Dynamic high-resolution computer simulation of isotachophoretic enantiomer separation and zone stability

The development of electrophoretic computer models and their use for simulation of electrophoretic processes has increased significantly during the last few years. Recently, GENTRANS and SIMUL5 were extended with algorithms that describe chemical equilibria between solutes and a buffer additive in a fast 1:1 interaction process, an approach that enables simulation of the electrophoretic separation of enantiomers. For acidic cationic systems with sodium and H3 0(+) as leading and terminating components, respectively, acetic acid as counter component, charged weak bases as samples, and a neutral CD as chiral selector, the new codes were used to investigate the dynamics of isotachophoretic adjustment of enantiomers, enantiomer separation, boundaries between enantiomers and between an enantiomer and a buffer constituent of like charge, and zone stability. The impact of leader pH, selector concentration, free mobility of the weak base, mobilities of the formed complexes and complexation constants could thereby be elucidated. For selected examples with methadone enantiomers as analytes and (2-hydroxypropyl)-β-CD as selector, simulated zone patterns were found to compare well with those monitored experimentally in capillary setups with two conductivity detectors or an absorbance and a conductivity detector. Simulation represents an elegant way to provide insight into the formation of isotachophoretic boundaries and zone stability in presence of complexation equilibria in a hitherto inaccessible way.

Simulation of SLA-based VM-scaling algorithms for cloud-distributed applications

Cloud Computing has evolved to become an enabler for delivering access to large scale distributed applications running on managed network-connected computing systems. This makes possible hosting Distributed Enterprise Information Systems (dEISs) in cloud environments, while enforcing strict performance and quality of service requirements, defined using Service Level Agreements (SLAs). {SLAs} define the performance boundaries of distributed applications, and are enforced by a cloud management system (CMS) dynamically allocating the available computing resources to the cloud services. We present two novel VM-scaling algorithms focused on dEIS systems, which optimally detect most appropriate scaling conditions using performance-models of distributed applications derived from constant-workload benchmarks, together with SLA-specified performance constraints. We simulate the VM-scaling algorithms in a cloud simulator and compare against trace-based performance models of dEISs. We compare a total of three SLA-based VM-scaling algorithms (one using prediction mechanisms) based on a real-world application scenario involving a large variable number of users. Our results show that it is beneficial to use autoregressive predictive SLA-driven scaling algorithms in cloud management systems for guaranteeing performance invariants of distributed cloud applications, as opposed to using only reactive SLA-based VM-scaling algorithms.

Shallow Dialogue Processing Using Machine Learning Algorithms (or not)

This paper presents a shallow dialogue analysis model, aimed at human-human dialogues in the context of staff or business meetings. Four components of the model are defined, and several machine learning techniques are used to extract features from dialogue transcripts: maximum entropy classifiers for dialogue acts, latent semantic analysis for topic segmentation, or decision tree classifiers for discourse markers. A rule-based approach is proposed for solving cross-modal references to meeting documents. The methods are trained and evaluated thanks to a common data set and annotation format. The integration of the components into an automated shallow dialogue parser opens the way to multimodal meeting processing and retrieval applications.

Column Generation Algorithms for Nonlinear Optimization II: Numerical Investigations

García et al. present a class of column generation (CG) algorithms for nonlinear programs. Its main motivation from a theoretical viewpoint is that under some circumstances, finite convergence can be achieved, in much the same way as for the classic simplicial decomposition method; the main practical motivation is that within the class there are certain nonlinear column generation problems that can accelerate the convergence of a solution approach which generates a sequence of feasible points. This algorithm can, for example, accelerate simplicial decomposition schemes by making the subproblems nonlinear. This paper complements the theoretical study on the asymptotic and finite convergence of these methods given in [1] with an experimental study focused on their computational efficiency. Three types of numerical experiments are conducted. The first group of test problems has been designed to study the parameters involved in these methods. The second group has been designed to investigate the role and the computation of the prolongation of the generated columns to the relative boundary. The last one has been designed to carry out a more complete investigation of the difference in computational efficiency between linear and nonlinear column generation approaches. In order to carry out this investigation, we consider two types of test problems: the first one is the nonlinear, capacitated single-commodity network flow problem of which several large-scale instances with varied degrees of nonlinearity and total capacity are constructed and investigated, and the second one is a combined traffic assignment model

Design of in-building wireless networks deployments using evolutionary algorithms

In this article, a novel approach to deal with the design of in-building wireless networks deployments is proposed. This approach known as MOQZEA (Multiobjective Quality Zone Based Evolutionary Algorithm) is a hybr id evolutionary algorithm adapted to use a novel fitness function, based on the definition of quality zones for the different objective functions considered. This approach is conceived to solve wireless network design problems without previous information of the required number of transmitters, considering simultaneously a high number of objective functions and optimizing multiple configuration parameters of the transmitters.

Genetic algorithms and Gaussian Bayesian networks to uncover the predictive core set of bibliometric indices

The diversity of bibliometric indices today poses the challenge of exploiting the relationships among them. Our research uncovers the best core set of relevant indices for predicting other bibliometric indices. An added difficulty is to select the role of each variable, that is, which bibliometric indices are predictive variables and which are response variables. This results in a novel multioutput regression problem where the role of each variable (predictor or response) is unknown beforehand. We use Gaussian Bayesian networks to solve the this problem and discover multivariate relationships among bibliometric indices. These networks are learnt by a genetic algorithm that looks for the optimal models that best predict bibliometric data. Results show that the optimal induced Gaussian Bayesian networks corroborate previous relationships between several indices, but also suggest new, previously unreported interactions. An extended analysis of the best model illustrates that a set of 12 bibliometric indices can be accurately predicted using only a smaller predictive core subset composed of citations, g-index, q2-index, and hr-index. This research is performed using bibliometric data on Spanish full professors associated with the computer science area.

Rational conchoid and offset constructions: algorithms and implementation

This paper is framed within the problem of analyzing the rationality of the components of two classical geometric constructions, namely the offset and the conchoid to an algebraic plane curve and, in the affirmative case, the actual computation of parametrizations. We recall some of the basic definitions and main properties on offsets (see [13]), and conchoids (see [15]) as well as the algorithms for parametrizing their rational components (see [1] and [16], respectively). Moreover, we implement the basic ideas creating two packages in the computer algebra system Maple to analyze the rationality of conchoids and offset curves, as well as the corresponding help pages. In addition, we present a brief atlas where the offset and conchoids of several algebraic plane curves are obtained, their rationality analyzed, and parametrizations are provided using the created packages.

Development of Brain-Computer Interfaces using Evolvable Hardware

Brain-Computer Interfaces are usually tackled from a medical point of view, correlating observed phenomena to physical facts known about the brain. Existing methods of classification lie in the application of deterministic algorithms and depend on certain degree of knowledge about the underlying phenomena so as to process data. In this demo, different architectures for an evolvable hardware classifier implemented on an FPGA are proposed, in line with the objective of generalizing evolutionary algorithms regardless of the application.

Integration of embedded data processing algorithms inside PAMELA devices

PAMELA (Phased Array Monitoring for Enhanced Life Assessment) SHMTM System is an integrated embedded ultrasonic guided waves based system consisting of several electronic devices and one system manager controller. The data collected by all PAMELA devices in the system must be transmitted to the controller, who will be responsible for carrying out the advanced signal processing to obtain SHM maps. PAMELA devices consist of hardware based on a Virtex 5 FPGA with a PowerPC 440 running an embedded Linux distribution. Therefore, PAMELA devices, in addition to the capability of performing tests and transmitting the collected data to the controller, have the capability of perform local data processing or pre-processing (reduction, normalization, pattern recognition, feature extraction, etc.). Local data processing decreases the data traffic over the network and allows CPU load of the external computer to be reduced. Even it is possible that PAMELA devices are running autonomously performing scheduled tests, and only communicates with the controller in case of detection of structural damages or when programmed. Each PAMELA device integrates a software management application (SMA) that allows to the developer downloading his own algorithm code and adding the new data processing algorithm to the device. The development of the SMA is done in a virtual machine with an Ubuntu Linux distribution including all necessary software tools to perform the entire cycle of development. Eclipse IDE (Integrated Development Environment) is used to develop the SMA project and to write the code of each data processing algorithm. This paper presents the developed software architecture and describes the necessary steps to add new data processing algorithms to SMA in order to increase the processing capabilities of PAMELA devices.An example of basic damage index estimation using delay and sum algorithm is provided.

New definitions of margin for multi-class Boosting algorithms

La familia de algoritmos de Boosting son un tipo de técnicas de clasificación y regresión que han demostrado ser muy eficaces en problemas de Visión Computacional. Tal es el caso de los problemas de detección, de seguimiento o bien de reconocimiento de caras, personas, objetos deformables y acciones. El primer y más popular algoritmo de Boosting, AdaBoost, fue concebido para problemas binarios. Desde entonces, muchas han sido las propuestas que han aparecido con objeto de trasladarlo a otros dominios más generales: multiclase, multilabel, con costes, etc. Nuestro interés se centra en extender AdaBoost al terreno de la clasificación multiclase, considerándolo como un primer paso para posteriores ampliaciones. En la presente tesis proponemos dos algoritmos de Boosting para problemas multiclase basados en nuevas derivaciones del concepto margen. El primero de ellos, PIBoost, está concebido para abordar el problema descomponiéndolo en subproblemas binarios. Por un lado, usamos una codificación vectorial para representar etiquetas y, por otro, utilizamos la función de pérdida exponencial multiclase para evaluar las respuestas. Esta codificación produce un conjunto de valores margen que conllevan un rango de penalizaciones en caso de fallo y recompensas en caso de acierto. La optimización iterativa del modelo genera un proceso de Boosting asimétrico cuyos costes dependen del número de etiquetas separadas por cada clasificador débil. De este modo nuestro algoritmo de Boosting tiene en cuenta el desbalanceo debido a las clases a la hora de construir el clasificador. El resultado es un método bien fundamentado que extiende de manera canónica al AdaBoost original. El segundo algoritmo propuesto, BAdaCost, está concebido para problemas multiclase dotados de una matriz de costes. Motivados por los escasos trabajos dedicados a generalizar AdaBoost al terreno multiclase con costes, hemos propuesto un nuevo concepto de margen que, a su vez, permite derivar una función de pérdida adecuada para evaluar costes. Consideramos nuestro algoritmo como la extensión más canónica de AdaBoost para este tipo de problemas, ya que generaliza a los algoritmos SAMME, Cost-Sensitive AdaBoost y PIBoost. Por otro lado, sugerimos un simple procedimiento para calcular matrices de coste adecuadas para mejorar el rendimiento de Boosting a la hora de abordar problemas estándar y problemas con datos desbalanceados. Una serie de experimentos nos sirven para demostrar la efectividad de ambos métodos frente a otros conocidos algoritmos de Boosting multiclase en sus respectivas áreas. En dichos experimentos se usan bases de datos de referencia en el área de Machine Learning, en primer lugar para minimizar errores y en segundo lugar para minimizar costes. Además, hemos podido aplicar BAdaCost con éxito a un proceso de segmentación, un caso particular de problema con datos desbalanceados. Concluimos justificando el horizonte de futuro que encierra el marco de trabajo que presentamos, tanto por su aplicabilidad como por su flexibilidad teórica. Abstract The family of Boosting algorithms represents a type of classification and regression approach that has shown to be very effective in Computer Vision problems. Such is the case of detection, tracking and recognition of faces, people, deformable objects and actions. The first and most popular algorithm, AdaBoost, was introduced in the context of binary classification. Since then, many works have been proposed to extend it to the more general multi-class, multi-label, costsensitive, etc... domains. Our interest is centered in extending AdaBoost to two problems in the multi-class field, considering it a first step for upcoming generalizations. In this dissertation we propose two Boosting algorithms for multi-class classification based on new generalizations of the concept of margin. The first of them, PIBoost, is conceived to tackle the multi-class problem by solving many binary sub-problems. We use a vectorial codification to represent class labels and a multi-class exponential loss function to evaluate classifier responses. This representation produces a set of margin values that provide a range of penalties for failures and rewards for successes. The stagewise optimization of this model introduces an asymmetric Boosting procedure whose costs depend on the number of classes separated by each weak-learner. In this way the Boosting procedure takes into account class imbalances when building the ensemble. The resulting algorithm is a well grounded method that canonically extends the original AdaBoost. The second algorithm proposed, BAdaCost, is conceived for multi-class problems endowed with a cost matrix. Motivated by the few cost-sensitive extensions of AdaBoost to the multi-class field, we propose a new margin that, in turn, yields a new loss function appropriate for evaluating costs. Since BAdaCost generalizes SAMME, Cost-Sensitive AdaBoost and PIBoost algorithms, we consider our algorithm as a canonical extension of AdaBoost to this kind of problems. We additionally suggest a simple procedure to compute cost matrices that improve the performance of Boosting in standard and unbalanced problems. A set of experiments is carried out to demonstrate the effectiveness of both methods against other relevant Boosting algorithms in their respective areas. In the experiments we resort to benchmark data sets used in the Machine Learning community, firstly for minimizing classification errors and secondly for minimizing costs. In addition, we successfully applied BAdaCost to a segmentation task, a particular problem in presence of imbalanced data. We conclude the thesis justifying the horizon of future improvements encompassed in our framework, due to its applicability and theoretical flexibility.

Development of a hand-gesture recognition system for human-computer interaction

The aim of this Master Thesis is the analysis, design and development of a robust and reliable Human-Computer Interaction interface, based on visual hand-gesture recognition. The implementation of the required functions is oriented to the simulation of a classical hardware interaction device: the mouse, by recognizing a specific hand-gesture vocabulary in color video sequences. For this purpose, a prototype of a hand-gesture recognition system has been designed and implemented, which is composed of three stages: detection, tracking and recognition. This system is based on machine learning methods and pattern recognition techniques, which have been integrated together with other image processing approaches to get a high recognition accuracy and a low computational cost. Regarding pattern recongition techniques, several algorithms and strategies have been designed and implemented, which are applicable to color images and video sequences. The design of these algorithms has the purpose of extracting spatial and spatio-temporal features from static and dynamic hand gestures, in order to identify them in a robust and reliable way. Finally, a visual database containing the necessary vocabulary of gestures for interacting with the computer has been created.

Dimensionality Reduction Through Sub-Space Mapping for Nearest Neighbour Algorithms

Postprint

Approximation algorithms

Increasing global competition, rapidly changing markets, and greater consumer awareness have altered the way in which corporations do business. To become more efficient, many industries have sought to model some operational aspects by gigantic optimization problems. It is not atypical to encounter models that capture 106 separate “yes” or “no” decisions to be made. Although one could, in principle, try all 2106 possible solutions to find the optimal one, such a method would be impractically slow. Unfortunately, for most of these models, no algorithms are known that find optimal solutions with reasonable computation times. Typically, industry must rely on solutions of unguaranteed quality that are constructed in an ad hoc manner. Fortunately, for some of these models there are good approximation algorithms: algorithms that produce solutions quickly that are provably close to optimal. Over the past 6 years, there has been a sequence of major breakthroughs in our understanding of the design of approximation algorithms and of limits to obtaining such performance guarantees; this area has been one of the most flourishing areas of discrete mathematics and theoretical computer science.

Simulating spin systems on IANUS, an FPGA-based computer

We describe the hardwired implementation of algorithms for Monte Carlo simulations of a large class of spin models. We have implemented these algorithms as VHDL codes and we have mapped them onto a dedicated processor based on a large FPGA device. The measured performance on one such processor is comparable to O(100) carefully programmed high-end PCs: it turns out to be even better for some selected spin models. We describe here codes that we are currently executing on the IANUS massively parallel FPGA-based system.

Ianus: an adaptive FPGA computer

Dedicated machines designed for specific computational algorithms can outperform conventional computers by several orders of magnitude. In this note we describe Ianus, a new generation FPGA based machine and its basic features: hardware integration and wide reprogrammability. Our goal is to build a machine that can fully exploit the performance potential of new generation FPGA devices. We also plan a software platform which simplifies its programming, in order to extend its intended range of application to a wide class of interesting and computationally demanding problems. The decision to develop a dedicated processor is a complex one, involving careful assessment of its performance lead, during its expected lifetime, over traditional computers, taking into account their performance increase, as predicted by Moore’s law. We discuss this point in detail.