Finite-size scaling investigation of the liquid-liquid critical point in ST2 water and its stability with respect to crystallization.

The liquid-liquid critical point scenario of water hypothesizes the existence of two metastable liq- uid phases low-density liquid (LDL) and high-density liquid (HDL) deep within the supercooled region. The hypothesis originates from computer simulations of the ST2 water model, but the stabil- ity of the LDL phase with respect to the crystal is still being debated. We simulate supercooled ST2 water at constant pressure, constant temperature, and constant number of molecules N for N ≤ 729 and times up to 1 μs. We observe clear differences between the two liquids, both structural and dynamical. Using several methods, including finite-size scaling, we confirm the presence of a liquid-liquid phase transition ending in a critical point. We find that the LDL is stable with respect to the crystal in 98% of our runs (we perform 372 runs for LDL or LDL-like states), and in 100% of our runs for the two largest system sizes (N = 512 and 729, for which we perform 136 runs for LDL or LDL-like states). In all these runs, tiny crystallites grow and then melt within 1 μs. Only for N ≤ 343 we observe six events (over 236 runs for LDL or LDL-like states) of spontaneous crystal- lization after crystallites reach an estimated critical size of about 70 ± 10 molecules.

Diffusive transport properties in monovalent and divalent metal-ion halide melts: A computer simulation study

Self- and cross-velocity correlation functions and related transport coefficients of molten salts are studied by molecular-dynamics simulation. Six representative systems are considered, i.e., NaCl and KCl alkali halides, CuCl and CuBr noble-metal halides, and SrCl2 and ZnCl2 divalent metal-ion halides. Computer simulation results are compared with experimental self-diffusion coefficients and electrical conductivities. Special attention is paid to dynamic cross correlations and their dependence on the Coulomb interactions as well as on the size and mass differences between anions and cations.

Automatic Prediction of Facial Trait Judgments: Appearance vs. Structural Models

Evaluating other individuals with respect to personality characteristics plays a crucial role in human relations and it is the focus of attention for research in diverse fields such as psychology and interactive computer systems. In psychology, face perception has been recognized as a key component of this evaluation system. Multiple studies suggest that observers use face information to infer personality characteristics. Interactive computer systems are trying to take advantage of these findings and apply them to increase the natural aspect of interaction and to improve the performance of interactive computer systems. Here, we experimentally test whether the automatic prediction of facial trait judgments (e.g. dominance) can be made by using the full appearance information of the face and whether a reduced representation of its structure is sufficient. We evaluate two separate approaches: a holistic representation model using the facial appearance information and a structural model constructed from the relations among facial salient points. State of the art machine learning methods are applied to a) derive a facial trait judgment model from training data and b) predict a facial trait value for any face. Furthermore, we address the issue of whether there are specific structural relations among facial points that predict perception of facial traits. Experimental results over a set of labeled data (9 different trait evaluations) and classification rules (4 rules) suggest that a) prediction of perception of facial traits is learnable by both holistic and structural approaches; b) the most reliable prediction of facial trait judgments is obtained by certain type of holistic descriptions of the face appearance; and c) for some traits such as attractiveness and extroversion, there are relationships between specific structural features and social perceptions.

Spatial behavior in groups: an agent-based approach

We present an agent-based model with the aim of studying how macro-level dynamics of spatial distances among interacting individuals in a closed space emerge from micro-level dyadic and local interactions. Our agents moved on a lattice (referred to as a room) using a model implemented in a computer program called P-Space in order to minimize their dissatisfaction, defined as a function of the discrepancy between the real distance and the ideal, or desired, distance between agents. Ideal distances evolved in accordance with the agent's personal and social space, which changed throughout the dynamics of the interactions among the agents. In the first set of simulations we studied the effects of the parameters of the function that generated ideal distances, and in a second set we explored how group macrolevel behavior depended on model parameters and other variables. We learned that certain parameter values yielded consistent patterns in the agents' personal and social spaces, which in turn led to avoidance and approaching behaviors in the agents. We also found that the spatial behavior of the group of agents as a whole was influenced by the values of the model parameters, as well as by other variables such as the number of agents. Our work demonstrates that the bottom-up approach is a useful way of explaining macro-level spatial behavior. The proposed model is also shown to be a powerful tool for simulating the spatial behavior of groups of interacting individuals.

Mobile Robot Local Predictive Control under Perception Constraints

This research extends a previously developed work concerning about the use of local model predictive control in mobile robots. Hence, experimental results are presented as a way to improve the methodology by considering aspects as trajectory accuracy and time performance. In this sense, the cost function and the prediction horizon are important aspects to be considered. The platformused is a differential driven robot with a free rotating wheel. The aim of the present work is to test the control method by measuring trajectory tracking accuracy and time performance. Moreover, strategies for the integration with perception system and path planning are also introduced. In this sense, monocular image data provide an occupancy grid where safety trajectories are computed by using goal attraction potential fields

Sistema de evaluación para la toma decisión en la modificación de una estación de tren via simulación informática

Proyecto centrado en la simulación informática de modelos para la creación y modificaciones de una línea de ferrocarriles (tanto de paradas, intercambiadores como las infraestructura que los componen). Se utiliza Anylogic ya que cumple con los requisitos que se necesitan para la realización del modelo en realización prestaciones-precio, además, nos permite la importación y exportación de los datos para la generación de las entradas y estudio de las salidas.

Short-time dynamics of colloidal suspensions in confined geometries

We analyze the short-time dynamical behavior of a colloidal suspension in a confined geometry. We analyze the relevant dynamical response of the solvent, and derive the temporal behavior of the velocity autocorrelation function, which exhibits an asymptotic negative algebraic decay. We are able to compare quantitatively with theoretical expressions, and analyze the effects of confinement on the diffusive behavior of the suspension.

A semi-grand canonical Monte Carlo simulation model for ion binding to ionizable surfaces: proton binding of carboxylated latex particles as a case study

In this paper, we present a computer simulation study of the ion binding process at an ionizable surface using a semi-grand canonical Monte Carlo method that models the surface as a discrete distribution of charged and neutral functional groups in equilibrium with explicit ions modelled in the context of the primitive model. The parameters of the simulation model were tuned and checked by comparison with experimental titrations of carboxylated latex particles in the presence of different ionic strengths of monovalent ions. The titration of these particles was analysed by calculating the degree of dissociation of the latex functional groups vs. pH curves at different background salt concentrations. As the charge of the titrated surface changes during the simulation, a procedure to keep the electroneutrality of the system is required. Here, two approaches are used with the choice depending on the ion selected to maintain electroneutrality: counterion or coion procedures. We compare and discuss the difference between the procedures. The simulations also provided a microscopic description of the electrostatic double layer (EDL) structure as a function of p H and ionic strength. The results allow us to quantify the effect of the size of the background salt ions and of the surface functional groups on the degree of dissociation. The non-homogeneous structure of the EDL was revealed by plotting the counterion density profiles around charged and neutral surface functional groups.

La salut reproductiva de la dona immigrant: una anàlisi des de la influència cultural

El progressiu increment del flux migratori en els darrers anys a Catalunya genera un major percentatge de dones en estat fèrtil que requereixen d’una atenció vinculada a la seva salut reproductiva. D’aquesta manera, els professionals sanitaris es veuen sotmesos a treballar sota una diversitat cultural que moltes vegades genera un “xoc intercultural” dificultant la relació assistencial entre professional i usuari. Per aquest motiu, el següent estudi pretén donar una aproximació de la influència cultural de la dona immigrant (marroquina i subsahariana) en quatre àmbits: embaràs, part, post-part i maternitat.Hipòtesis: S’identifiquen necessitats bàsiques assistencials no resoltes satisfactòriament en el grup de dones immigrants (marroquines i subsaharianes) en el període del part, puerperi immediat i intermedi, a més d’un impacte intercultural associat.Objectiu principal: Conèixer les vivències, percepcions i conductes de les dones marroquines i subsaharianes en l’embaràs, el part, el post-part, la maternitat dins el seu marc cultural i com influeixen en l’atenció sanitària del nostre país.Material i mètodes: S’ha realitzat un estudi de disseny mixt. Per una banda s’ha disposat d’una metodologia qualitativa descriptiva que utilitza la teoria fonamentada “Grounded Theory” com a instrument metodològic, i per l’altra, s’ha optat per una metodologia quantitativa per analitzar les dades clíniques i epidemiològiques de gestants immigrants que havien donat a llum al Servei d’Obstetrícia-Sala de Parts de l’Hospital Sta. Caterina (Girona), durant el període comprès entre el mes de novembre de 2012 i gener de 2013.La recollida de dades s’ha realitzat sota una entrevista semiestructurada i una observació participant com a instruments qualitatius, i el suport del “carnet de l’embaràs” i la “història obstètrica” de cada dona per elaborar l’estudi quantitatiu. Pel que fa a l’anàlisi de les dades en l’estudi qualitatiu s’ha seguit el procés analític plantejat per la Teoria fonamentada i en el cas de l’estudi quantitatiu, s’ha comptatamb el suport d’una tesi doctoral per comparar els resultats amb els de les dones autòctones, dels quals fa referència la tesi.Resultats: En l’estudi qualitatiu, s’han trobat especificitats culturals en relació a la percepció del part, desenvolupament del part ( a nivell conductual), implicació en el post-part, valoració de l’atenció sanitària rebuda i el concepte de maternitat. Pel que fa a l’estudi quantitatiu comparatiu, s’han indentificat diferències entre el col·lectiu de la mostra estudiada i les dones autòctones referent als antecedents obstètrics i paritat, al control gestacional i al desenvolupament del part ( a nivell fisiològic)

A Gain Scheduling Model Predictive Controller for Blood Glucose Control in Type 1 Diabetes

This paper presents a control strategy for blood glucose(BG) level regulation in type 1 diabetic patients. To design the controller, model-based predictive control scheme has been applied to a newly developed diabetic patient model. The controller is provided with a feedforward loop to improve meal compensation, a gain-scheduling scheme to account for different BG levels, and an asymmetric cost function to reduce hypoglycemic risk. A simulation environment that has been approved for testing of artificial pancreas control algorithms has been used to test thecontroller. The simulation results show a good controller performance in fasting conditions and meal disturbance rejection, and robustness against model–patient mismatch and errors in mealestimation

Expressive concatenative synthesis by reusing samples from real performance recordings

Here we describe an approach to the expressive synthesis of jazz saxophone melodies that reuses audio recordings and carefully concatenates note samples. The aim is to generate an expressive audio sequence from the analysis of an arbitrary input score using a previously induced performance model and an annotated saxophone note database extracted from real performances. We push the idea of using the same corpus for both inducing an expressive performance model and synthesizing sound by concatenating samples in the corpus. Therefore, a connection between the performers’ instrument sound and performance characteristics is kept during the synthesis process.

An approach to predicting bowing control parameter contours in violin performance

We present a machine learning approach to modeling bowing control parametercontours in violin performance. Using accurate sensing techniqueswe obtain relevant timbre-related bowing control parameters such as bowtransversal velocity, bow pressing force, and bow-bridge distance of eachperformed note. Each performed note is represented by a curve parametervector and a number of note classes are defined. The principal componentsof the data represented by the set of curve parameter vectors are obtainedfor each class. Once curve parameter vectors are expressed in the new spacedefined by the principal components, we train a model based on inductivelogic programming, able to predict curve parameter vectors used for renderingbowing controls. We evaluate the prediction results and show the potentialof the model by predicting bowing control parameter contours from anannotated input score.

Statistical modeling of bowing control applied to violin sound synthesis

Excitation-continuous music instrument control patterns are often not explicitly represented in current sound synthesis techniques when applied to automatic performance. Both physical model-based and sample-based synthesis paradigmswould benefit from a flexible and accurate instrument control model, enabling the improvement of naturalness and realism. Wepresent a framework for modeling bowing control parameters inviolin performance. Nearly non-intrusive sensing techniques allow for accurate acquisition of relevant timbre-related bowing control parameter signals.We model the temporal contour of bow velocity, bow pressing force, and bow-bridge distance as sequences of short Bézier cubic curve segments. Considering different articulations, dynamics, and performance contexts, a number of note classes are defined. Contours of bowing parameters in a performance database are analyzed at note-level by following a predefined grammar that dictates characteristics of curve segment sequences for each of the classes in consideration. As a result, contour analysis of bowing parameters of each note yields an optimal representation vector that is sufficient for reconstructing original contours with significant fidelity. From the resulting representation vectors, we construct a statistical model based on Gaussian mixtures suitable for both the analysis and synthesis of bowing parameter contours. By using the estimated models, synthetic contours can be generated through a bow planning algorithm able to reproduce possible constraints caused by the finite length of the bow. Rendered contours are successfully used in two preliminary synthesis frameworks: digital waveguide-based bowed stringphysical modeling and sample-based spectral-domain synthesis.

Reconeixement de punts clau en imatges mitjançant l'algorisme Random Ferns

Treball final de carrera basat en el reconeixement de punts clau en imatges mitjançant l'algorisme Random Ferns.

Gesture sampling for instrumental sound synthesis: violin bowing as a case study

This paper presents a framework in which samples of bowing gesture parameters are retrieved and concatenated from a database of violin performances by attending to an annotated input score. Resulting bowing parameter signals are then used to synthesize sound by means of both a digital waveguide violin physical model, and an spectral-domainadditive synthesizer.