Implementing a Videoconferencing Studio in Cape Verde to Support a Blended Learning Education System

In 2004, the Calouste Gulbenkian Foundation invited the University of Aveiro to develop an education and training program in advanced topics of ICT for Cape Verde. The focus should be on technologies to support the development of distance education. Two years later, when the program was started, the University of Aveiro had a high-performance videoconferencing Studio installed by the Foundation for National Scientific Computing. However, the investment to duplicate this high quality structure and operating costs were not compatible neither with the project’s budget nor with the technological options available in Cape Verde. This paper demonstrates the decision-making process by an economically viable option to meet the needs and local peculiarities.

A dimensional analysis of the benzylic hydroxylase active site in mortierella isabellina

The spatial limits of the active site in the benzylic hydroxylase enzyme of the fungus Mortierella isabellina were investigated. Several molecular probes were used in incubation experiments to determine the acceptability of each compound by this enzyme. The yields of benzylic alcohols provided information on the acceptability of the particular compound into the active site, and the enantiomeric excess values provided information on the "fit" of acceptable substrates. Measurements of the molecular models were made using Cambridge Scientific Computing Inc. CSC Chem 3D Plus modeling program. i The dimensional limits of the aromatic binding pocket of the benzylic hydroxylase were tested using suitably substituted ethyl benzenes. Both the depth (para substituted substrates) and width (ortho and meta substituted substrates) of this region were investigated, with results demonstrating absolute spatial limits in both directions in the plane of the aromatic ring of 7.3 Angstroms for the depth and 7.1 Angstroms for the width. A minimum requirement for the height of this region has also been established at 6.2 Angstroms. The region containing the active oxygen species was also investigated, using a series of alkylphenylmethanes and fused ring systems in indan, 1,2,3,4-tetrahydronaphthalene and benzocycloheptene substrates. A maximum distance of 6.9 Angstroms (including the 1.5 Angstroms from the phenyl substituent to the active center of the heme prosthetic group of the enzyme) has been established extending directly in ii front of the aromatic binding pocket. The other dimensions in this region of the benzylic hydroxylase active site will require further investigation to establish maximum allowable values. An explanation of the stereochemical distributions in the obtained products has also been put forth that correlates well with the experimental observations.

Calcul en n-dimensions sur GPU

Le code source de la libraire développée accompagne ce dépôt dans l'état où il était à ce moment. Il est possible de trouver une version plus à jour sur github (http://github.com/abergeron).

Design, Development and Realization of Quadratic Volterra Filters for Selected Applications

The basic concepts of digital signal processing are taught to the students in engineering and science. The focus of the course is on linear, time invariant systems. The question as to what happens when the system is governed by a quadratic or cubic equation remains unanswered in the vast majority of literature on signal processing. Light has been shed on this problem when John V Mathews and Giovanni L Sicuranza published the book Polynomial Signal Processing. This book opened up an unseen vista of polynomial systems for signal and image processing. The book presented the theory and implementations of both adaptive and non-adaptive FIR and IIR quadratic systems which offer improved performance than conventional linear systems. The theory of quadratic systems presents a pristine and virgin area of research that offers computationally intensive work. Once the area of research is selected, the next issue is the choice of the software tool to carry out the work. Conventional languages like C and C++ are easily eliminated as they are not interpreted and lack good quality plotting libraries. MATLAB is proved to be very slow and so do SCILAB and Octave. The search for a language for scientific computing that was as fast as C, but with a good quality plotting library, ended up in Python, a distant relative of LISP. It proved to be ideal for scientific computing. An account of the use of Python, its scientific computing package scipy and the plotting library pylab is given in the appendix Initially, work is focused on designing predictors that exploit the polynomial nonlinearities inherent in speech generation mechanisms. Soon, the work got diverted into medical image processing which offered more potential to exploit by the use of quadratic methods. The major focus in this area is on quadratic edge detection methods for retinal images and fingerprints as well as de-noising raw MRI signals

A numerical study of the probe method

The goal of this work is the numerical realization of the probe method suggested by Ikehata for the detection of an obstacle D in inverse scattering. The main idea of the method is to use probes in the form of point source (., z) with source point z to define an indicator function (I) over cap (z) which can be reconstructed from Cauchy data or far. eld data. The indicator function boolean AND (I) over cap (z) can be shown to blow off when the source point z tends to the boundary aD, and this behavior can be used to find D. To study the feasibility of the probe method we will use two equivalent formulations of the indicator function. We will carry out the numerical realization of the functional and show reconstructions of a sound-soft obstacle.

Approximate factorization constraint preconditioners for saddle-point matrices

We consider the application of the conjugate gradient method to the solution of large, symmetric indefinite linear systems. Special emphasis is put on the use of constraint preconditioners and a new factorization that can reduce the number of flops required by the preconditioning step. Results concerning the eigenvalues of the preconditioned matrix and its minimum polynomial are given. Numerical experiments validate these conclusions.

A collaborative working environment for a large scale environmental model

Large scientific applications are usually developed, tested and used by a group of geographically dispersed scientists. The problems associated with the remote development and data sharing could be tackled by using collaborative working environments. There are various tools and software to create collaborative working environments. Some software frameworks, currently available, use these tools and software to enable remote job submission and file transfer on top of existing grid infrastructures. However, for many large scientific applications, further efforts need to be put to prepare a framework which offers application-centric facilities. Unified Air Pollution Model (UNI-DEM), developed by Danish Environmental Research Institute, is an example of a large scientific application which is in a continuous development and experimenting process by different institutes in Europe. This paper intends to design a collaborative distributed computing environment for UNI-DEM in particular but the framework proposed may also fit to many large scientific applications as well.

An Exponentially Convergent Nonpolynomial Finite Element Method for Time-Harmonic Scattering from Polygons

In recent years nonpolynomial finite element methods have received increasing attention for the efficient solution of wave problems. As with their close cousin the method of particular solutions, high efficiency comes from using solutions to the Helmholtz equation as basis functions. We present and analyze such a method for the scattering of two-dimensional scalar waves from a polygonal domain that achieves exponential convergence purely by increasing the number of basis functions in each element. Key ingredients are the use of basis functions that capture the singularities at corners and the representation of the scattered field towards infinity by a combination of fundamental solutions. The solution is obtained by minimizing a least-squares functional, which we discretize in such a way that a matrix least-squares problem is obtained. We give computable exponential bounds on the rate of convergence of the least-squares functional that are in very good agreement with the observed numerical convergence. Challenging numerical examples, including a nonconvex polygon with several corner singularities, and a cavity domain, are solved to around 10 digits of accuracy with a few seconds of CPU time. The examples are implemented concisely with MPSpack, a MATLAB toolbox for wave computations with nonpolynomial basis functions, developed by the authors. A code example is included.

A nonparametric ensemble transform method for Bayesian inference

Many applications, such as intermittent data assimilation, lead to a recursive application of Bayesian inference within a Monte Carlo context. Popular data assimilation algorithms include sequential Monte Carlo methods and ensemble Kalman filters (EnKFs). These methods differ in the way Bayesian inference is implemented. Sequential Monte Carlo methods rely on importance sampling combined with a resampling step, while EnKFs utilize a linear transformation of Monte Carlo samples based on the classic Kalman filter. While EnKFs have proven to be quite robust even for small ensemble sizes, they are not consistent since their derivation relies on a linear regression ansatz. In this paper, we propose another transform method, which does not rely on any a priori assumptions on the underlying prior and posterior distributions. The new method is based on solving an optimal transportation problem for discrete random variables. © 2013, Society for Industrial and Applied Mathematics

A finite element method for nonlinear elliptic problems

We present a Galerkin method with piecewise polynomial continuous elements for fully nonlinear elliptic equations. A key tool is the discretization proposed in Lakkis and Pryer, 2011, allowing us to work directly on the strong form of a linear PDE. An added benefit to making use of this discretization method is that a recovered (finite element) Hessian is a byproduct of the solution process. We build on the linear method and ultimately construct two different methodologies for the solution of second order fully nonlinear PDEs. Benchmark numerical results illustrate the convergence properties of the scheme for some test problems as well as the Monge–Amp`ere equation and the Pucci equation.

A finite element method for second order nonvariational elliptic problems

We propose a numerical method to approximate the solution of second order elliptic problems in nonvariational form. The method is of Galerkin type using conforming finite elements and applied directly to the nonvariational (nondivergence) form of a second order linear elliptic problem. The key tools are an appropriate concept of “finite element Hessian” and a Schur complement approach to solving the resulting linear algebra problem. The method is illustrated with computational experiments on three linear and one quasi-linear PDE, all in nonvariational form.

A Floating-point Extended Kalman Filter Implementation for Autonomous Mobile Robots

Localization and Mapping are two of the most important capabilities for autonomous mobile robots and have been receiving considerable attention from the scientific computing community over the last 10 years. One of the most efficient methods to address these problems is based on the use of the Extended Kalman Filter (EKF). The EKF simultaneously estimates a model of the environment (map) and the position of the robot based on odometric and exteroceptive sensor information. As this algorithm demands a considerable amount of computation, it is usually executed on high end PCs coupled to the robot. In this work we present an FPGA-based architecture for the EKF algorithm that is capable of processing two-dimensional maps containing up to 1.8 k features at real time (14 Hz), a three-fold improvement over a Pentium M 1.6 GHz, and a 13-fold improvement over an ARM920T 200 MHz. The proposed architecture also consumes only 1.3% of the Pentium and 12.3% of the ARM energy per feature.

Solvent effects on the electronic absorption spectrum of camphor using continuum, discrete or explicit approaches

We address the effect of solvation on the lowest electronic excitation energy of camphor. The solvents considered represent a large variation in-solvent polarity. We consider three conceptually different ways of accounting for the solvent using either an implicit, a discrete or an explicit solvation model. The solvatochromic shifts in polar solvents are found to be in good agreement with the experimental data for all three solvent models. However, both the implicit and discrete solvation models are less successful in predicting solvatochromic shifts for solvents of low polarity. The results presented suggest the importance of using explicit solvent molecules in the case of nonpolar solvents. (C) 2009 Elsevier B.V. All rights reserved.