Dynamical modeling and analysis of large cellular regulatory networks.

The dynamical analysis of large biological regulatory networks requires the development of scalable methods for mathematical modeling. Following the approach initially introduced by Thomas, we formalize the interactions between the components of a network in terms of discrete variables, functions, and parameters. Model simulations result in directed graphs, called state transition graphs. We are particularly interested in reachability properties and asymptotic behaviors, which correspond to terminal strongly connected components (or "attractors") in the state transition graph. A well-known problem is the exponential increase of the size of state transition graphs with the number of network components, in particular when using the biologically realistic asynchronous updating assumption. To address this problem, we have developed several complementary methods enabling the analysis of the behavior of large and complex logical models: (i) the definition of transition priority classes to simplify the dynamics; (ii) a model reduction method preserving essential dynamical properties, (iii) a novel algorithm to compact state transition graphs and directly generate compressed representations, emphasizing relevant transient and asymptotic dynamical properties. The power of an approach combining these different methods is demonstrated by applying them to a recent multilevel logical model for the network controlling CD4+ T helper cell response to antigen presentation and to a dozen cytokines. This model accounts for the differentiation of canonical Th1 and Th2 lymphocytes, as well as of inflammatory Th17 and regulatory T cells, along with many hybrid subtypes. All these methods have been implemented into the software GINsim, which enables the definition, the analysis, and the simulation of logical regulatory graphs.

Projecte d'energia solar tèrmica

El proyecto consiste en el diseño de una instalación solar térmica para producción de agua caliente sanitaria (ACS) en un edificio de nueva construcción en la localidad de Mollerussa (Lleida). Se han estudiado las necesidades térmicas de ACS en atención a las características constructivas y funcionales del edificio, dando cumplimiento a la normativa vigente. Conocida la demanda energética esperada, se han analizado los datos climatológicos y de temperatura de red de agua fría propios del emplazamiento, y se ha propuesto un campo de captación compuesto por captadores planos y los distintos subconjuntos que componen la instalación: acumulación, transferencia térmica, trazado hidráulico, regulación y control, y energía auxiliar. Con ello se ha llevado a cabo una simulación energética mediante la herramienta TSOL, software de simulación solar recomendado por entidades de reconocido prestigio, para comprobar que se han alcanzado los objetivos del sistema propuesto. Por último, se ha realizado un estudio del beneficio medioambiental que supone la instalación proyectada, indicando el ahorro energético para el usuario y las toneladas equivalentes de dióxido de carbono evitadas.

Agent based simulation to optimise emergency departments

Nowadays, many of the health care systems are large and complex environments and quite dynamic, specifically Emergency Departments, EDs. It is opened and working 24 hours per day throughout the year with limited resources, whereas it is overcrowded. Thus, is mandatory to simulate EDs to improve qualitatively and quantitatively their performance. This improvement can be achieved modelling and simulating EDs using Agent-Based Model, ABM and optimising many different staff scenarios. This work optimises the staff configuration of an ED. In order to do optimisation, objective functions to minimise or maximise have to be set. One of those objective functions is to find the best or optimum staff configuration that minimise patient waiting time. The staff configuration comprises: doctors, triage nurses, and admissions, the amount and sort of them. Staff configuration is a combinatorial problem, that can take a lot of time to be solved. HPC is used to run the experiments, and encouraging results were obtained. However, even with the basic ED used in this work the search space is very large, thus, when the problem size increases, it is going to need more resources of processing in order to obtain results in an acceptable time.

3D visualization software to analyze topological outcomes of topoisomerase reactions.

The action of various DNA topoisomerases frequently results in characteristic changes in DNA topology. Important information for understanding mechanistic details of action of these topoisomerases can be provided by investigating the knot types resulting from topoisomerase action on circular DNA forming a particular knot type. Depending on the topological bias of a given topoisomerase reaction, one observes different subsets of knotted products. To establish the character of topological bias, one needs to be aware of all possible topological outcomes of intersegmental passages occurring within a given knot type. However, it is not trivial to systematically enumerate topological outcomes of strand passage from a given knot type. We present here a 3D visualization software (TopoICE-X in KnotPlot) that incorporates topological analysis methods in order to visualize, for example, knots that can be obtained from a given knot by one intersegmental passage. The software has several other options for the topological analysis of mechanisms of action of various topoisomerases.

Desarrollo de software para el procesado numérico en tarjetas gráficas

Debido al gran número de transistores por mm2 que hoy en día podemos encontrar en las GPU convencionales, en los últimos años éstas se vienen utilizando para propósitos generales gracias a que ofrecen un mayor rendimiento para computación paralela. Este proyecto implementa el producto sparse matrix-vector sobre OpenCL. En los primeros capítulos hacemos una revisión de la base teórica necesaria para comprender el problema. Después veremos los fundamentos de OpenCL y del hardware sobre el que se ejecutarán las librerías desarrolladas. En el siguiente capítulo seguiremos con una descripción del código de los kernels y de su flujo de datos. Finalmente, el software es evaluado basándose en comparativas con la CPU.