The theory of non-orthogonal spin-adaptation for closed-shell molecular systems is presented, with an emphasis on application to the coupled cluster family of electronic structure methods. To aid in the derivation of efficient and compact working equations, a new diagrammatic interpretation of the Goldstone diagrams is derived which only requires a small number of the many distinct diagrams and which directly produces equations in a factored form in terms of “spin-summed” tensor elements. This diagrammatic interpretation is applied to coupled cluster methods with quadruple excitations (CCSDTQ), including coupled cluster with a perturbative correction for quadruple excitations (CCSDT(Q)) and to CCSDTQ gradients and properties. The advantages of the non-orthogonal spin-adaption with respect to simplification and factorization of the working equations and to efficient implementation are presented and discussed. Additionally, specific optimizations of the implementation for often-overlooked issues such as tensor transposition, disk access, and removal of redundant and/or unnecessary operations are detailed. The resulting algorithm is implemented for the CCSDTQ and CCSDT(Q) methods and compared to existing codes, where a one to two order-of-magnitude improvement in efficiency is observed. The new implementation is also used for calculations on several larger molecular systems to illustrate the scalability of the method. / text

近年來，許多專家學者廣泛探討偵測稀有疾病的發生率或稱為叢集上的空間或空間對時間的統計方法及模型。這些方法大部分都是處理個別資料或是只能偵測接近圓形的叢集。在這篇論文中，根據Choynowski在1959年所探討的方法，我們進一步提出針對整體資料去偵測非圓形叢集的方法，並且會將此方法與Nagarwalla’s Spatial Scan Statistic做比較。同時，我們會呈現模擬結果中的型一、型二誤差來衡量此方法的可行性。另外，我們也會將此方法實際應用到台灣的癌症死亡資料做探討。 / In recent years, many statistical methods have been proposed for detecting excesses of rare diseases, i.e., clusters, in space or in space-time. Most of these methods deal with case-event or individual-level data and can only detect clusters with shape close to circles. In this study, adapting Choynowski's (1959) idea, a simulation-based approach is proposed to detect non-circular clusters with aggregate or group-level data. The proposed cluster detection method will be used to compare with a frequently used method: Nagarwalla’s Spatial Scan Statistic. Computer simulation is used to illustrate the validity, with respect to Type-I and Type-II errors, of the proposed approach. In addition, the cancer mortality data in Taiwan area are also used as a demonstration of the proposed test.

Dans un système distribué, différents processus communiquent et se synchronisent pour résoudre un calcul global. La difficulté vient du fait qu'un processus ne connait pas les entrées des autres. Nous considérons ici un système asynchrone: on ne fait aucune hypothèses sur les vitesses d'exécution relatives des différents processus. De plus, pour modéliser les pannes, nous considérons que les processus peuvent crasher: ils peuvent arrêter leur exécution à n'importe quel endroit de leur programme. Dans l'étude théorique des systèmes distribués, les problèmes doivent être considérés selon deux aspects: la sûreté et la progression. La sûreté définit quand une valeur de sortie est correcte. La progression définit dans quelles conditions un processus doit terminer une opération, indépendamment de la valeur qu'il choisit comme sortie. Cette thèse se concentre sur les liens entre calculabilité et conditions de progression des objets distribués. Dans un premier temps, nous introduisons et étudions la notion de conditions de progression asymétriques: des conditions de progression qui peuvent être différentes pour différents processus du système. Nous étudions ensuite la possibilité de fournir des abstractions dans un système donné. La question de l'équivalence de modèles de systèmes est ensuite abordée, en particulier dans le cas où les processus ont accès à des objets puissants. Pour finir, la thèse traite le sujet des tâches colorées en fournissant un algorithme de renommage adapté au cas où la concurrence est réduite. Une nouvelle classe de tâches colorées est enfin introduite qui englobe, sous un formalisme unique, plusieurs problèmes considérés jusqu'ici comme indépendants.

Nous proposons une approche de structuration des activités d'un cluster d'innovation. Nos apports se font à deux niveaux : une aide à la gouvernance et à la structuration des activités, et une méthodologie de sélection et d'accompagnement des projets innovants potentiellement les plus créateurs de valeur de ce cluster. Une application est présentée dans le cadre du développement de la grappe d'entreprises SOLIAGE pour favoriser l'innovation en gérontechnologie. Notre premier apport, d'ordre organisationnel, consiste à structurer le passage d'une phase d'émergence à celle de développement d'une grappe d'entreprises. L'objectif est de permettre à cette organisation participative de se doter d'une vision et de valeurs, d'objectifs, d'une gouvernance, d'un plan d'action qui soient pleinement partagés par ses membres. Ceci est rendu possible par le développement d'une dynamique de coopération et de confiance entre les membres. Ainsi, nous appliquons la méthode PAT-Miroir® qui a permis de structurer l'ensemble des axes d'actions stratégiques du cluster. Notre second apport consiste à structurer et professionnaliser un fond d'innovation finançant et/ou accompagnant des projets les plus créateurs de valeurs dès l'émergence d'une idée, d'un nouveau produit et/ou service. Sur les principes de la méthodologie Radical Innovation Design®, nous avons conçu un système de sélection de projets d'innovation en gérontechnologie, nommé SAPIGE®, qui présente des éléments de preuve suffisants de valeur, d'innovation et de concept. Nous proposons ensuite une logique de financement et/ou d'accompagnement. L'accompagnement vise à renforcer les preuves de valeur, d'innovation et de concept en faisant appel à l'expertise des membres de la grappe d'entreprises.

No description available.

By virtue of its proximity, the Virgo Cluster is an ideal laboratory for us to test our understanding of the formation of structure in our Universe. In this spirit, we present a dynamical study of 33 gas-poor and 34 gas-rich Virgo galaxies as part of the Spectroscopic and H-band Imaging of Virgo survey. Our final spectroscopic data set was acquired at the 3.5-m telescope at the Apache Point Observatory. Hα rotation curves for the gas-rich galaxies were modelled with a multi-parameter fit function from which various velocity measurements were inferred. Analog values were measured off of the observed rotation curves, but yielded noisier scaling relations, such as the luminosity-velocity relation (also known as the Tully-Fisher relation). Our best i-band Tully-Fisher relation has slope α=-7.2 ± 0.5 and intercept M_i(2.3)=-21.5 ± 1.1 mag, matching similar previous studies. Our study takes advantage of our own, as well as literature, data; we plan to continue expanding our compilation in order to build the largest Tully-Fisher relation for a cluster to date. Following extensive testing of the IDL routine pPXF, extended velocity dispersion profiles were extracted for our gas-poor galaxies. Considering the lack of a common standard for the measurement of a fiducial galaxy velocity dispersion in the literature, we have endeavoured to rectify this situation by determining the radius at which the measured velocity dispersion, coupled with the galaxy luminosity, yields the tightest Faber-Jackson relation. We found that radius to be 1.5 R_e, which exceeds the extent of most dispersion profiles in other works. The slope of our Faber-Jackson relation is α=-4.3 ± 0.2, which closely matches the virial value of 4. This analysis will soon be applied to a study of the Virgo Cluster Fundamental Plane. Rotation correction of our dispersion profiles will also permit the study of galaxies' velocity dispersion profile shapes in an attempt to refine our understanding of the overall manifold of galaxy structural parameters. / Thesis (Master, Physics, Engineering Physics and Astronomy) -- Queen's University, 2012-12-22 19:09:06.192

The primary focus of my PhD is to quantify the spatial distribution of star-forming environments from optical to radio wavelengths using data from the Hubble Space Telescope, the Very Large Telescope, the Spitzer Space Telescope, the Herschel Space Observatory, and the Caltech Submillimeter Observatory. Towards the end of my PhD study I have developed theoretical models. With these observational and theoretical avenues I have led a series of research projects to (1) quantify the initial spatial structure of pre-stellar cores and proto-stars, (2) test whether massive stars can form in isolation or not, (3) and develop a theoretical model on how young massive clusters form. These research projects have been fruitful as my collaborators and I have shown that pre-stellar cores and stars form in a smooth continuum of surface densities from a few to thousands of stars per pc^2. These two works have important implications on our understanding of what a young stellar cluster is and how star forming environments can evolve to form field star populations or gravitationally bound clusters. In my second study my collaborators and I found evidence for isolated massive star formation in the active star forming region 30 Doradus, in the Large Magellanic Cloud. The result impacts the field of the initial mass function and star formation models. Massive stars forming in isolation is consistent with a stochastically sampled initial mass function. Additionally, the result would put constraints on theoretical models on massive star formation. Continuing my work on massive star forming environments my collaborators and I have developed a theoretical model on how young massive clusters form. From the models we argue that feedback energies can be contained by the gravitational potential well of the massive progenitors. Furthermore, we predict the physical properties the massive cluster progenitors in terms of initial gas mass, radii and flux brightness to enable a search for these objects in Galactic plane surveys and upcoming telescopes. Using the common thread of spatial distribution analysis of star formation I describe my future research plans, which entails studies on extragalactic scales in the conclusion.

In the contemporary tourism industry, the competitive game is between destinations. Tourism operations struggle to remain competitive on the international market and their success depends to a large extent on other complementary and competing tourism organizations at the destination. It is the sum of the total tourism offerings at the destination which determines its attractiveness. This research explores tourism collaboration process as a means of generating destination competitiveness. The focus of the research is on the enhancing factors which contribute to the success of the collaboration and to the development of quality tourism products. The research studies the case of Biking Dalarna, a collaboration of different organizations at five biking destinations in Dalarna, Sweden. Its purpose is to develop biking tourism in the region and to make Dalarna into Sweden’s leading biking destination. It is a qualitative research; the empirical data was collected through in depth interviews with representatives of six Biking Dalarna member organizations. The qualitative data collected from the participants provides inside look into the members reflections and experience of collaborating. The findings of this research demonstrate how collaboration has improved the biking product in Dalarna and promoted solutions to development problems. The research finds the good relationship between the collaborating actors and the involvement and leadership of the regional tourism management organization as the most contributing factors to the success of Biking Dalarna. The research also suggests that a third desired outcome of collaboration, improved marketing attributes was yet to be achieved in the case of Biking Dalarna.

Since an extratropical transition (ET) of a decaying tropical cyclone (TC) often results in a fast-moving, rapidly developing extratropical cyclone and amplification of synoptic-scale systems far downstream, proper forecasting of ET events is critical to forecast accuracy over large ocean regions. Past studies have linked forecast accuracy to the phasing of a decaying TC with favorable midlatitudes conditions. Because ET events are sensitive to the analyzed initial conditions, this phasing is examined using 11 member ensemble predictions available four times daily from the National Centers for Environmental Prediction, which were combined into a single 44 member ensemble based on a common forecast verification time. Recurring ET patterns within the 44 member ensemble were objectively identified using a combination of EOF and cluster analysis. Ensemble spread first appears near the point where the TC moves into the midlatitudes and then propagates downstream. Although ensemble spread in the forecast fields was large at extended forecast intervals, the ensemble spread, and the number of ET patterns identified in successive EPS predictions, decreased as the ET process became better defined. Within 48 hours of the ET event, the ensemble prediction system properly identified the ET pattern with a minimum ensemble spread. Similar to Klein et al. (2002), the shifts in the initial position of the TC and the subsequent dynamical coupling can explain differences between weak and strong ET reintensifications.

Business process models are an important means to design, analyze, implement, and control business processes. As with every type of conceptual model, a business process model has to meet certain syntactic, semantic, and pragmatic quality requirements to be of value. For many years, such quality aspects were investigated by centering on the properties of the model artifact itself. Only recently, the process of model creation is considered as a factor that influences the resulting model's quality. Our work contributes to this stream of research and presents an explorative analysis of the process of process modeling (PPM). We report on two large-scale modeling sessions involving 115 students. In these sessions, the act of model creation, i.e., the PPM, was automatically recorded. We conducted a cluster analysis on this data and identified three distinct styles of modeling. Further, we investigated how both task- and modeler-specific factors influence particular aspects of those modeling styles. Based thereupon, we propose a model that captures our insights. It lays the foundations for future research that may unveil how high-quality process models can be established through better modeling support and modeling instruction. (authors' abstract)