove that sequences of random permutations are convergent and we prove the equivalence between this notion of convergence and convergence in this new metric. We also show some applications for samplig and quasirandomness. We also prove a characterization for testable parameters of permutations.

Les travaux présentés dans cette thèse de doctorat relèvent de la combinatoire algébrique et de la théorie des groupes. Précisément, ils apportent une contribution au domaine de recherche qui étudie le comportement des profils des groupes oligomorphes.La première partie de ce manuscrit introduit la plupart des outils qui nous seront nécessaires, à commencer par des éléments de combinatoire et combinatoire algébrique.Nous présentons les fonctions de comptage à travers quelques exemples classiques, et nous motivons l'addition d'une structure d'algèbre graduée sur les objets énumérés dans le but d'étudier ces fonctions.Nous évoquons aussi les notions d'ordre et de treillis.Dans un second temps, nous donnons un aperçu des définitions et propriétés de base associées aux groupes de permutations, ainsi que quelques résultats de théorie des invariants. Nous terminons cette partie par une description de la méthode d'énumération de Pólya, qui permet de compter des objets sous une action de groupe.La deuxième partie est consacrée à l'introduction du domaine dans lequel s'inscrit cette thèse, celui de l'étude des profils de structures relationnelles, et en particulier des profils orbitaux. Si G est un groupe de permutations infini, son profil est la fonction de comptage qui envoie chaque entier n > 0 sur le nombre d'orbites de n-sous-ensembles, pour l'action induite de G sur les sous-ensembles finis d'éléments.Cameron a conjecturé que le profil de G est équivalent à un polynôme dès lors qu'il est borné par un polynôme. Une autre conjecture, plus forte, a été plus tard émise par Macpherson : elle implique une certaine structure d'algèbre graduée sur les orbites de sous-ensembles, créée par Cameron et baptisée algèbre des orbites, soutenant que si le profil est borné par un polynôme, alors l'algèbre des orbites est de type fini.Comme amorce de notre étude de ce problème, nous développons quelques exemples et faisons nos premiers pas vers une résolution en examinant les systèmes de blocs des groupes de profil borné par un polynôme --- que nous appelons P-oligomorphes ---,ainsi que la notion de sous-produit direct.La troisième partie démontre une classification des groupes P-oligomorphes, notre résultat le plus important et dont la conjecture de Macpherson se révèle un corollaire.Tout d'abord, nous étudions la combinatoire du treillis des systèmes de blocs,qui conduit à l'identification d'un système généralisé particulier, constituébde blocs ayant de bonnes propriétés. Nous abordons ensuite le cas particulier o`u il se limite à un seul bloc de blocs, pour lequel nous établissons une classification. La preuve emprunte à la notion de sous-produit direct pour gérer les synchronisations internes au groupe, et a requis une part d'exploration informatique afin d'être d'abord conjecturée.Dans le cas général, nous nous appuyons sur les résultats précédents et mettons en évidence la structure de G comme produit semi-direct impliquant son sous-groupe normal d'indice fini minimal et un groupe fini. Ceci permet de formaliser une classification complète des groupes P-oligomorphes,et d'en déduire la forme de l'algèbre des orbites : (à peu de choses près) une algèbre d'invariants explicite d'un groupe fini. Les conjectures de Macpherson et de Cameron en découlent, et plus généralement une compréhension exhaustive de ces groupes.L'annexe contient des extraits du code utilisé pour mener la preuve à bien,ainsi qu'un aperçu de celui qui a été produit en s'appuyant sur la nouvelle classification, qui permet de manipuler les groupes P-oligomorphes en usant d'une algorithmique adaptée. Enfin, nous joignons ici notre première preuve, plus faible, des deux conjectures. / This PhD thesis falls under the fields of algebraic combinatorics and group theory. Precisely,it brings a contribution to the domain that studies profiles of oligomorphic permutation groups and their behaviors.The first part of this manuscript introduces most of the tools that will be needed later on, starting with elements of combinatorics and algebraic combinatorics.We define counting functions through classical examples ; with a view of studying them, we argue the relevance of adding a graded algebra structure on the counted objects.We also bring up the notions of order and lattice.Then, we provide an overview of the basic definitions and properties related to permutation groups and to invariant theory. We end this part with a description of the Pólya enumeration method, which allows to count objects under a group action.The second part is dedicated to introducing the domain this thesis comes withinthe scope of. It dwells on profiles of relational structures,and more specifically orbital profiles.If G is an infinite permutation group, its profile is the counting function which maps any n > 0 to the number of orbits of n-subsets, for the inducedaction of G on the finite subsets of elements.Cameron conjectured that the profile of G is asymptotically equivalent to a polynomial whenever it is bounded by apolynomial.Another, stronger conjecture was later made by Macpherson : it involves a certain structure of graded algebra on the orbits of subsetscreated by Cameron, the orbit algebra, and states that if the profile of G is bounded by a polynomial, then its orbit algebra is finitely generated.As a start in our study of this problem, we develop some examples and get our first hints towards a resolution by examining the block systems ofgroups with profile bounded by a polynomial --- that we call P-oligomorphic ---, as well as the notion of subdirect product.The third part is the proof of a classification of P-oligomorphic groups,with Macpherson's conjecture as a corollary.First, we study the combinatorics of the lattice of block systems,which leads to identifying one special, generalized such system, that consists of blocks of blocks with good properties.We then tackle the elementary case when there is only one such block of blocks, for which we establish a classification. The proof borrows to the subdirect product concept to handle synchronizations within the group, and relied on an experimental approach on computer to first conjecture the classification.In the general case, we evidence the structure of a semi-direct product involving the minimal normal subgroup of finite index and some finite group.This allows to formalize a classification of all P-oligomorphic groups, the main result of this thesis, and to deduce the form of the orbit algebra: (little more than) an explicit algebra of invariants of a finite group. This implies the conjectures of Macpherson and Cameron, and a deep understanding of these groups.The appendix provides parts of the code that was used, and a glimpse at that resulting from the classification afterwards,that allows to manipulate P-oligomorphic groups by apropriate algorithmics. Last, we include our earlier (weaker) proof of the conjectures.

The central notion of this thesis is the minor relation on functions of several arguments. A function f: A^n→B is called a minor of another function g: A^m→B if f can be obtained from g by permutation of arguments, identification of arguments, and introduction of inessential arguments. We first provide some general background and context to this work by presenting a brief survey of basic facts and results concerning different aspects of the minor relation, placing some emphasis on the author’s contributions to the field. The notions of functions of several arguments and minors give immediately rise to the following reconstruction problem: Is a function f: A^n→B uniquely determined, up to permutation of arguments, by its identification minors, i.e., the minors obtained by identifying a pair of arguments? We review known results – both positive and negative – about the reconstructibility of functions from identification minors, and we outline the main ideas of the proofs, which often amount to formulating and solving reconstruction problems for other kinds of mathematical objects. We then turn our attention to functions determined by the order of first occurrence, and we are interested in the reconstructibility of such functions. One of the main results of this thesis states that the class of functions determined by the order of first occurrence is weakly reconstructible. Some reconstructible subclasses are identified; in particular, pseudo-Boolean functions determined by the order of first occurrence are reconstructible. As our main tool, we introduce the notion of minor of permutation. This is a quotient-like construction for permutations that parallels minors of functions and has some similarities to permutation patterns. We develop the theory of minors of permutations, focusing on Galois connections induced by the minor relation and on the interplay between permutation groups and minors of permutations. Our results will then find applications in the analysis of the reconstruction problem of functions determined by the order of first occurrence.

Ce manuscrit est consacré à l'étude de la combinatoire de deux algèbres de Hopf d'extraction-contraction. La première est l'algèbre de Hopf de mots tassés WMat introduite par Duchamp, Hoang-Nghia et Tanasa dont l'objectif était la construction d'un modèle de coproduit d'extraction-contraction pour les mots tassés. Nous expliquons certains sous-objets ou objets quotients ainsi que des applications vers d'autres algèbres de Hopf. Ainsi, nous considérons une algèbre de permutations dont le dual gradué possède un coproduit de déconcaténation par blocs et un produit de double battage décalé. Le double battage engendre la commutativité de l'algèbre qui est donc distincte de celle de Malvenuto et Reutenauer. Nous introduisons également une algèbre de Hopf engendrée par les mots tassés de la forme x₁...x₁. Elle est isomorphe à l'algèbre de Hopf des fonctions symétriques non commutatives. Son dual gradé est donc isomorphe à l'algèbre de Hopf des fonctions quasi-symétriques. Nous considérons également une algèbre de Hopf de compositions et donnons son interprétation en termes de coproduit semi-direct d'algèbres de Hopf. Le deuxième objet d'étude est l'algèbre de Hopf de diagrammes de dissection HD introduite par Dupont en théorie des nombres. Nous cherchons des éléments de réponse concernant la nature de sa cogèbre sous-jacente. Est-elle colibre ? La dimension des éléments primitifs de degré 3 ne permet pas de conclure. Le cas du degré 5 permet d'établir la non-coliberté dans le cas où le paramètre de HD vaut - 1. Nous étudions également la structure pré-Lie du dual gradué HD. Nous réduisons le champ de recherche à la sous-algèbre pré-Lie non triviale engendrée par le diagramme de dissection de degré 1. Cette algèbre pré-Lie n'est pas libre. / This thesis deals with the study of combinatorics of two Hopf algebras. The first one is the packed words Hopf algebra WMAT introduced by Duchamp, Hoang-Nghia, and Tanasa who wanted to build a coalgebra model for packed words by using a selection-quotient process. We describe certain sub-objects or quotient objects as well as maps to other Hopf algebras. We consider first a Hopf algebra of permutations. Its graded dual has a block deconcatenation coproduct and double shuffle product. The double shuffle product is commutative so the Hopf algebra is different from the Malvenuto and Reutenauer one. We analyze then the Hopf algebra generated by packed words looking like x₁...x₁. This Hopf algebra and non commutative symmetric functions are isomorphic. So its graded dual and quasi-symmetric functions are isomorphic too. Finally we consider a Hopf algebra of compositions an give its interpretation in terms of a semi-direct coproduct structure. The second objet we study is the Hopf algebra of dissection diagrams HD introduced by Dupont in number theory. We study the cofreedom problem. We can't conclude with homogeneous primitive elements of degree 3. With the degree 5 case, we can say that is not cofree with the parameter -1. We study the pre-Lie algebra structure of HD's graded dual too. We consider in particular the sup-pre-Lie algebra generated by the dissection diagram of degree 1. It is not a free pre-Lie algebra.

Nous avons développé un cryptosystème à clé symétrique hautement sécuritaire qui est basé sur un réseau de substitutions et de permutations. Il possède deux particularités importantes. Tout d'abord, il utilise de très grandes S-Boxes incompressibles dont la taille peut varier entre 256 Kb et 32 Gb bits d'entrée et qui sont générées aléatoirement. De plus, la phase de permutation est effectuée par un ensemble de fonctions linéaires choisies aléatoirement parmi toutes les fonctions linéaires possibles. Chaque fonction linéaire est appliquée sur tous les bits du bloc de message. Notre protocole possède donc une structure simple qui garantit l'absence de portes dérobées. Nous allons expliquer que notre cryptosystème résiste aux attaques actuellement connues telles que la cryptanalyse linéaire et la cryptanalyse différentielle. Il est également résistant à toute forme d'attaque basée sur un biais en faveur d'une fonction simple des S-Boxes. / We developed a new symmetric-key algorithm that is highly secure. Our algorithm is SPN-like but with two main particularities. First of all, we use very large random incompressible s-boxes. The input size of our s-boxes vary between 256 Kb and 32 Gb.Secondly, for the permutation part of the algorithm, we use a set of random linear functions chosen uniformly and randomly between every possible fonctions. The input of these functions is all the bits of the block of messages to encode. Our system has a very simple structure that guarantees that there are no trap doors in it. We will explain how our algorithm is resistant to the known attacks, such as linear and differential cryptanalysis. It is also resistant to any attack based on a bias of the s-boxes to a simple function.

Cette thèse porte sur la théorie des modèles des structures pseudo-finies en mettant l’accent sur les groupes et les corps. Le but est d'approfondir notre compréhension des interactions entre les dimensions de comptage pseudo-finies et les propriétés algébriques de leurs structures sous-jacentes, ainsi que de la classification de certaines classes de structures en fonction de leurs dimensions. Notre approche se fait par l'étude d'exemples. Nous avons examiné trois classes de structures. La première est la classe des H-structures, qui sont des expansions génériques. Nous avons donné une construction explicite de H-structures pseudo-finies comme ultraproduits de structures finies. Le deuxième exemple est la classe des corps aux différences finis. Nous avons étudié les propriétés de la dimension pseudo-finie grossière de cette classe. Nous avons montré qu'elle est définissable et prend des valeurs entières, et nous avons trouvé un lien partiel entre cette dimension et le degré de transcendance transformelle. Le troisième exemple est la classe des groupes de permutations primitifs pseudo-finis. Nous avons généralisé le théorème classique de classification de Hrushovski pour les groupes stables de permutations d'un ensemble fortement minimal au cas où une dimension abstraite existe, cas qui inclut à la fois les rangs classiques de la théorie des modèles et les dimensions de comptage pseudo-finies. Dans cette thèse, nous avons aussi généralisé le théorème de Schlichting aux sous-groupes approximatifs, en utilisant une notion de commensurabilité / This thesis is about the model theory of pseudofinite structures with the focus on groups and fields. The aim is to deepen our understanding of how pseudofinite counting dimensions can interact with the algebraic properties of underlying structures and how we could classify certain classes of structures according to their counting dimensions. Our approach is by studying examples. We treat three classes of structures: The first one is the class of H-structures, which are generic expansions of existing structures. We give an explicit construction of pseudofinite H-structures as ultraproducts of finite structures. The second one is the class of finite difference fields. We study properties of coarse pseudofinite dimension in this class, show that it is definable and integer-valued and build a partial connection between this dimension and transformal transcendence degree. The third example is the class of pseudofinite primitive permutation groups. We generalise Hrushovski's classical classification theorem for stable permutation groups acting on a strongly minimal set to the case where there exists an abstract notion of dimension, which includes both the classical model theoretic ranks and pseudofinite counting dimensions. In this thesis, we also generalise Schlichting's theorem for groups to the case of approximate subgroups with a notion of commensurability

Für die makroskopischen Eigenschaften und Funktionen biologisch relevanter Materie spielen schwache, intra- und intermolekulare Wechselwirkungen dispersiver und elektrostatischer Natur auf molekularem Niveau eine große Rolle. Um diese schwachen Wechselwirkungen zu untersuchen, können Modellsysteme, isoliert in der Gasphase, herangezogen werden. Benzoldimer, ein schwach gebundener Van der Waals Komplex, kann beispielsweise als Modellsystem für dispersive Wechselwirkungen dienen. In der vorliegenden Arbeit werden die strukturellen Eigenschaften und die (interne) Dynamik des Benzoldimers mit Hilfe spektroskopischer Methoden in den Energiebereichen der Rotationen, Vibrationen und elektronischen Übergänge untersucht und im Kontext der Symmetrie diskutiert. Die in dieser Arbeit vorgestellten Experimente tragen zu einem tieferen Verständnis des Benzoldimers bei, jedoch zeigt das Experiment zur internen Dynamik auch, dass eine ausreichende theoretische Beschreibung des Benzoldimers nach wie vor eine Herausforderung darstellt. Schwingungsübergänge hochsymmetrischer Moleküle sind oft optisch inaktiv, können jedoch mit der hier vorgestellten Methode der Symmetrieerniedrigung durch Komplexierung zugänglich gemacht werden, wie am Beispiel des Benzols demonstriert wird. Außerdem wird ein Mechanismus vorgstellt, der kollisionsinduzierte Konformationsänderungen in einem Molekularstrahl beschreibt. Dieses Modell kann generell für Molekularstrahlexperimente an flexiblen Molekülen hilfreich sein, einerseits um die beobachtete Konformationsverteilung zu verstehen, andererseits um die experimentellen Parameter gezielt zu verändern und somit Konformerpopulationen zu manipulieren. Die in dieser Dissertation vorgestellten spektroskopischen Experimente liefern einerseits molekülspezifische Informationen und ermöglichen andererseits, Modelle, die von allgemeiner Bedeutung sind, zu entwickeln. / The macroscopically observable properties and functionalities of biological matter are often determined by weak intra- and intermolecular interactions on the microscopic level. Such weak interactions are for example hydrogen bonding and van der Waals interactions and can be investigated best on isolated model systems in the gas phase. The benzene dimer, for example, is a prototype system to investgate dispersive interactions. The spectroscopic experiments, covering the energy ranges of rotations, vibrations and electronic transitions, presented in this thesis, contribute to a deeper understanding of the benzene dimer. However, from the experiments investigating the internal dynamics it becomes clear that an appropriate theoretical description of the benzene dimer is still a challenge. Vibrational transitions of highly symmetric molecules, as for example of the benzene, are often optically inactive. Here, a method is presented, which exploits symmetry reduction upon complexation and thus allows one to access such modes. Furthermore, a model is proposed describing collision induced conformational interconversion in a molecular beam. This model can be helpful for molecular beam experiments of flexible molecules to understand the observed relative conformational population and to adapt the experimental conditions allowing for the manipulation of the relative conformer abundances. In this thesis, results are presented that allow one on the one hand to deduce molecular specific information and that on the other hand also give a broader insight into phenomena of general importance.