Global ETD Search

1481	A deep learning theory for neural networks grounded in physics Scellier, Benjamin 12 1900 (has links) Au cours de la dernière décennie, l'apprentissage profond est devenu une composante majeure de l'intelligence artificielle, ayant mené à une série d'avancées capitales dans une variété de domaines. L'un des piliers de l'apprentissage profond est l'optimisation de fonction de coût par l'algorithme du gradient stochastique (SGD). Traditionnellement en apprentissage profond, les réseaux de neurones sont des fonctions mathématiques différentiables, et les gradients requis pour l'algorithme SGD sont calculés par rétropropagation. Cependant, les architectures informatiques sur lesquelles ces réseaux de neurones sont implémentés et entraînés souffrent d’inefficacités en vitesse et en énergie, dues à la séparation de la mémoire et des calculs dans ces architectures. Pour résoudre ces problèmes, le neuromorphique vise à implementer les réseaux de neurones dans des architectures qui fusionnent mémoire et calculs, imitant plus fidèlement le cerveau. Dans cette thèse, nous soutenons que pour construire efficacement des réseaux de neurones dans des architectures neuromorphiques, il est nécessaire de repenser les algorithmes pour les implémenter et les entraîner. Nous présentons un cadre mathématique alternative, compatible lui aussi avec l’algorithme SGD, qui permet de concevoir des réseaux de neurones dans des substrats qui exploitent mieux les lois de la physique. Notre cadre mathématique s'applique à une très large classe de modèles, à savoir les systèmes dont l'état ou la dynamique sont décrits par des équations variationnelles. La procédure pour calculer les gradients de la fonction de coût dans de tels systèmes (qui dans de nombreux cas pratiques ne nécessite que de l'information locale pour chaque paramètre) est appelée “equilibrium propagation” (EqProp). Comme beaucoup de systèmes en physique et en ingénierie peuvent être décrits par des principes variationnels, notre cadre mathématique peut potentiellement s'appliquer à une grande variété de systèmes physiques, dont les applications vont au delà du neuromorphique et touchent divers champs d'ingénierie. / In the last decade, deep learning has become a major component of artificial intelligence, leading to a series of breakthroughs across a wide variety of domains. The workhorse of deep learning is the optimization of loss functions by stochastic gradient descent (SGD). Traditionally in deep learning, neural networks are differentiable mathematical functions, and the loss gradients required for SGD are computed with the backpropagation algorithm. However, the computer architectures on which these neural networks are implemented and trained suffer from speed and energy inefficiency issues, due to the separation of memory and processing in these architectures. To solve these problems, the field of neuromorphic computing aims at implementing neural networks on hardware architectures that merge memory and processing, just like brains do. In this thesis, we argue that building large, fast and efficient neural networks on neuromorphic architectures also requires rethinking the algorithms to implement and train them. We present an alternative mathematical framework, also compatible with SGD, which offers the possibility to design neural networks in substrates that directly exploit the laws of physics. Our framework applies to a very broad class of models, namely those whose state or dynamics are described by variational equations. This includes physical systems whose equilibrium state minimizes an energy function, and physical systems whose trajectory minimizes an action functional (principle of least action). We present a simple procedure to compute the loss gradients in such systems, called equilibrium propagation (EqProp), which requires solely locally available information for each trainable parameter. Since many models in physics and engineering can be described by variational principles, our framework has the potential to be applied to a broad variety of physical systems, whose applications extend to various fields of engineering, beyond neuromorphic computing. deep learning machine learning physics equilibrium propagation energy-based model variational principle principle of least action local learning rule stochastic gradient descent Hopfield network resistive network neuromorphic computing circuit theory principle of minimum dissipated power co-content Apprentissage profond Apprentissage machine Système physique Modèle à énergie Principe variationnel Principe de moindre action Règle d’apprentissage locale Algorithme du gradient stochastique Réseau de Hopfield Réseau resistif Théorie des circuits électriques Calcul neuromorphique
1482	Compulsory patent licensing and access to essential medicines in developing countries after the Doha Declaration Adesola, Eniola Olufemi 09 July 2015 (has links) In 2001 the Declaration on the TRIPS Agreement and Public Health (‘Doha Declaration’), affirmed the right of member states of the World Trade Organisation (‘WTO’) to interpret and implement the TRIPS Agreement as supportive of the protection of public health and, in particular, access to medicines. While initially well-received, consternation soon arose over the interpretation of a specific paragraph in the Doha Declaration dealing with compulsory licensing. After a further two years of deliberation, the WTO Decision on the Interpretation of Paragraph 6 (‘Paragraph-6 Decision’) was announced in August 2003 specifying when countries can import drugs produced elsewhere under compulsory licence. With one third of the world's population is still denied access to essential medicines - a figure which rises to over 50 per cent in Asia and Africa - the problems facing the public health community are two-fold. The first is the capacity of developing countries (‘DCs’) actually to use the flexibilities afforded under the TRIPS Agreement, the Doha Declaration, and the Paragraph- 6 Decision amid stark inequalities in health resources and the world trading system as a whole. These include provisions for compulsory licensing, parallel importation, and addressing imbalances in research and development (‘R&D’). The pending ratification of the Paragraph-6 Decision, from an interim solution to a permanent amendment, is accompanied by considerable uncertainty: will the protections be accessible under the system currently proposed? The second problem concerns the undermining of the above hard-won flexibilities by provisions adopted under various bilateral and regional trade agreements. Known as ‘TRIPS-plus’- or ‘WTO-plus’- measures, the level of intellectual property rights (‘IPRs’) rights protection being negotiated and even adopted under other trade agreements are more restrictive as regards public health protection. These two sources of concern have led to an increase in rather than a lessening of tensions between the public health and trade policy communities. The thesis opens with a brief analysis of the interplay between patents and medicines. This includes an overview of the human rights framework and the right of access to medicines as a manifestation of human rights. The historical development of the TRIPS Agreement, its legitimacy, and the effect of the introduction of patents for pharmaceuticals are critically analysed. The terms of the Doha Declaration as it relates to public health, the Paragraph-6 Decision and its system, the December 2005 Amendment, and the progress made to date on the public health protections available under the TRIPS Agreement are reviewed and discussed in detail. The thesis describes how, despite these important clarifications, concerns as to the capacity of DCs to implement specific measures persist. This thesis further addresses the development of compulsory licensing in India and South Africa, and the legal framework for compulsory licensing in these countries. The role of competition law and constraints faced by DCs in implementing the flexibilities offered by the TRIPS Agreement and Doha Declaration are considered before turning to the threat posed by TRIPS-plus measures and calls for their critical reassessment. The thesis considers the role of the Intergovernmental Working Group on Public Health, Innovation and Intellectual Property (IGWG), the WHO Commission on IPRs, Innovation and Public Health (CIPIH), Patent Pools, and international and multilateral donors in access to medicines. The thesis concludes by reviewing potential ways forward to ensure that access to medicines by the poor living in DCs is secured in all trade agreements. / Mercantile Law / LL.D. Access to medicines Bolar provisions Compulsory Licensing Developing Countries Essential medicines Evergreening Intellectual Property Least Developed Countries Low and Middle Income Countries Pharmaceutical Products Sub-Saharan Africa TRIPS-plus measures TRIPS flexibilities 346.48601724 Drugs -- Developing countries -- Patents Public health laws, International Public health -- Developing countries
1483	Geometric approach to multi-scale 3D gesture comparison Ochoa Mayorga, Victor Manuel 11 1900 (has links) The present dissertation develops an invariant framework for 3D gesture comparison studies. 3D gesture comparison without Lagrangian models is challenging not only because of the lack of prediction provided by physics, but also because of a dual geometry representation, spatial dimensionality and non-linearity associated to 3D-kinematics. In 3D spaces, it is difficult to compare curves without an alignment operator since it is likely that discrete curves are not synchronized and do not share a common point in space. One has to assume that each and every single trajectory in the space is unique. The common answer is to assert the similitude between two or more trajectories as estimating an average distance error from the aligned curves, provided that the alignment operator is found. In order to avoid the alignment problem, the method uses differential geometry for position and orientation curves. Differential geometry not only reduces the spatial dimensionality but also achieves view invariance. However, the nonlinear signatures may be unbounded or singular. Yet, it is shown that pattern recognition between intrinsic signatures using correlations is robust for position and orientation alike. A new mapping for orientation sequences is introduced in order to treat quaternion and Euclidean intrinsic signatures alike. The new mapping projects a 4D-hyper-sphere for orientations onto a 3D-Euclidean volume. The projection uses the quaternion invariant distance to map rotation sequences into 3D-Euclidean curves. However, quaternion spaces are sectional discrete spaces. The significance is that continuous rotation functions can be only approximated for small angles. Rotation sequences with large angle variations can only be interpolated in discrete sections. The current dissertation introduces two multi-scale approaches that improve numerical stability and bound the signal energy content of the intrinsic signatures. The first is a multilevel least squares curve fitting method similar to Haar wavelet. The second is a geodesic distance anisotropic kernel filter. The methodology testing is carried out on 3D-gestures for obstetrics training. The study quantitatively assess the process of skill acquisition and transfer of manipulating obstetric forceps gestures. The results show that the multi-scale correlations with intrinsic signatures track and evaluate gesture differences between experts and trainees. 3D gesture comparison Multiscale curvature Curvature-torsion differential geometry complex trajectories quaternion trajectories quaternion projections quaternion metrics 3D trajectory smoothing curvature signature correlations qualitative skill transfer measure medical manipulative gestures nonlinear signatures anisotropic kernel filter curvature numerical stability quaternion smoothing kinematics motor skill transfer curvature signature torsion signature arc-length parameterization tensors Frenet-Serret quaternion framework nonlinear kernel filter geodesic distance finite difference methods differential convolution filter Savitzky-Golay filter least squares curve fitting curvature neighborhood multilevel curvature analysis medical training child bearing simulator robotic simulator motion tracking 3D electromagnetic trackers sequence comparison medical training
1484	Development of High-order CENO Finite-volume Schemes with Block-based Adaptive Mesh Refinement (AMR) Ivan, Lucian 31 August 2011 (has links) A high-order central essentially non-oscillatory (CENO) finite-volume scheme in combination with a block-based adaptive mesh refinement (AMR) algorithm is proposed for solution of hyperbolic and elliptic systems of conservation laws on body- fitted multi-block mesh. The spatial discretization of the hyperbolic (inviscid) terms is based on a hybrid solution reconstruction procedure that combines an unlimited high-order k-exact least-squares reconstruction technique following from a fixed central stencil with a monotonicity preserving limited piecewise linear reconstruction algorithm. The limited reconstruction is applied to computational cells with under-resolved solution content and the unlimited k-exact reconstruction procedure is used for cells in which the solution is fully resolved. Switching in the hybrid procedure is determined by a solution smoothness indicator. The hybrid approach avoids the complexity associated with other ENO schemes that require reconstruction on multiple stencils and therefore, would seem very well suited for extension to unstructured meshes. The high-order elliptic (viscous) fluxes are computed based on a k-order accurate average gradient derived from a (k+1)-order accurate reconstruction. A novel h-refinement criterion based on the solution smoothness indicator is used to direct the steady and unsteady refinement of the AMR mesh. The predictive capabilities of the proposed high-order AMR scheme are demonstrated for the Euler and Navier-Stokes equations governing two-dimensional compressible gaseous flows as well as for advection-diffusion problems characterized by the full range of Peclet numbers, Pe. The ability of the scheme to accurately represent solutions with smooth extrema and yet robustly handle under-resolved and/or non-smooth solution content (i.e., shocks and other discontinuities) is shown for a range of problems. Moreover, the ability to perform mesh refinement in regions of smooth but under-resolved and/or non-smooth solution content to achieve the desired resolution is also demonstrated. computational fluid dynamics finite-volume method high-order scheme adaptive mesh refinement (AMR) ENO scheme essentially non-oscillatory CENO body-fitted multi-block mesh high-order spatial discretization numerical method hyperbolic and elliptic PDE fixed stencil reconstruction piecewise linear reconstruction smoothness indicator Euler and Navier-Stokes equations advection-diffusion equation smooth and non-smooth solution content k-exact least-squares reconstruction hybrid numerical scheme compressible gaseous flows refinement criteria high-performance parallel computing solution monotonicity enforcement large-eddy simulation (LES) interpolation technique structured grid inviscid and viscous flow TVD scheme h-p-adaptation high-order boundary conditions complex curved geometries 0538
1485	Development of High-order CENO Finite-volume Schemes with Block-based Adaptive Mesh Refinement (AMR) Ivan, Lucian 31 August 2011 (has links) A high-order central essentially non-oscillatory (CENO) finite-volume scheme in combination with a block-based adaptive mesh refinement (AMR) algorithm is proposed for solution of hyperbolic and elliptic systems of conservation laws on body- fitted multi-block mesh. The spatial discretization of the hyperbolic (inviscid) terms is based on a hybrid solution reconstruction procedure that combines an unlimited high-order k-exact least-squares reconstruction technique following from a fixed central stencil with a monotonicity preserving limited piecewise linear reconstruction algorithm. The limited reconstruction is applied to computational cells with under-resolved solution content and the unlimited k-exact reconstruction procedure is used for cells in which the solution is fully resolved. Switching in the hybrid procedure is determined by a solution smoothness indicator. The hybrid approach avoids the complexity associated with other ENO schemes that require reconstruction on multiple stencils and therefore, would seem very well suited for extension to unstructured meshes. The high-order elliptic (viscous) fluxes are computed based on a k-order accurate average gradient derived from a (k+1)-order accurate reconstruction. A novel h-refinement criterion based on the solution smoothness indicator is used to direct the steady and unsteady refinement of the AMR mesh. The predictive capabilities of the proposed high-order AMR scheme are demonstrated for the Euler and Navier-Stokes equations governing two-dimensional compressible gaseous flows as well as for advection-diffusion problems characterized by the full range of Peclet numbers, Pe. The ability of the scheme to accurately represent solutions with smooth extrema and yet robustly handle under-resolved and/or non-smooth solution content (i.e., shocks and other discontinuities) is shown for a range of problems. Moreover, the ability to perform mesh refinement in regions of smooth but under-resolved and/or non-smooth solution content to achieve the desired resolution is also demonstrated. computational fluid dynamics finite-volume method high-order scheme adaptive mesh refinement (AMR) ENO scheme essentially non-oscillatory CENO body-fitted multi-block mesh high-order spatial discretization numerical method hyperbolic and elliptic PDE fixed stencil reconstruction piecewise linear reconstruction smoothness indicator Euler and Navier-Stokes equations advection-diffusion equation smooth and non-smooth solution content k-exact least-squares reconstruction hybrid numerical scheme compressible gaseous flows refinement criteria high-performance parallel computing solution monotonicity enforcement large-eddy simulation (LES) interpolation technique structured grid inviscid and viscous flow TVD scheme h-p-adaptation high-order boundary conditions complex curved geometries 0538
1486	Grundlagen der Elasto-Plastizität in Creo Simulate - Theorie und Anwendung / Basics of Elasto-Plasticity in Creo Simulate - Theory and Application Jakel, Roland 10 May 2012 (has links) (PDF) Der Vortrag beschreibt die Grundlagen der Elasto-Plastizität sowie die softwaretechnische Anwendung mit dem FEM-Programm Creo Simulate bzw. Pro/MECHANICA von PTC. Der erste Teil des Vortrages beschreibt die Charakteristika plastischen Verhaltens, unterschiedliche plastische Materialgesetze, Fließkriterien bei mehrachsiger Beanspruchung und unterschiedliche Verfestigungsmodelle. Im zweiten Vortragsteil werden Möglichkeiten und Grenzen der Berechnung elasto-plastischer Probleme mit der Software dargestellt sowie Anwendungstipps gegeben. Im dritten Vortragsteil schließlich werden verschiedene Beispiele vorgestellt, davon besonders ausführlich das Verhalten einer einachsigen elasto-plastischen Zugprobe vor und nach dem Eintreten der Einschnürdehnung. / This presentation describes the basics of elasto-plasticity and its application with the finite element software Creo Simulate (formerly Pro/MECHANICA) from PTC. The first part describes the characteristics of plastic behavior, different plastic material laws, yield criteria for multiaxial stress states and different hardening models. In the second part, the opportunities and limitations of analyzing elasto-plastic problems with the FEM-code are described and user information is provided. The last part finally presents different examples. Deeply treated is the behavior of a uniaxial tensile test specimen before and after elongation with necking appears. Elasto-Plastizität Creo Simulate Mechanica FEM Plastitzität kleiner Dehnungen Plastitzität großer Dehnungen technische Spannung wahre Spannung technische Dehnung logarithmische Dehnung kinematische und isotrope Verfestigung plastische Materialgesetze sprödes und duktiles Verhalten Mehrachsigkeit Lastschritte Entlasten Elasto-plasticity Creo Simulate Mechanica FEM small strain plasticity finite strain plasticity engineering stress true stress engineering strain logarithmic strain yield criteria kinematic and isotropic hardening elasto-plastic material laws brittle and ductile behavior multi-axial plasticity characteristic measures for plasticity load steps unloading meshing uniaxial tensile test with necking ddc:629 Fließbedingung Plastizität Dehnung Mehrachsigkeit Vernetzung
1487	Geometric approach to multi-scale 3D gesture comparison Ochoa Mayorga, Victor Manuel Unknown Date No description available. 3D gesture comparison Multiscale curvature Curvature-torsion differential geometry complex trajectories quaternion trajectories quaternion projections quaternion metrics 3D trajectory smoothing curvature signature correlations qualitative skill transfer measure medical manipulative gestures nonlinear signatures anisotropic kernel filter curvature numerical stability quaternion smoothing kinematics motor skill transfer curvature signature torsion signature arc-length parameterization tensors Frenet-Serret quaternion framework nonlinear kernel filter geodesic distance finite difference methods differential convolution filter Savitzky-Golay filter least squares curve fitting curvature neighborhood multilevel curvature analysis medical training child bearing simulator robotic simulator motion tracking 3D electromagnetic trackers sequence comparison medical training
1488	Compulsory patent licensing and access to essential medicines in developing countries after the Doha Declaration Adesola, Eniola Olufemi 09 July 2015 (has links) In 2001 the Declaration on the TRIPS Agreement and Public Health (‘Doha Declaration’), affirmed the right of member states of the World Trade Organisation (‘WTO’) to interpret and implement the TRIPS Agreement as supportive of the protection of public health and, in particular, access to medicines. While initially well-received, consternation soon arose over the interpretation of a specific paragraph in the Doha Declaration dealing with compulsory licensing. After a further two years of deliberation, the WTO Decision on the Interpretation of Paragraph 6 (‘Paragraph-6 Decision’) was announced in August 2003 specifying when countries can import drugs produced elsewhere under compulsory licence. With one third of the world's population is still denied access to essential medicines - a figure which rises to over 50 per cent in Asia and Africa - the problems facing the public health community are two-fold. The first is the capacity of developing countries (‘DCs’) actually to use the flexibilities afforded under the TRIPS Agreement, the Doha Declaration, and the Paragraph- 6 Decision amid stark inequalities in health resources and the world trading system as a whole. These include provisions for compulsory licensing, parallel importation, and addressing imbalances in research and development (‘R&D’). The pending ratification of the Paragraph-6 Decision, from an interim solution to a permanent amendment, is accompanied by considerable uncertainty: will the protections be accessible under the system currently proposed? The second problem concerns the undermining of the above hard-won flexibilities by provisions adopted under various bilateral and regional trade agreements. Known as ‘TRIPS-plus’- or ‘WTO-plus’- measures, the level of intellectual property rights (‘IPRs’) rights protection being negotiated and even adopted under other trade agreements are more restrictive as regards public health protection. These two sources of concern have led to an increase in rather than a lessening of tensions between the public health and trade policy communities. The thesis opens with a brief analysis of the interplay between patents and medicines. This includes an overview of the human rights framework and the right of access to medicines as a manifestation of human rights. The historical development of the TRIPS Agreement, its legitimacy, and the effect of the introduction of patents for pharmaceuticals are critically analysed. The terms of the Doha Declaration as it relates to public health, the Paragraph-6 Decision and its system, the December 2005 Amendment, and the progress made to date on the public health protections available under the TRIPS Agreement are reviewed and discussed in detail. The thesis describes how, despite these important clarifications, concerns as to the capacity of DCs to implement specific measures persist. This thesis further addresses the development of compulsory licensing in India and South Africa, and the legal framework for compulsory licensing in these countries. The role of competition law and constraints faced by DCs in implementing the flexibilities offered by the TRIPS Agreement and Doha Declaration are considered before turning to the threat posed by TRIPS-plus measures and calls for their critical reassessment. The thesis considers the role of the Intergovernmental Working Group on Public Health, Innovation and Intellectual Property (IGWG), the WHO Commission on IPRs, Innovation and Public Health (CIPIH), Patent Pools, and international and multilateral donors in access to medicines. The thesis concludes by reviewing potential ways forward to ensure that access to medicines by the poor living in DCs is secured in all trade agreements. / Mercantile Law / LL.D. Access to medicines Bolar provisions Compulsory Licensing Developing Countries Essential medicines Evergreening Intellectual Property Least Developed Countries Low and Middle Income Countries Pharmaceutical Products Sub-Saharan Africa TRIPS-plus measures TRIPS flexibilities 346.48601724 Drugs -- Developing countries -- Patents Public health laws, International Public health -- Developing countries
1489	Development aid - a perspective on the World Bank performance: Calculating the social return on investment for the least developed countries Schäfer, Dominik 02 March 2016 (has links) This doctoral thesis focuses on the evaluation of the World Bank (WB) performance in delivering development aid to the Least Developed Countries (LDCs). For this purpose, an extensive research was performed to analyze a set of 790 Implementation Completion and Results reports for key economic and financial indicators. Results of this research provide various insights for the appraisal and the results stage of project delivery of the LDCs in different continents. In the final part of the economic and financial analysis the minimum Social Return on Investment (SROI) of the LDCs including all project costs was calculated. This SROI ratio outcome of 1 and 1.06 in the weighted and 1.3 and 1.72 in the unweighted case indicate that projects delivered by the WB have a positive effect on the poor countries. In the second part of this research project the data set of the ICR reports was qualitatively researched for negative ratings according to 3 core assessment categories for the overall project performance: Sustainability, bank performance and borrower performance. As a result the most critical categories respectively risks were outlined. In conclusion, the research analyses and findings support the general demand to provide even more development assistance to poor countries.:Table of Tables and Figures List of Equations List of Abbreviations 1 Introduction 1.1 Introduction to the Topic 1.2 Assessing Poverty Problems and Achieving Economic Growth 1.3 Millennium Development Goals 1.4 Development Aid 2 Research Approach 2.1 Objective 2.2 Structure 2.3 Least Developed Countries 2.4 World Bank 2.5 Data Access and Relevance 2.5.1 Data Basis 2.5.2 Implementation Completion and Results Reports 2.5.3 Project Types 2.6 Term “Performance” 2.7 Study and Research Questions 2.8 Challenges of this Doctoral Thesis 2.9 Contribution of this Thesis 3 Economic and Financial Analysis 3.1 SROI Concept 3.1.1 SROI Definition 3.1.2 SROI Process and Impact Map 3.1.3 Cost-Benefit-Analysis 3.1.4 SROI Calculation 3.2 SROI of World Bank Projects 3.2.1 Purpose of the Cost-Benefit-Analysis 3.2.2 Indicators of the SROI Calculation 3.2.2.1 Net Present Value 3.2.2.2 Capital and Recurring Costs 3.2.2.3 Project Dates and Duration 3.2.2.4 NPV-horizon 3.2.2.5 Discount Rate 3.2.3 Types of NPV-Cost-Ratios 3.2.3.1 Pro-Rata-Capital-Costs Ratio 3.2.3.2 Total-Capital-Costs Ratio 3.2.3.3 Pro-Rata-Capital plus Recurring-Costs Ratio 3.2.3.4 Total-Capital plus Recurring-Costs Ratio 3.2.4 Calculation of the proper SROI Ratio 3.2.5 Portfolio Analysis 3.2.6 Sensitivity Analysis 3.3 Additional Economic and Financial Indicators 3.3.1 Economic Rate of Return 3.3.2 Benefit-Cost-Ratio 3.3.3 Net Benefit 3.3.4 Financial Net Present Value 3.3.5 Financial Rate of Return 4 Results of the Economic and Financial Analysis 4.1 Analysis Approach and Setup 4.2 NPV Outcomes at the Appraisal Stage 4.2.1 Appraisal NPVs of the LDCs 4.2.2 Appraisal NPV Continent Comparison 4.3 NPV Outcomes of the Result Stage 4.3.1 Result NPVs of the LDCs 4.3.2 Result NPV Continent Comparison 4.4 Appraisal vs. Result NPVs 4.4.1 Results of the LDCs 4.4.2 Continent Comparison 4.5 Economic Rate of Return Result Values 4.5.1 Results of the LDCs 4.5.2 Continent Comparison 4.6 Additional Economic and Financial Indicator Result Values 4.6.1 Benefit-Cost-Ratio and Net Benefit 4.6.2 Financial Net Present Value and Financial Rate of Return 4.7 Overall Project Performance 4.7.1 Definition 4.7.2 Overall Project Performance Ratings 4.7.3 Outcome Calculation for Non-Financial Indicator Projects 4.7.4 Verification of Outcomes and Conclusion 4.8 NPV-Cost-Ratios and SROI Calculation 4.8.1 NPV-Cost-Ratios of the ICR Reports 4.8.1.1 Overall Results 4.8.1.2 Continent Comparison 4.8.2 Standardized NPV-Cost-Ratios 4.8.2.1 Overall Results 4.8.2.2 Continent Comparison 4.8.3 Calculating the Minimum SROI Ratio 4.8.3.1 Overall Results of the Capital SROI Ratio 4.8.3.2 Continental Comparison of the Capital SROI Ratio 4.8.3.3 Overall Results of the Minimum SROI Ratio 4.8.3.4 Continental Comparison of the Minimum SROI Ratio 4.8.4 Making Meaning of the Results 4.9 Summary and Conclusion 5 Qualitative Data Analysis 5.1 Content Analysis 5.2 Sustainability 5.2.1 Sustainability Rating Definition 5.2.2 Sustainability Rating Categories 5.3 Bank Performance 5.3.1 Bank Performance Definition 5.3.2 Bank Performance Categories 5.4 Borrower Performance 5.4.1 Borrower Performance Definition 5.4.2 Borrower Performance Categories 6 Results of the Qualitative Data Analysis 6.1 Sustainability 6.1.1 Quantitative Assessment of Sustainability Ratings 6.1.2 Outcome of the Content Analysis 6.1.2.1 Types of Reasons 6.1.2.2 Overall Results 6.1.2.3 Results in Haiti 6.1.2.4 Continent Comparison 6.1.3 Excursus: Positive NPV Projects 6.1.4 Summary and Conclusion 6.2 Bank Performance 6.2.1 Quantitative Assessment of Bank Performance Ratings 6.2.2 Outcome of the Content Analysis 6.2.2.1 Types of Reasons 6.2.2.2 Overall Results 6.2.2.3 Results in Haiti 6.2.2.4 Continent Comparison 6.2.3 Summary and Conclusion 6.3 Borrower Performance 6.3.1 Quantitative Assessment of Borrower Performance Ratings 6.3.2 Outcome of the Content Analysis 6.3.2.1 Types of Reasons 6.3.2.2 Overall Results 6.3.2.3 Results in Haiti 6.3.2.4 Continent Comparison 6.3.3 Summary and Conclusion 7 Overall Summary and Conclusion 8 Critical Acclaim and Recommendations 9 Outlook and Future Research List of Appendices Appendix References info:eu-repo/classification/ddc/330 ddc:330 info:eu-repo/classification/ddc/320 ddc:320
1490	Development of high-performance algorithms for a new generation of versatile molecular descriptors. The Pentacle software Durán Alcaide, Ángel 04 March 2010 (has links) The work of this thesis was focused on the development of high-performance algorithms for a new generation of molecular descriptors, with many advantages with respect to its predecessors, suitable for diverse applications in the field of drug design, as well as its implementation in commercial grade scientific software (Pentacle). As a first step, we developed a new algorithm (AMANDA) for discretizing molecular interaction fields which allows extracting from them the most interesting regions in an efficient way. This algorithm was incorporated into a new generation of alignmentindependent molecular descriptors, named GRIND-2. The computing speed and efficiency of the new algorithm allow the application of these descriptors in virtual screening. In addition, we developed a new alignment-independent encoding algorithm (CLACC) producing quantitative structure-activity relationship models which have better predictive ability and are easier to interpret than those obtained with other methods. / El trabajo que se presenta en esta tesis se ha centrado en el desarrollo de algoritmos de altas prestaciones para la obtención de una nueva generación de descriptores moleculares, con numerosas ventajas con respecto a sus predecesores, adecuados para diversas aplicaciones en el área del diseño de fármacos, y en su implementación en un programa científico de calidad comercial (Pentacle). Inicialmente se desarrolló un nuevo algoritmo de discretización de campos de interacción molecular (AMANDA) que permite extraer eficientemente las regiones de máximo interés. Este algoritmo fue incorporado en una nueva generación de descriptores moleculares independientes del alineamiento, denominados GRIND-2. La rapidez y eficiencia del nuevo algoritmo permitieron aplicar estos descriptores en cribados virtuales. Por último, se puso a punto un nuevo algoritmo de codificación independiente de alineamiento (CLACC) que permite obtener modelos cuantitativos de relación estructura-actividad con mejor capacidad predictiva y mucho más fáciles de interpretar que los obtenidos con otros métodos. Diseño Factorial Fraccionado (FFD) Partial Least Squares (PLS) (PCA) Análisis de componentes principales Sonda Consistente Interacciones relevantes Velocidad Interpretación AMANDA Correlation (CLACC) Relación estructura actividad GRIND-2 (GRIND) GRID Independent Descritpors Campos de interacción molecular (MIF) Pentacle Métodos computacionales Qt Lenguajes de programación Interfaz de usuario Software Modelos software Modelo espiral Eficiencia Altas prestaciones Codificación Discretización Algoritmo Based Virtual Screening (LBVS) Ligand Drug Discovery (CADD) Computer Assisted Drug Design Prediction (SDEP) Standard Deviation of Error (FFD) Partial Least Squares (PLS) Analysis (PCA) Principal Component Probe Consistent Relevant Interactions Speed Interpretation AMANDA Correlation (CLACC) Screening (VS) Consistently Large Auto and Cross Virtual Relationship (QSAR) Quantitative Structure-Activity GRID INdependent Descriptors (GRIND) GRIND-2 GRID Alignment independent Molecular descriptors (MD) Pentacle Molecular Interaction Fields (MIF) Computational Methods Qt Programming Languages User Interface (UI) User-friendly Software Software models Spiral model Efficiency High-performance Encoding Discretizing Algorithm Descubrimiento de fármacos Cribado virtual basado en ligando (LBVS) 51 61

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