Xsophe, A computer simulation software suite (v 1.1) and its application to the analysis of EPR spectra from the molbydoenzyme dimethylsulfide dehydrogenase

Proceedings of the 44th Rocky Mountain conference on analytical chemistry

A semantic modelling approach to knowledge based statistical software

The topic of this thesis is the development of knowledge based statistical software. The shortcomings of conventional statistical packages are discussed to illustrate the need to develop software which is able to exhibit a greater degree of statistical expertise, thereby reducing the misuse of statistical methods by those not well versed in the art of statistical analysis. Some of the issues involved in the development of knowledge based software are presented and a review is given of some of the systems that have been developed so far. The majority of these have moved away from conventional architectures by adopting what can be termed an expert systems approach. The thesis then proposes an approach which is based upon the concept of semantic modelling. By representing some of the semantic meaning of data, it is conceived that a system could examine a request to apply a statistical technique and check if the use of the chosen technique was semantically sound, i.e. will the results obtained be meaningful. Current systems, in contrast, can only perform what can be considered as syntactic checks. The prototype system that has been implemented to explore the feasibility of such an approach is presented, the system has been designed as an enhanced variant of a conventional style statistical package. This involved developing a semantic data model to represent some of the statistically relevant knowledge about data and identifying sets of requirements that should be met for the application of the statistical techniques to be valid. Those areas of statistics covered in the prototype are measures of association and tests of location.

A systematic approach to establish fundamental principles of computer applications packages design

This work attempts to create a systemic design framework for man-machine interfaces which is self consistent, compatible with other concepts, and applicable to real situations. This is tackled by examining the current architecture of computer applications packages. The treatment in the main is philosophical and theoretical and analyses the origins, assumptions and current practice of the design of applications packages. It proposes that the present form of packages is fundamentally contradictory to the notion of packaging itself. This is because as an indivisible ready-to-implement solution, current package architecture displays the following major disadvantages. First, it creates problems as a result of user-package interactions, in which the designer tries to mould all potential individual users, no matter how diverse they are, into one model. This is worsened by the minute provision, if any, of important properties such as flexibility, independence and impartiality. Second, it displays rigid structure that reduces the variety and/or multi-use of the component parts of such a package. Third, it dictates specific hardware and software configurations which probably results in reducing the number of degrees of freedom of its user. Fourth, it increases the dependence of its user upon its supplier through inadequate documentation and understanding of the package. Fifth, it tends to cause a degeneration of the expertise of design of the data processing practitioners. In view of this understanding an alternative methodological design framework which is both consistent with systems approach and the role of a package in its likely context is proposed. The proposition is based upon an extension of the identified concept of the hierarchy of holons* which facilitates the examination of the complex relationships of a package with its two principal environments. First, the user characteristics and his decision making practice and procedures; implying an examination of the user's M.I.S. network. Second, the software environment and its influence upon a package regarding support, control and operation of the package. The framework is built gradually as discussion advances around the central theme of a compatible M.I.S., software and model design. This leads to the formation of the alternative package architecture that is based upon the design of a number of independent, self-contained small parts. Such is believed to constitute the nucleus around which not only packages can be more effectively designed, but is also applicable to many man-machine systems design.

The value of proprietary health and safety software to proactive health and safety management

There has been little research in health and safety management concernmg the application of information technology to the field. This thesis attempts to stimulate interest in this area by analysing the value of proprietary health and safety software to proactive health and safety management. The thesis is based upon the detailed software evaluation of seven pieces of proprietary health and safety software. It features a discussion concerning the development of information technology and health and safety management, a review of the key issues identified during the software evaluations, an analysis of the commercial market for this type of software, and a consideration of the broader issues which surround the use of this software. It also includes practical guidance for the evaluation, selection, implementation and maintenance of all health and safety management software. This includes a comprehensive software evaluation chart. The implications of the research are considered for proprietary health and safety software, the application of information technology to health and safety management, and for future research.

Uma abordagem para evolução e reconciliação de linhas de produtos de software clonadas

Software product line engineering promotes large software reuse by developing a system family that shares a set of developed core features, and enables the selection and customization of a set of variabilities that distinguish each software product family from the others. In order to address the time-to-market, the software industry has been using the clone-and-own technique to create and manage new software products or product lines. Despite its advantages, the clone-and-own approach brings several difficulties for the evolution and reconciliation of the software product lines, especially because of the code conflicts generated by the simultaneous evolution of the original software product line, called Source, and its cloned products, called Target. This thesis proposes an approach to evolve and reconcile cloned products based on mining software repositories and code conflict analysis techniques. The approach provides support to the identification of different kinds of code conflicts – lexical, structural and semantics – that can occur during development task integration – bug correction, enhancements and new use cases – from the original evolved software product line to the cloned product line. We have also conducted an empirical study of characterization of the code conflicts produced during the evolution and merging of two large-scale web information system product lines. The results of our study demonstrate the approach potential to automatically or semi-automatically solve several existing code conflicts thus contributing to reduce the complexity and costs of the reconciliation of cloned software product lines.

Multi-objective ant colony optimization for requirements selection

The selection of a set of requirements between all the requirements previously defined by customers is an important process, repeated at the beginning of each development step when an incremental or agile software development approach is adopted. The set of selected requirements will be developed during the actual iteration. This selection problem can be reformulated as a search problem, allowing its treatment with metaheuristic optimization techniques. This paper studies how to apply Ant Colony Optimization algorithms to select requirements. First, we describe this problem formally extending an earlier version of the problem, and introduce a method based on Ant Colony System to find a variety of efficient solutions. The performance achieved by the Ant Colony System is compared with that of Greedy Randomized Adaptive Search Procedure and Non-dominated Sorting Genetic Algorithm, by means of computational experiments carried out on two instances of the problem constructed from data provided by the experts.

Ferramentas Web, Web 2.0 e software livre em EVT: estudo sobre a integração de ferramentas digitais no currículo da disciplina de educação visual e tecnológica

A utilização das TIC ocupam um lugar cada vez mais importante nas nossas escolas, marcado sobretudo pela evolução das tecnologias e pela utilização em contexto educativo de muitas ferramentas da Web 2.0. Esse facto é muito notório na disciplina de Educação Visual e Tecnológica, de carácter eminentemente prático, onde é permitido explorar várias ferramentas digitais para abordagem de conteúdos da disciplina e para a criação de produtos gráficos e plásticos. Com o aparecimento da Web 2.0 e a disponibilização de milhares de novas ferramentas digitais aos utilizadores da Internet, estimula-se um interesse cada vez maior na adoção de metodologias e estratégias com recurso a estes media e que suportem uma aprendizagem mais eficaz e motivadora para os alunos, articulando-se os suportes tradicionais de EVT com os novos media digitais. Neste contexto, o presente estudo é o resultado duma investigação-ação realizada no âmbito do Programa Doutoral em Multimédia em Educação da Universidade de Aveiro onde se implementou a integração de ferramentas da Web, Web 2.0 e Software Livre em contexto educativo na disciplina de EVT, na qual poderiam ser utilizadas tanto as técnicas tradicionais de realização mais usuais na disciplina como a integração e articulação com as ferramentas digitais, suportadas por software livre (e outros de utilização gratuita), a Web e a Web 2.0 para suporte ao ensino e aprendizagem dos diversos conteúdos e áreas de exploração da disciplina. Este estudo, desenhado em três ciclos, envolveu num primeiro momento a constituição de uma comunidade de prática de professores alargada, sendo criadas seis turmas de formação que reuniram um total de 112 professores que pretendiam integrar as ferramentas digitais em EVT. Para além da pesquisa, análise, seleção e catalogação destas 430 ferramentas digitais recenseadas, produziram-se 371 manuais de apoio à utilização das mesmas, sendo estes recursos disponibilizados no espaço do EVTdigital. Num segundo ciclo, decorrente da avaliação realizada, foi criada a distribuição EVTux para simplificar o acesso e utilização das ferramentas digitais em contexto de EVT. Finalmente, o terceiro ciclo, decorre da eliminação da disciplina de EVT do currículo do 2º ciclo do ensino básico e a sua substituição por duas novas disciplinas, tendo-se realizada a respetiva análise de conteúdo das metas curriculares e produzido a aplicação As ferramentas digitais do Mundo Visual, concebida para contextualizar e indexar as ferramentas digitais selecionadas para a nova disciplina de Educação Visual.Os resultados deste estudo apontam claramente para a possibilidade de integrar na disciplina de Educação Visual e Tecnológica (ou no presente momento, em Educação Visual) ferramentas digitais para abordagem aos conteúdos e áreas de exploração, bem como a possibilidade de se constituírem facilmente comunidades de prática (como foi o caso) que possam colaborar na catalogação destas ferramentas no contexto específico da disciplina e para a necessidade sentida pelos professores em obter informação e formação que os possa atualizar quanto à integração das TIC no currículo. Apresentam-se, ainda, as limitações deste estudo que passaram sobretudo pelo impacto negativo que a eliminação da disciplina provocou na motivação dos docentes e a sua consequente participação no decorrer de algumas fases do trabalho, e ainda da dificuldade de gestão de uma equipa de professores colaboradores tão numerosa e diversificada. Nesse sentido, são também apresentadas sugestões para estudos futuros.

Protocol to design techniques for implementing software development best practices

Software engineering best practices allow significantly improving the software development. However, the implementation of best practices requires skilled professionals, financial investment and technical support to facilitate implementation and achieve the respective improvement. In this paper we proposes a protocol to design techniques to implement best practices of software engineering. The protocol includes the identification and selection of process to improve, the study of standards and models, identification of best practices associated with the process and the possible implementation techniques. In addition, technical design activities are defined in order to create or adapt the techniques of implementing best practices for software development.

Base de Datos “I&D” Primera Experiencia con el Software Microisis, Versión 3.0 Multiusuario -Versión de Prueba-

La normalización facilita la comunicación y permite el intercambio de información con cualquier institución nacional o internacional. Este objetivo es posible a través de los formatos de comunicación para intercambio de información automatizada como CEPAL, MARC., FCC.La Escuela de Bibliotecología, Documentación e Información de la Universidad Nacional utiliza el software MICROISIS en red para la enseñanza. Las bases de datos que se diseñan utilizan el formato MARC y para la descripción bibliográfica las RCAA2.Se presenta la experiencia con la base de datos “I&D” sobre desarrollo rural, presentando la Tabla de Definición de Campos, la hoja de trabajo, el formato de despliegue y Tabla de selección de Campos.

The Implication of Using NVivo Software in Qualitative Data Analysis: Evidence-Based Reflections

For a long time, electronic data analysis has been associated with quantitative methods. However, Computer Assisted Qualitative Data Analysis Software (CAQDAS) are increasingly being developed. Although the CAQDAS has been there for decades, very few qualitative health researchers report using it. This may be due to the difficulties that one has to go through to master the software and the misconceptions that are associated with using CAQDAS. While the issue of mastering CAQDAS has received ample attention, little has been done to address the misconceptions associated with CAQDAS. In this paper, the author reflects on his experience of interacting with one of the popular CAQDAS (NVivo) in order to provide evidence-based implications of using the software. The key message is that unlike statistical software, the main function of CAQDAS is not to analyse data but rather to aid the analysis process, which the researcher must always remain in control of. In other words, researchers must equally know that no software can analyse qualitative data. CAQDAS are basically data management packages, which support the researcher during analysis.

Lightweight Middleware for Software Defined Radio (SDR) Inter-Components Communication

The ability to use Software Defined Radio (SDR) in the civilian mobile applications will make it possible for the next generation of mobile devices to handle multi-standard personal wireless devices and ubiquitous wireless devices. The original military standard created many beneficial characteristics for SDR, but resulted in a number of disadvantages as well. Many challenges in commercializing SDR are still the subject of interest in the software radio research community. Four main issues that have been already addressed are performance, size, weight, and power. This investigation presents an in-depth study of SDR inter-components communications in terms of total link delay related to the number of components and packet sizes in systems based on Software Communication Architecture (SCA). The study is based on the investigation of the controlled environment platform. Results suggest that the total link delay does not linearly increase with the number of components and the packet sizes. The closed form expression of the delay was modeled using a logistic function in terms of the number of components and packet sizes. The model performed well when the number of components was large. Based upon the mobility applications, energy consumption has become one of the most crucial limitations. SDR will not only provide flexibility of multi-protocol support, but this desirable feature will also bring a choice of mobile protocols. Having such a variety of choices available creates a problem in the selection of the most appropriate protocol to transmit. An investigation in a real-time algorithm to optimize energy efficiency was also performed. Communication energy models were used including switching estimation to develop a waveform selection algorithm. Simulations were performed to validate the concept.

Hub Location Problem e Site Selection: il caso FAAC Technologies

Questa tesi ha l’obbiettivo di studiare e seguire la creazione un modello matematico che possa risolvere un problema logistico di Hub Facility Location reale, per l’individuazione del posizionamento ottimale di uno o più depositi all’interno di una rete distributiva europea e per l’assegnazione dei rispettivi clienti. Si fa riferimento alla progettazione della rete logistica per rispondere alle necessità del cliente, relativamente ad una domanda multiprodotto. Questo problema è stato studiato a partire da un caso reale aziendale per la valutazione della convenienza nella sostituzione di quattro magazzini locali con uno/due hub logistici che possano servire tutte le aree. Il modello distributivo può anche essere adoperato per valutare l’effetto della variazione, dal punto di vista economico, del servizio di trasporto e di tariffario. La determinazione della posizione ottimale e del numero dei magazzini avviene tramite un modello matematico che considera al proprio interno sia costi fissi relativi alla gestione dei magazzini (quindi costo di stabilimento, personale e giacenza) e sia i costi relativi al trasporto e alla spedizione dei prodotti sulle diverse aree geografiche. In particolare, la formulazione matematica si fonda su un modello Programmazione Lineare Intera, risolto in tempi molto brevi attraverso un software di ottimizzazione, nonostante la grande mole di dati in input del problema. In particolare, si ha lo studio per l’integrazione di tariffari di trasporto diversi e delle economie di scala per dare consistenza ad un modello teorico. Inoltre, per ricercare la migliore soluzione di quelle ottenute sono poi emersi altri fattori oltre a quello economico, ad esempio il tempo di trasporto (transit-time) che è un fattore chiave per ottenere la soddisfazione e la fedeltà del cliente e attitudine dell’area geografica ad accogliere una piattaforma logistica, con un occhio sugli sviluppi futuri.

Petroleomics By Electrospray Ionization Ft-icr Mass Spectrometry Coupled To Partial Least Squares With Variable Selection Methods: Prediction Of The Total Acid Number Of Crude Oils.

Negative-ion mode electrospray ionization, ESI(-), with Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS) was coupled to a Partial Least Squares (PLS) regression and variable selection methods to estimate the total acid number (TAN) of Brazilian crude oil samples. Generally, ESI(-)-FT-ICR mass spectra present a power of resolution of ca. 500,000 and a mass accuracy less than 1 ppm, producing a data matrix containing over 5700 variables per sample. These variables correspond to heteroatom-containing species detected as deprotonated molecules, [M - H](-) ions, which are identified primarily as naphthenic acids, phenols and carbazole analog species. The TAN values for all samples ranged from 0.06 to 3.61 mg of KOH g(-1). To facilitate the spectral interpretation, three methods of variable selection were studied: variable importance in the projection (VIP), interval partial least squares (iPLS) and elimination of uninformative variables (UVE). The UVE method seems to be more appropriate for selecting important variables, reducing the dimension of the variables to 183 and producing a root mean square error of prediction of 0.32 mg of KOH g(-1). By reducing the size of the data, it was possible to relate the selected variables with their corresponding molecular formulas, thus identifying the main chemical species responsible for the TAN values.