A new set of relativistic screening constants for the screened hydrogenic model

AnewRelativisticScreenedHydrogenicModel has been developed to calculate atomic data needed to compute the optical and thermodynamic properties of high energy density plasmas. The model is based on anewset of universal screeningconstants, including nlj-splitting that has been obtained by fitting to a large database of ionization potentials and excitation energies. This database was built with energies compiled from the National Institute of Standards and Technology (NIST) database of experimental atomic energy levels, and energies calculated with the Flexible Atomic Code (FAC). The screeningconstants have been computed up to the 5p3/2 subshell using a Genetic Algorithm technique with an objective function designed to minimize both the relative error and the maximum error. To select the best set of screeningconstants some additional physical criteria has been applied, which are based on the reproduction of the filling order of the shells and on obtaining the best ground state configuration. A statistical error analysis has been performed to test the model, which indicated that approximately 88% of the data lie within a ±10% error interval. We validate the model by comparing the results with ionization energies, transition energies, and wave functions computed using sophisticated self-consistent codes and experimental data.

A combined measure for quantifying and qualifying the topology preservation of growing self-organizing maps

The Self-OrganizingMap (SOM) is a neural network model that performs an ordered projection of a high dimensional input space in a low-dimensional topological structure. The process in which such mapping is formed is defined by the SOM algorithm, which is a competitive, unsupervised and nonparametric method, since it does not make any assumption about the input data distribution. The feature maps provided by this algorithm have been successfully applied for vector quantization, clustering and high dimensional data visualization processes. However, the initialization of the network topology and the selection of the SOM training parameters are two difficult tasks caused by the unknown distribution of the input signals. A misconfiguration of these parameters can generate a feature map of low-quality, so it is necessary to have some measure of the degree of adaptation of the SOM network to the input data model. The topologypreservation is the most common concept used to implement this measure. Several qualitative and quantitative methods have been proposed for measuring the degree of SOM topologypreservation, particularly using Kohonen's model. In this work, two methods for measuring the topologypreservation of the Growing Cell Structures (GCSs) model are proposed: the topographic function and the topology preserving map

A set of canonical problems in sloshing. Part 0: Experimental setup and data processing

In a series of attempts to research and document relevant sloshing type phenomena, a series of experiments have been conducted. The aim of this paper is to describe the setup and data processing of such experiments. A sloshing tank is subjected to angular motion. As a result pressure registers are obtained at several locations, together with the motion data, torque and a collection of image and video information. The experimental rig and the data acquisition systems are described. Useful information for experimental sloshing research practitioners is provided. This information is related to the liquids used in the experiments, the dying techniques, tank building processes, synchronization of acquisition systems, etc. A new procedure for reconstructing experimental data, that takes into account experimental uncertainties, is presented. This procedure is based on a least squares spline approximation of the data. Based on a deterministic approach to the first sloshing wave impact event in a sloshing experiment, an uncertainty analysis procedure of the associated first pressure peak value is described.

Optimal Multiresolution 3D Level-Set Method for Liver Segmentation incorporating Local Curvature Constraints

Advanced liver surgery requires a precise pre-operative planning, where liver segmentation and remnant liver volume are key elements to avoid post-operative liver failure. In that context, level-set algorithms have achieved better results than others, especially with altered liver parenchyma or in cases with previous surgery. In order to improve functional liver parenchyma volume measurements, in this work we propose two strategies to enhance previous level-set algorithms: an optimal multi-resolution strategy with fine details correction and adaptive curvature, as well as an additional semiautomatic step imposing local curvature constraints. Results show more accurate segmentations, especially in elongated structures, detecting internal lesions and avoiding leakages to close structures

Pressure measurements of the detachment bubble on the Bolund Island

Pressure measurements on the surface of a 1:230 scale model of Bolund Island are presented. The model is smooth and no boundary layer generation has been considered since the experiment is designed as the simplest possible reference case. Measurement have been taken for a range of Reynolds numbers based on the average undisturbed wind speed U∞ and the maximum height of the island, h [1.7×104, 8.5×104], and for a range of wind directions. Four minutes time series of pressure in more than 400 points have been acquired and analysed to obtain the spatial distribution of both the time average and the variance of the pressure signal. The horizontal extension of the detachment bubble for the different Reynolds numbers and wind directions is identified by isobars and curves of constant value of pressure variance. The applicability of this technique for evaluating the horizontal topology of high turbulence regions associated to detachment bubbles after escarpments in potential wind farm sites is analysed. The results obtained shows that the behaviour of the mean pressure coefficient, Cp, the std. pressure coefficient, Cp, and the skewness of the pressure, Sp can be used to study the bubble over the island to a certain extent. This experiment is part of the set of different analysis on the Bolund test case that is being undertaken within WAUDIT project by the different scientific groups.

Level Set Segmentation with Shape and Appearance Models Using Affine Moment Descriptors

We propose a level set based variational approach that incorporates shape priors into edge-based and region-based models. The evolution of the active contour depends on local and global information. It has been implemented using an efficient narrow band technique. For each boundary pixel we calculate its dynamic according to its gray level, the neighborhood and geometric properties established by training shapes. We also propose a criterion for shape aligning based on affine transformation using an image normalization procedure. Finally, we illustrate the benefits of the our approach on the liver segmentation from CT images.

Negative ternary set-sharing

The Set-Sharing domain has been widely used to infer at compiletime interesting properties of logic programs such as occurs-check reduction, automatic parallelization, and flnite-tree analysis. However, performing abstract uniflcation in this domain requires a closure operation that increases the number of sharing groups exponentially. Much attention has been given to mitigating this key inefflciency in this otherwise very useful domain. In this paper we present a novel approach to Set-Sharing: we define a new representation that leverages the complement (or negative) sharing relationships of the original sharing set, without loss of accuracy. Intuitively, given an abstract state sh\> over the finite set of variables of interest V, its negative representation is p(V) \ shy. Using this encoding during analysis dramatically reduces the number of elements that need to be represented in the abstract states and during abstract uniflcation as the cardinality of the original set grows toward 2 . To further compress the number of elements, we express the set-sharing relationships through a set of ternary strings that compacts the representation by eliminating redundancies among the sharing sets. Our experiments show that our approach can compress the number of relationships, reducing signiflcantly the memory usage and running time of all abstract operations, including abstract uniflcation.

Efficient top-down set-sharing analysis using cliques

Abstract. We study the problem of efficient, scalable set-sharing analysis of logic programs. We use the idea of representing sharing information as a pair of abstract substitutions, one of which is a worst-case sharing representation called a clique set, which was previously proposed for the case of inferring pair-sharing. We use the clique-set representation for (1) inferring actual set-sharing information, and (2) analysis within a top-down framework. In particular, we define the new abstract functions required by standard top-down analyses, both for sharing alone and also for the case of including freeness in addition to sharing. We use cliques both as an alternative representation and as widening, defining several widening operators. Our experimental evaluation supports the conclusión that, for inferring set-sharing, as it was the case for inferring pair-sharing, precisión losses are limited, while useful efficieney gains are obtained. We also derive useful conclusions regarding the interactions between thresholds, precisión, efficieney and cost of widening. At the limit, the clique-set representation allowed analyzing some programs that exceeded memory capacity using classical sharing representations.

Two efficient representations for set-sharing analysis in logic programs

Set-Sharing analysis, the classic Jacobs and Langen's domain, has been widely used to infer several interesting properties of programs at compile-time such as occurs-check reduction, automatic parallelization, flnite-tree analysis, etc. However, performing abstract uniflcation over this domain implies the use of a closure operation which makes the number of sharing groups grow exponentially. Much attention has been given in the literature to mitígate this key inefficiency in this otherwise very useful domain. In this paper we present two novel alternative representations for the traditional set-sharing domain, tSH and tNSH. which compress efficiently the number of elements into fewer elements enabling more efficient abstract operations, including abstract uniflcation, without any loss of accuracy. Our experimental evaluation supports that both representations can reduce dramatically the number of sharing groups showing they can be more practical solutions towards scalable set-sharing.

A study of set-sharing analysis via cliques

We study the problem of efñcient, scalable set-sharing analysis of logic programs. We use the idea of representing sharing information as a pair of abstract substitutions, one of which is a worst-case sharing representation called a clique set, which was previously proposed for the case of inferring pair-sharing. We use the clique-set representation for (1) inferring actual set-sharing information, and (2) analysis within a topdown framework. In particular, we define the abstract functions required by standard top-down analyses, both for sharing alone and also for the case of including freeness in addition to sharing. Our experimental evaluation supports the conclusión that, for inferring set-sharing, as it was the case for inferring pair-sharing, precisión losses are limited, while useful efñciency gains are obtained. At the limit, the clique-set representation allowed analyzing some programs that exceeded memory capacity using classical sharing representations.

Efficient representations for set-sharing analysis

Abstract is not available.

Precise set sharin analysis for java-style programs (and proofs).

Finding useful sharing information between instances in object- oriented programs has recently been the focus of much research. The applications of such static analysis are multiple: by knowing which variables definitely do not share in memory we can apply conventional compiler optimizations, find coarse-grained parallelism opportunities, or, more importantly, verify certain correctness aspects of programs even in the absence of annotations. In this paper we introduce a framework for deriving precise sharing information based on abstract interpretation for a Java-like language. Our analysis achieves precision in various ways, including supporting multivariance, which allows separating different contexts. We propose a combined Set Sharing + Nullity + Classes domain which captures which instances do not share and which ones are definitively null, and which uses the classes to refine the static information when inheritance is present. The use of a set sharing abstraction allows a more precise representation of the existing sharings and is crucial in achieving precision during interprocedural analysis. Carrying the domains in a combined way facilitates the interaction among them in the presence of multivariance in the analysis. We show through examples and experimentally that both the set sharing part of the domain as well as the combined domain provide more accurate information than previous work based on pair sharing domains, at reasonable cost.

Precise set sharing and nullity analysis for java-style program

Finding useful sharing information between instances in object- oriented programs has been recently the focus of much research. The applications of such static analysis are multiple: by knowing which variables share in memory we can apply conventional compiler optimizations, find coarse-grained parallelism opportunities, or, more importantly,erify certain correctness aspects of programs even in the absence of annotations In this paper we introduce a framework for deriving precise sharing information based on abstract interpretation for a Java-like language. Our analysis achieves precision in various ways. The analysis is multivariant, which allows separating different contexts. We propose a combined Set Sharing + Nullity + Classes domain which captures which instances share and which ones do not or are definitively null, and which uses the classes to refine the static information when inheritance is present. Carrying the domains in a combined way facilitates the interaction among the domains in the presence of mutivariance in the analysis. We show that both the set sharing part of the domain as well as the combined domain provide more accurate information than previous work based on pair sharing domains, at reasonable cost.

Probabilistic mapping with mobile robots in structured environments

La mayor parte de los entornos diseñados por el hombre presentan características geométricas específicas. En ellos es frecuente encontrar formas poligonales, rectangulares, circulares . . . con una serie de relaciones típicas entre distintos elementos del entorno. Introducir este tipo de conocimiento en el proceso de construcción de mapas de un robot móvil puede mejorar notablemente la calidad y la precisión de los mapas resultantes. También puede hacerlos más útiles de cara a un razonamiento de más alto nivel. Cuando la construcción de mapas se formula en un marco probabilístico Bayesiano, una especificación completa del problema requiere considerar cierta información a priori sobre el tipo de entorno. El conocimiento previo puede aplicarse de varias maneras, en esta tesis se presentan dos marcos diferentes: uno basado en el uso de primitivas geométricas y otro que emplea un método de representación cercano al espacio de las medidas brutas. Un enfoque basado en características geométricas supone implícitamente imponer un cierto modelo a priori para el entorno. En este sentido, el desarrollo de una solución al problema SLAM mediante la optimización de un grafo de características geométricas constituye un primer paso hacia nuevos métodos de construcción de mapas en entornos estructurados. En el primero de los dos marcos propuestos, el sistema deduce la información a priori a aplicar en cada caso en base a una extensa colección de posibles modelos geométricos genéricos, siguiendo un método de Maximización de la Esperanza para hallar la estructura y el mapa más probables. La representación de la estructura del entorno se basa en un enfoque jerárquico, con diferentes niveles de abstracción para los distintos elementos geométricos que puedan describirlo. Se llevaron a cabo diversos experimentos para mostrar la versatilidad y el buen funcionamiento del método propuesto. En el segundo marco, el usuario puede definir diferentes modelos de estructura para el entorno mediante grupos de restricciones y energías locales entre puntos vecinos de un conjunto de datos del mismo. El grupo de restricciones que se aplica a cada grupo de puntos depende de la topología, que es inferida por el propio sistema. De este modo, se pueden incorporar nuevos modelos genéricos de estructura para el entorno con gran flexibilidad y facilidad. Se realizaron distintos experimentos para demostrar la flexibilidad y los buenos resultados del enfoque propuesto. Abstract Most human designed environments present specific geometrical characteristics. In them, it is easy to find polygonal, rectangular and circular shapes, with a series of typical relations between different elements of the environment. Introducing this kind of knowledge in the mapping process of mobile robots can notably improve the quality and accuracy of the resulting maps. It can also make them more suitable for higher level reasoning applications. When mapping is formulated in a Bayesian probabilistic framework, a complete specification of the problem requires considering a prior for the environment. The prior over the structure of the environment can be applied in several ways; this dissertation presents two different frameworks, one using a feature based approach and another one employing a dense representation close to the measurements space. A feature based approach implicitly imposes a prior for the environment. In this sense, feature based graph SLAM was a first step towards a new mapping solution for structured scenarios. In the first framework, the prior is inferred by the system from a wide collection of feature based priors, following an Expectation-Maximization approach to obtain the most probable structure and the most probable map. The representation of the structure of the environment is based on a hierarchical model with different levels of abstraction for the geometrical elements describing it. Various experiments were conducted to show the versatility and the good performance of the proposed method. In the second framework, different priors can be defined by the user as sets of local constraints and energies for consecutive points in a range scan from a given environment. The set of constraints applied to each group of points depends on the topology, which is inferred by the system. This way, flexible and generic priors can be incorporated very easily. Several tests were carried out to demonstrate the flexibility and the good results of the proposed approach.

Estructura de una red esencial de señalización que regula la homeostasis iónica en plantas

Las plantas son organismos sésiles que han desarrollado la capacidad para detectar variaciones sutiles en su ambiente y producir respuestas adaptativas mediante rutas de señalización. Los estímulos causados por el estrés biótico y abiótico son numerosos y dependiendo del tiempo de exposición y su intensidad, pueden reducir la tasa de crecimiento de las plantas y la producción. Los cambios en la concentración del calcio citosólico libre constituyen una de las primeras reacciones intracelulares a las situaciones de estrés abiótico. En esta situación, el calcio actúa como segundo mensajero y las variaciones en su concentración son descodificadas por proteínas de unión a calcio. Las más conocidas son las manos-EF y los dominios C2. Los dominios C2 han sido descritos como dominios de unión a lípidos dependientes de calcio. Estos dominios se consideran proteínas periféricas solubles en agua que se asocian de manera reversible a los lípidos de la membrana mediante una o dos regiones funcionales: el sitio de unión a calcio y el sitio polibásico. A pesar de que se conoce la estructura molecular de algunos dominios C2, se desconocen aspectos relacionados como las reglas que dirigen su forma de interaccionar con los diferentes fosfolípidos y proteínas, la posición que ocupan en la bicapa lipídica y su papel en la transmisión de señales. En esta tesis se ha estudiado una proteína de Arabidopsis thaliana (At3g17980) representativa de una nueva familia de proteínas con dominios C2, que consiste únicamente de un dominio C2. Esta proteína, llamada AtC2.1, ha sido clonada en el vector pETM11, expresada en E. coli y purificada a homogeneidad en dos pasos cromatográficos. Se obtuvieron cristales de AtC2.1 de buena calidad mediante técnicas de difusión de vapor. La proteína fue co-cristalizada con calcio, fosfocolina (POC) y el fosfolípido 1,2-dihexanoil-sn-glicero-3-fosfo-L-serina (PSF). Se recogieron ocho conjuntos de datos de difracción de rayos X empleando radiación sincrotrón. Los cristales difractaron hasta 1.6 Å de resolución. Siete de ellos pertenecían al grupo ortorrómbico P212121, con las dimensiones de la celdilla unidad a = 35.3, b = 88.9, c = 110.6 Å, y un cristal pertenecía al grupo espacial monoclínico C2, con a = 124.84, b = 35.27, c = 92.32 Å y = 121.70º. La estructura se resolvió mediante la técnica MR-SAD utilizando el cinc como dispersor anómalo. La estructura cristalina mostró que la molécula forma un dímero en el que cada protómero se pliega como un dominio C2 típico, con la topología tipo II y presenta una inserción de 43 aminoácidos que la diferencia de los dominios C2 conocidos. El mapa de densidad electrónica mostró dos átomos de calcio por protómero. Se resolvieron las estructuras de AtC2.1 en complejo con POC o PSF. En ambos complejos, el análisis cristalográfico detectó máximos de densidad electrónica en la región correspondiente al sitio polibásico formado por las hebras 2, 3 5 y el lazo 3. Éstos se interpretaron correctamente como dos moléculas de POC y un átomo de cinc, en un complejo, y como la cabeza polar del PSF en el otro. AtC2.1 define un sitio de interacción con lípidos dependiente de cinc. En conclusión, en este trabajo se presenta la estructura tridimensional de AtC2.1, miembro representativo de una familia de proteínas de Arabidopsis thaliana, identificadas como proteínas que interaccionan con los receptores de ABA. Estas proteínas están constituidas únicamente por un dominio C2. El análisis conjunto de los datos biofísicos y cristalográficos muestra que AtC2.1 es un sensor de calcio que une lípidos usando dos sitios funcionales. Estos datos sugieren un mecanismo de inserción en membrana dependiente de calcio que trae consigo la disociación de la estructura dimérica y, por consiguiente, un cambio en las propiedades de superficie de la molécula. Este mecanismo proporciona las bases del reconocimiento y transporte de los receptores de ABA y/o otras moléculas a la membrana celular. Plants are sessile organisms that have developed the capacity to detect slight variations of their environment. They are able to perceive biotic and abiotic stress signals and to transduce them by signaling pathways in order to trigger adaptative responses. Stress factors are numerous and, depending on their exposition time and their concentration, can reduce plant growth rate, limiting the productivity of crop plants. Changes in the cytosolic free calcium concentration are observed as one of the earliest intracellular reactions to abiotic stress signals. Calcium plays a key role as a second messenger, and calcium concentration signatures, called calcium signals, are decodified by calcium binding proteins. The main calcium binding structures are the EF-hand motif and the C2 domains. C2 domain is a calcium dependent lipid-binding domain of approximately 130 amino acids. C2 domain displays two functional regions: the Ca-binding region and the polybasic cluster. Both of them can interact with the membrane phospholipids. Despite the number of C2 domain 3D structures currently available, questions about how they interact with the different target phospholipids, their precise spatial position in the lipid bilayer, interactions with other proteins and their role in transmitting signals downstream, have not yet been explored. In this work we have studied an uncharacterized protein from Arabidopsis thaliana (At3g17980) consisting of only a single C2 domain, as member of a new protein C2-domain family. This protein called AtC2.1 was cloned into the pETM11 vector and expressed in E. coli, allowing the purification to homogeneity in two chromatographic steps. Good quality diffracting crystals were obtained using vapor-diffusion techniques. Crystals were co-crystalized with calcium; phosphocholine (POC) and/or the phospholipid 1,2-dihexanoyl-sn-glycero-3-phospho-L-serine (PSF). Eight data set were collected with synchrotron radiation. Crystals diffracted up to 1.6 Å resolution and seven of them belong to the orthorhombic space group P212121, with unit-cell parameters a = 35.3, b = 88.9, c = 110.6 Å. Another crystal was monoclinic, space group C2, with a = 124.84, b = 35.27, c = 92.32 Å and = 121.70º. The structural model was solved by MR-SAD using Zn2+ as anomalous scatterer. The crystal structure shows that the molecule is a dimer. Each monomer was folded as a canonical C2 domain with the topology II with a 43 residues insertion. The electron density map reveals two calcium ions per molecule. Structures of AtC2.1, complexed with POC and PSF, have been solved. Well-defined extra electron densities were found, in both complexes, within the concave surface formed by strands 2, 3, 5 and loop 3 of AtC2.1. These densities were clearly explained by the presence of the two POC molecules, one zinc atom and head groups of PSF, occupying the cavity of the polybasic site. AtC2.1 defines a new metal dependent lipid-binding site into the polybasic site. In conclusion, in this thesis it is presented the molecular structure of AtC2.1, a representative member of a family of Arabidopsis thaliana C2 domain proteins, of unknown function, but identified as a molecular interacting unit of the ABA receptors. The joint analyses of the biophysical and crystallographic data show that AtC2.1 is a calcium sensor that binds lipids in two sites and suggest a model of calcium-dependent membrane insertion mechanism that will involve either dimer dissociation or a strong rearrangement of the dimeric structure. This mechanism may be the basis for the recognition and delivery of ABA receptors or other protein molecules to cell membranes.