A parallel method for solving pentadiagonal systems of linear equations

A new parallel approach for solving a pentadiagonal linear system is presented. The parallel partition method for this system and the TW parallel partition method on a chain of P processors are introduced and discussed. The result of this algorithm is a reduced pentadiagonal linear system of order P \Gamma 2 compared with a system of order 2P \Gamma 2 for the parallel partition method. More importantly the new method involves only half the number of communications startups than the parallel partition method (and other standard parallel methods) and hence is a far more efficient parallel algorithm.

CAPTools communications library (CAPLib) version 2.0-022

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The design and Evaluation of 'CAP Tools' - A computer aided parallelisation tool-kit

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Performance of case-based retrieval of 3-D shapes for the design of metal castings

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Two-stage open shop scheduling with a bottleneck machine

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Two-machine open shop scheduling with special transportation times

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Assembly scheduling with batching

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Flow shop scheduling problems under machine-dependent precedence constraints

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Respiração bucal

Introdução: A respiração nasal é a única considerada fisiológica para o ser humano, e proporciona o normal crescimento e desenvolvimento do complexo craniofacial. Qualquer alteração no mecanismo funcional poderá alterar o equilíbrio e conduzir a desvios da normalidade e a consequentes deformidades. Além de afetar as estruturas craniofaciais, a respiração bucal poderá afetar também as estruturas dentárias. Objetivo: Determinar a influência da respiração oral nas alterações oro-faciais, por meio de uma revisão da literatura publicada sobre o tema. Materiais e métodos: Foi realizado um levantamento bibliográfico de dados utilizando motores de busca eletrónicos, livros científicos e teses de mestrado. Os artigos foram selecionados segundo o seu nível de evidência científica. Resultados: A respiração oral é uma síndrome comum nas crianças em idade escolar, que se encontram em fase de crescimento e de desenvolvimento dos padrões craniofaciais. As possíveis alterações da função respiratória podem dar origem a modificações dentárias e faciais nestes pacientes. Conclusões: O diagnóstico precoce da respiração oral é de extrema importância, uma vez que pode influenciar o correto desenvolvimento da cavidade oral e do complexo craniofacial. Quando detetada deve-se procurar realizar uma avaliação das vias aéreas e dos possíveis hábitos orais do paciente. Em seguida é efetuada uma intervenção adequada e eficaz com o intuito de minimizar as consequências decorrentes da respiração oral.

Direct Numerical Simulation of Turbulent Flames

The present paper is a report on progress in the simulation of turbulent flames using the Cray T3D and T3E at the Edinburgh parallel computing centre, using codes developed in Cambridge. Two combustion DNS codes are described, ANGUS and SENGA, which solve incompressible and fully compressible reacting flows respectively. The technical background to combustion DNS is presented, and the resource requirements explained in terms of the physic and chemistry of the problem. Results for flame turbulence interaction studies are presented and discussed in terms of their relevance to modelling. Recent work on the fully compressible problem is highlighted and future directions outlined.

Advances in Deontic Logic [Review]

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A multilevel approach to the travelling salesman problem

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Artificial intelligence and criminal evidence: A few topics

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Analysis of Molecular Dynamics Simulations of Protein Folding

Microsecond long Molecular Dynamics (MD) trajectories of biomolecular processes are now possible due to advances in computer technology. Soon, trajectories long enough to probe dynamics over many milliseconds will become available. Since these timescales match the physiological timescales over which many small proteins fold, all atom MD simulations of protein folding are now becoming popular. To distill features of such large folding trajectories, we must develop methods that can both compress trajectory data to enable visualization, and that can yield themselves to further analysis, such as the finding of collective coordinates and reduction of the dynamics. Conventionally, clustering has been the most popular MD trajectory analysis technique, followed by principal component analysis (PCA). Simple clustering used in MD trajectory analysis suffers from various serious drawbacks, namely, (i) it is not data driven, (ii) it is unstable to noise and change in cutoff parameters, and (iii) since it does not take into account interrelationships amongst data points, the separation of data into clusters can often be artificial. Usually, partitions generated by clustering techniques are validated visually, but such validation is not possible for MD trajectories of protein folding, as the underlying structural transitions are not well understood. Rigorous cluster validation techniques may be adapted, but it is more crucial to reduce the dimensions in which MD trajectories reside, while still preserving their salient features. PCA has often been used for dimension reduction and while it is computationally inexpensive, being a linear method, it does not achieve good data compression. In this thesis, I propose a different method, a nonmetric multidimensional scaling (nMDS) technique, which achieves superior data compression by virtue of being nonlinear, and also provides a clear insight into the structural processes underlying MD trajectories. I illustrate the capabilities of nMDS by analyzing three complete villin headpiece folding and six norleucine mutant (NLE) folding trajectories simulated by Freddolino and Schulten [1]. Using these trajectories, I make comparisons between nMDS, PCA and clustering to demonstrate the superiority of nMDS. The three villin headpiece trajectories showed great structural heterogeneity. Apart from a few trivial features like early formation of secondary structure, no commonalities between trajectories were found. There were no units of residues or atoms found moving in concert across the trajectories. A flipping transition, corresponding to the flipping of helix 1 relative to the plane formed by helices 2 and 3 was observed towards the end of the folding process in all trajectories, when nearly all native contacts had been formed. However, the transition occurred through a different series of steps in all trajectories, indicating that it may not be a common transition in villin folding. The trajectories showed competition between local structure formation/hydrophobic collapse and global structure formation in all trajectories. Our analysis on the NLE trajectories confirms the notion that a tight hydrophobic core inhibits correct 3-D rearrangement. Only one of the six NLE trajectories folded, and it showed no flipping transition. All the other trajectories get trapped in hydrophobically collapsed states. The NLE residues were found to be buried deeply into the core, compared to the corresponding lysines in the villin headpiece, thereby making the core tighter and harder to undo for 3-D rearrangement. Our results suggest that the NLE may not be a fast folder as experiments suggest. The tightness of the hydrophobic core may be a very important factor in the folding of larger proteins. It is likely that chaperones like GroEL act to undo the tight hydrophobic core of proteins, after most secondary structure elements have been formed, so that global rearrangement is easier. I conclude by presenting facts about chaperone-protein complexes and propose further directions for the study of protein folding.

InfoScout: An interactive, entity centric, person search tool.

Individuals living in highly networked societies publish a large amount of personal, and potentially sensitive, information online. Web investigators can exploit such information for a variety of purposes, such as in background vetting and fraud detection. However, such investigations require a large number of expensive man hours and human effort. This paper describes InfoScout, a search tool which is intended to reduce the time it takes to identify and gather subject centric information on the Web. InfoScout collects relevance feedback information from the investigator in order to rerank search results, allowing the intended information to be discovered more quickly. Users may still direct their search as they see fit, issuing ad-hoc queries and filtering existing results by keywords. Design choices are informed by prior work and industry collaboration.