Graph algorithms for bioinformatics

Biological data are inherently interconnected: protein sequences are connected to their annotations, the annotations are structured into ontologies, and so on. While protein-protein interactions are already represented by graphs, in this work I am presenting how a graph structure can be used to enrich the annotation of protein sequences thanks to algorithms that analyze the graph topology. We also describe a novel solution to restrict the data generation needed for building such a graph, thanks to constraints on the data and dynamic programming. The proposed algorithm ideally improves the generation time by a factor of 5. The graph representation is then exploited to build a comprehensive database, thanks to the rising technology of graph databases. While graph databases are widely used for other kind of data, from Twitter tweets to recommendation systems, their application to bioinformatics is new. A graph database is proposed, with a structure that can be easily expanded and queried.

Studies in graph algorithms : generation and labeling problems /

Thesis--Illinois.

Approximation Algorithms for Network Design and Orienteering

This thesis presents approximation algorithms for some NP-Hard combinatorial optimization problems on graphs and networks; in particular, we study problems related to Network Design. Under the widely-believed complexity-theoretic assumption that P is not equal to NP, there are no efficient (i.e., polynomial-time) algorithms that solve these problems exactly. Hence, if one desires efficient algorithms for such problems, it is necessary to consider approximate solutions: An approximation algorithm for an NP-Hard problem is a polynomial time algorithm which, for any instance of the problem, finds a solution whose value is guaranteed to be within a multiplicative factor of the value of an optimal solution to that instance. We attempt to design algorithms for which this factor, referred to as the approximation ratio of the algorithm, is as small as possible. The field of Network Design comprises a large class of problems that deal with constructing networks of low cost and/or high capacity, routing data through existing networks, and many related issues. In this thesis, we focus chiefly on designing fault-tolerant networks. Two vertices u,v in a network are said to be k-edge-connected if deleting any set of k − 1 edges leaves u and v connected; similarly, they are k-vertex connected if deleting any set of k − 1 other vertices or edges leaves u and v connected. We focus on building networks that are highly connected, meaning that even if a small number of edges and nodes fail, the remaining nodes will still be able to communicate. A brief description of some of our results is given below. We study the problem of building 2-vertex-connected networks that are large and have low cost. Given an n-node graph with costs on its edges and any integer k, we give an O(log n log k) approximation for the problem of finding a minimum-cost 2-vertex-connected subgraph containing at least k nodes. We also give an algorithm of similar approximation ratio for maximizing the number of nodes in a 2-vertex-connected subgraph subject to a budget constraint on the total cost of its edges. Our algorithms are based on a pruning process that, given a 2-vertex-connected graph, finds a 2-vertex-connected subgraph of any desired size and of density comparable to the input graph, where the density of a graph is the ratio of its cost to the number of vertices it contains. This pruning algorithm is simple and efficient, and is likely to find additional applications. Recent breakthroughs on vertex-connectivity have made use of algorithms for element-connectivity problems. We develop an algorithm that, given a graph with some vertices marked as terminals, significantly simplifies the graph while preserving the pairwise element-connectivity of all terminals; in fact, the resulting graph is bipartite. We believe that our simplification/reduction algorithm will be a useful tool in many settings. We illustrate its applicability by giving algorithms to find many trees that each span a given terminal set, while being disjoint on edges and non-terminal vertices; such problems have applications in VLSI design and other areas. We also use this reduction algorithm to analyze simple algorithms for single-sink network design problems with high vertex-connectivity requirements; we give an O(k log n)-approximation for the problem of k-connecting a given set of terminals to a common sink. We study similar problems in which different types of links, of varying capacities and costs, can be used to connect nodes; assuming there are economies of scale, we give algorithms to construct low-cost networks with sufficient capacity or bandwidth to simultaneously support flow from each terminal to the common sink along many vertex-disjoint paths. We further investigate capacitated network design, where edges may have arbitrary costs and capacities. Given a connectivity requirement R_uv for each pair of vertices u,v, the goal is to find a low-cost network which, for each uv, can support a flow of R_uv units of traffic between u and v. We study several special cases of this problem, giving both algorithmic and hardness results. In addition to Network Design, we consider certain Traveling Salesperson-like problems, where the goal is to find short walks that visit many distinct vertices. We give a (2 + epsilon)-approximation for Orienteering in undirected graphs, achieving the best known approximation ratio, and the first approximation algorithm for Orienteering in directed graphs. We also give improved algorithms for Orienteering with time windows, in which vertices must be visited between specified release times and deadlines, and other related problems. These problems are motivated by applications in the fields of vehicle routing, delivery and transportation of goods, and robot path planning.

Asymmetric Ramsey Properties of Random Graphs Involving Cliques

Consider the following problem: Forgiven graphs G and F(1),..., F(k), find a coloring of the edges of G with k colors such that G does not contain F; in color i. Rodl and Rucinski studied this problem for the random graph G,,, in the symmetric case when k is fixed and F(1) = ... = F(k) = F. They proved that such a coloring exists asymptotically almost surely (a.a.s.) provided that p <= bn(-beta) for some constants b = b(F,k) and beta = beta(F). This result is essentially best possible because for p >= Bn(-beta), where B = B(F, k) is a large constant, such an edge-coloring does not exist. Kohayakawa and Kreuter conjectured a threshold function n(-beta(F1,..., Fk)) for arbitrary F(1), ..., F(k). In this article we address the case when F(1),..., F(k) are cliques of different sizes and propose an algorithm that a.a.s. finds a valid k-edge-coloring of G(n,p) with p <= bn(-beta) for some constant b = b(F(1),..., F(k)), where beta = beta(F(1),..., F(k)) as conjectured. With a few exceptions, this algorithm also works in the general symmetric case. We also show that there exists a constant B = B(F,,..., Fk) such that for p >= Bn(-beta) the random graph G(n,p) a.a.s. does not have a valid k-edge-coloring provided the so-called KLR-conjecture holds. (C) 2008 Wiley Periodicals, Inc. Random Struct. Alg., 34, 419-453, 2009

Combinatorial-topological framework for the analysis of global dynamics

We discuss an algorithmic framework based on efficient graph algorithms and algebraic-topological computational tools. The framework is aimed at automatic computation of a database of global dynamics of a given m-parameter semidynamical system with discrete time on a bounded subset of the n-dimensional phase space. We introduce the mathematical background, which is based upon Conley's topological approach to dynamics, describe the algorithms for the analysis of the dynamics using rectangular grids both in phase space and parameter space, and show two sample applications. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4767672]

Volumenpackungen nach SAE J1100

We present new algorithms to approximate the discrete volume of a polyhedral geometry using boxes defined by the US standard SAE J1100. This problem is NP-hard and has its main application in the car design process. The algorithms produce maximum weighted independent sets on a so-called conflict graph for a discretisation of the geometry. We present a framework to eliminate a large portion of the vertices of a graph without affecting the quality of the optimal solution. Using this framework we are also able to define the conflict graph without the use of a discretisation. For the solution of the maximum weighted independent set problem we designed an enumeration scheme which uses the restrictions of the SAE J1100 standard for an efficient upper bound computation. We evaluate the packing algorithms according to the solution quality compared to manually derived results. Finally, we compare our enumeration scheme to several other exact algorithms in terms of their runtime. Grid-based packings either tend to be not tight or have intersections between boxes. We therefore present an algorithm which can compute box packings with arbitrary placements and fixed orientations. In this algorithm we make use of approximate Minkowski Sums, computed by uniting many axis-oriented equal boxes. We developed an algorithm which computes the union of equal axis-oriented boxes efficiently. This algorithm also maintains the Minkowski Sums throughout the packing process. We also extend these algorithms for packing arbitrary objects in fixed orientations.

Especificaciones eMathTeacher, creación del Modelo Granular Lingüístico de la evaluación del aprendizaje humano, y diseño de sistemas que implementan estos conceptos

El concepto de algoritmo es básico en informática, por lo que es crucial que los alumnos profundicen en él desde el inicio de su formación. Por tanto, contar con una herramienta que guíe a los estudiantes en su aprendizaje puede suponer una gran ayuda en su formación. La mayoría de los autores coinciden en que, para determinar la eficacia de una herramienta de visualización de algoritmos, es esencial cómo se utiliza. Así, los estudiantes que participan activamente en la visualización superan claramente a los que la contemplan de forma pasiva. Por ello, pensamos que uno de los mejores ejercicios para un alumno consiste en simular la ejecución del algoritmo que desea aprender mediante el uso de una herramienta de visualización, i. e. consiste en realizar una simulación visual de dicho algoritmo. La primera parte de esta tesis presenta los resultados de una profunda investigación sobre las características que debe reunir una herramienta de ayuda al aprendizaje de algoritmos y conceptos matemáticos para optimizar su efectividad: el conjunto de especificaciones eMathTeacher, además de un entorno de aprendizaje que integra herramientas que las cumplen: GRAPHs. Hemos estudiado cuáles son las cualidades esenciales para potenciar la eficacia de un sistema e-learning de este tipo. Esto nos ha llevado a la definición del concepto eMathTeacher, que se ha materializado en el conjunto de especificaciones eMathTeacher. Una herramienta e-learning cumple las especificaciones eMathTeacher si actúa como un profesor virtual de matemáticas, i. e. si es una herramienta de autoevaluación que ayuda a los alumnos a aprender de forma activa y autónoma conceptos o algoritmos matemáticos, corrigiendo sus errores y proporcionando pistas para encontrar la respuesta correcta, pero sin dársela explícitamente. En estas herramientas, la simulación del algoritmo no continúa hasta que el usuario introduce la respuesta correcta. Para poder reunir en un único entorno una colección de herramientas que cumplan las especificaciones eMathTeacher hemos creado GRAPHs, un entorno ampliable, basado en simulación visual, diseñado para el aprendizaje activo e independiente de los algoritmos de grafos y creado para que en él se integren simuladores de diferentes algoritmos. Además de las opciones de creación y edición del grafo y la visualización de los cambios producidos en él durante la simulación, el entorno incluye corrección paso a paso, animación del pseudocódigo del algoritmo, preguntas emergentes, manejo de las estructuras de datos del algoritmo y creación de un log de interacción en XML. Otro problema que nos planteamos en este trabajo, por su importancia en el proceso de aprendizaje, es el de la evaluación formativa. El uso de ciertos entornos e-learning genera gran cantidad de datos que deben ser interpretados para llegar a una evaluación que no se limite a un recuento de errores. Esto incluye el establecimiento de relaciones entre los datos disponibles y la generación de descripciones lingüísticas que informen al alumno sobre la evolución de su aprendizaje. Hasta ahora sólo un experto humano era capaz de hacer este tipo de evaluación. Nuestro objetivo ha sido crear un modelo computacional que simule el razonamiento del profesor y genere un informe sobre la evolución del aprendizaje que especifique el nivel de logro de cada uno de los objetivos definidos por el profesor. Como resultado del trabajo realizado, la segunda parte de esta tesis presenta el modelo granular lingüístico de la evaluación del aprendizaje, capaz de modelizar la evaluación y generar automáticamente informes de evaluación formativa. Este modelo es una particularización del modelo granular lingüístico de un fenómeno (GLMP), en cuyo desarrollo y formalización colaboramos, basado en la lógica borrosa y en la teoría computacional de las percepciones. Esta técnica, que utiliza sistemas de inferencia basados en reglas lingüísticas y es capaz de implementar criterios de evaluación complejos, se ha aplicado a dos casos: la evaluación, basada en criterios, de logs de interacción generados por GRAPHs y de cuestionarios de Moodle. Como consecuencia, se han implementado, probado y utilizado en el aula sistemas expertos que evalúan ambos tipos de ejercicios. Además de la calificación numérica, los sistemas generan informes de evaluación, en lenguaje natural, sobre los niveles de competencia alcanzados, usando sólo datos objetivos de respuestas correctas e incorrectas. Además, se han desarrollado dos aplicaciones capaces de ser configuradas para implementar los sistemas expertos mencionados. Una procesa los archivos producidos por GRAPHs y la otra, integrable en Moodle, evalúa basándose en los resultados de los cuestionarios. ABSTRACT The concept of algorithm is one of the core subjects in computer science. It is extremely important, then, for students to get a good grasp of this concept from the very start of their training. In this respect, having a tool that helps and shepherds students through the process of learning this concept can make a huge difference to their instruction. Much has been written about how helpful algorithm visualization tools can be. Most authors agree that the most important part of the learning process is how students use the visualization tool. Learners who are actively involved in visualization consistently outperform other learners who view the algorithms passively. Therefore we think that one of the best exercises to learn an algorithm is for the user to simulate the algorithm execution while using a visualization tool, thus performing a visual algorithm simulation. The first part of this thesis presents the eMathTeacher set of requirements together with an eMathTeacher-compliant tool called GRAPHs. For some years, we have been developing a theory about what the key features of an effective e-learning system for teaching mathematical concepts and algorithms are. This led to the definition of eMathTeacher concept, which has materialized in the eMathTeacher set of requirements. An e-learning tool is eMathTeacher compliant if it works as a virtual math trainer. In other words, it has to be an on-line self-assessment tool that helps students to actively and autonomously learn math concepts or algorithms, correcting their mistakes and providing them with clues to find the right answer. In an eMathTeacher-compliant tool, algorithm simulation does not continue until the user enters the correct answer. GRAPHs is an extendible environment designed for active and independent visual simulation-based learning of graph algorithms, set up to integrate tools to help the user simulate the execution of different algorithms. Apart from the options of creating and editing the graph, and visualizing the changes made to the graph during simulation, the environment also includes step-by-step correction, algorithm pseudo-code animation, pop-up questions, data structure handling and XML-based interaction log creation features. On the other hand, assessment is a key part of any learning process. Through the use of e-learning environments huge amounts of data can be output about this process. Nevertheless, this information has to be interpreted and represented in a practical way to arrive at a sound assessment that is not confined to merely counting mistakes. This includes establishing relationships between the available data and also providing instructive linguistic descriptions about learning evolution. Additionally, formative assessment should specify the level of attainment of the learning goals defined by the instructor. Till now, only human experts were capable of making such assessments. While facing this problem, our goal has been to create a computational model that simulates the instructor’s reasoning and generates an enlightening learning evolution report in natural language. The second part of this thesis presents the granular linguistic model of learning assessment to model the assessment of the learning process and implement the automated generation of a formative assessment report. The model is a particularization of the granular linguistic model of a phenomenon (GLMP) paradigm, based on fuzzy logic and the computational theory of perceptions, to the assessment phenomenon. This technique, useful for implementing complex assessment criteria using inference systems based on linguistic rules, has been applied to two particular cases: the assessment of the interaction logs generated by GRAPHs and the criterion-based assessment of Moodle quizzes. As a consequence, several expert systems to assess different algorithm simulations and Moodle quizzes have been implemented, tested and used in the classroom. Apart from the grade, the designed expert systems also generate natural language progress reports on the achieved proficiency level, based exclusively on the objective data gathered from correct and incorrect responses. In addition, two applications, capable of being configured to implement the expert systems, have been developed. One is geared up to process the files output by GRAPHs and the other one is a Moodle plug-in set up to perform the assessment based on the quizzes results.

A Metaheuristic Approach to Solving the Generalized Vertex Cover Problem

AMS Subj. Classification: 90C27, 05C85, 90C59

Benchmarking of distributed computing engines spark and GraphLab for big data analytics

In this paper we evaluate and compare two representativeand popular distributed processing engines for large scalebig data analytics, Spark and graph based engine GraphLab. Wedesign a benchmark suite including representative algorithmsand datasets to compare the performances of the computingengines, from performance aspects of running time, memory andCPU usage, network and I/O overhead. The benchmark suite istested on both local computer cluster and virtual machines oncloud. By varying the number of computers and memory weexamine the scalability of the computing engines with increasingcomputing resources (such as CPU and memory). We also runcross-evaluation of generic and graph based analytic algorithmsover graph processing and generic platforms to identify thepotential performance degradation if only one processing engineis available. It is observed that both computing engines showgood scalability with increase of computing resources. WhileGraphLab largely outperforms Spark for graph algorithms, ithas close running time performance as Spark for non-graphalgorithms. Additionally the running time with Spark for graphalgorithms over cloud virtual machines is observed to increaseby almost 100% compared to over local computer clusters.

Clustering algorithms for anti-money laundering using graph theory and social network analysis

HEMOLIA (a project under European community’s 7th framework programme) is a new generation Anti-Money Laundering (AML) intelligent multi-agent alert and investigation system which in addition to the traditional financial data makes extensive use of modern society’s huge telecom data source, thereby opening up a new dimension of capabilities to all Money Laundering fighters (FIUs, LEAs) and Financial Institutes (Banks, Insurance Companies, etc.). This Master-Thesis project is done at AIA, one of the partners for the HEMOLIA project in Barcelona. The objective of this thesis is to find the clusters in a network drawn by using the financial data. An extensive literature survey has been carried out and several standard algorithms related to networks have been studied and implemented. The clustering problem is a NP-hard problem and several algorithms like K-Means and Hierarchical clustering are being implemented for studying several problems relating to sociology, evolution, anthropology etc. However, these algorithms have certain drawbacks which make them very difficult to implement. The thesis suggests (a) a possible improvement to the K-Means algorithm, (b) a novel approach to the clustering problem using the Genetic Algorithms and (c) a new algorithm for finding the cluster of a node using the Genetic Algorithm.

Comparing Random-based and k-Anonymity-Based Algorithms for Graph Anonymization

Recently, several anonymization algorithms have appeared for privacy preservation on graphs. Some of them are based on random-ization techniques and on k-anonymity concepts. We can use both of them to obtain an anonymized graph with a given k-anonymity value. In this paper we compare algorithms based on both techniques in orderto obtain an anonymized graph with a desired k-anonymity value. We want to analyze the complexity of these methods to generate anonymized graphs and the quality of the resulting graphs.

Comparing Random-based and k-Anonymity-Based Algorithms for Graph Anonymization

Recently, several anonymization algorithms have appeared for privacy preservation on graphs. Some of them are based on random-ization techniques and on k-anonymity concepts. We can use both of them to obtain an anonymized graph with a given k-anonymity value. In this paper we compare algorithms based on both techniques in orderto obtain an anonymized graph with a desired k-anonymity value. We want to analyze the complexity of these methods to generate anonymized graphs and the quality of the resulting graphs.

Properties and algorithms of the hyper-star graph and its related graphs

The hyper-star interconnection network was proposed in 2002 to overcome the drawbacks of the hypercube and its variations concerning the network cost, which is defined by the product of the degree and the diameter. Some properties of the graph such as connectivity, symmetry properties, embedding properties have been studied by other researchers, routing and broadcasting algorithms have also been designed. This thesis studies the hyper-star graph from both the topological and algorithmic point of view. For the topological properties, we try to establish relationships between hyper-star graphs with other known graphs. We also give a formal equation for the surface area of the graph. Another topological property we are interested in is the Hamiltonicity problem of this graph. For the algorithms, we design an all-port broadcasting algorithm and a single-port neighbourhood broadcasting algorithm for the regular form of the hyper-star graphs. These algorithms are both optimal time-wise. Furthermore, we prove that the folded hyper-star, a variation of the hyper-star, to be maixmally fault-tolerant.

Graph-based algorithms for comparison and prediction of household-level energy use profiles

We present an efficient graph-based algorithm for quantifying the similarity of household-level energy use profiles, using a notion of similarity that allows for small time–shifts when comparing profiles. Experimental results on a real smart meter data set demonstrate that in cases of practical interest our technique is far faster than the existing method for computing the same similarity measure. Having a fast algorithm for measuring profile similarity improves the efficiency of tasks such as clustering of customers and cross-validation of forecasting methods using historical data. Furthermore, we apply a generalisation of our algorithm to produce substantially better household-level energy use forecasts from historical smart meter data.