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Bayesian Adaptive Sampling for Discrete Design Alternatives in Conceptual Design

Bayesian Adaptive Sampling for Discrete Design Alternatives in Conceptual Design
Author: Jose Eugenio Valenzuela-Del Rio
Publisher:
Total Pages:
Release: 2013
Genre: Adaptive sampling (Statistics)
ISBN:

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The number of technology alternatives has lately grown to satisfy the increasingly demanding goals in modern engineering. These technology alternatives are handled in the design process as either concepts or categorical design inputs. Additionally, designers desire to bring into early design more and more accurate, but also computationally burdensome, simulation tools to obtain better performing initial designs that are more valuable in subsequent design stages. It constrains the computational budget to optimize the design space. These two factors unveil the need of a conceptual design methodology to use more efficiently sophisticated tools for engineering problems with several concept solutions and categorical design choices. Enhanced initial designs and discrete alternative selection are pursued. Advances in computational speed and the development of Bayesian adaptive sampling techniques have enabled the industry to move from the use of look-up tables and simplified models to complex physics-based tools in conceptual design. These techniques focus computational resources on promising design areas. Nevertheless, the vast majority of the work has been done on problems with continuous spaces, whereas concepts and categories are treated independently. However, observations show that engineering objectives experience similar topographical trends across many engineering alternatives. In order to address these challenges, two meta-models are developed. The first one borrows the Hamming distance and function space norms from machine learning and functional analysis, respectively. These distances allow defining categorical metrics that are used to build an unique probabilistic surrogate whose domain includes, not only continuous and integer variables, but also categorical ones. The second meta-model is based on a multi-fidelity approach that enhances a concept prediction with previous concept observations. These methodologies leverage similar trends seen from observations and make a better use of sample points increasing the quality of the output in the discrete alternative selection and initial designs for a given analysis budget. An extension of stochastic mixed-integer optimization techniques to include the categorical dimension is developed by adding appropriate generation, mutation, and crossover operators. The resulted stochastic algorithm is employed to adaptively sample mixed-integer-categorical design spaces. The proposed surrogates are compared against traditional independent methods for a set of canonical problems and a physics-based rotor-craft model on a screened design space. Next, adaptive sampling algorithms on the developed surrogates are applied to the same problems. These tests provide evidence of the merit of the proposed methodologies. Finally, a multi-objective rotor-craft design application is performed in a large domain space. This thesis provides several novel academic contributions. The first contribution is the development of new efficient surrogates for systems with categorical design choices. Secondly, an adaptive sampling algorithm is proposed for systems with mixed-integer-categorical design spaces. Finally, previously sampled concepts can be brought to construct efficient surrogates of novel concepts. With engineering judgment, design community could apply these contributions to discrete alternative selection and initial design assessment when similar topographical trends are observed across different categories and/or concepts. Also, it could be crucial to overcome the current cost of carrying a set of concepts and wider design spaces in the categorical dimension forward into preliminary design.


Adaptive Sampling Designs

Adaptive Sampling Designs
Author: George A.F. Seber
Publisher: Springer Science & Business Media
Total Pages: 78
Release: 2012-10-23
Genre: Mathematics
ISBN: 3642336566

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This book aims to provide an overview of some adaptive techniques used in estimating parameters for finite populations where the sampling at any stage depends on the sampling information obtained to date. The sample adapts to new information as it comes in. These methods are especially used for sparse and clustered populations. Written by two acknowledged experts in the field of adaptive sampling.


A Bayesian/Geostatistical Approach to the Design of Adaptive Sampling Programs

A Bayesian/Geostatistical Approach to the Design of Adaptive Sampling Programs
Author: RL. Johnson
Publisher:
Total Pages: 15
Release: 1996
Genre: Adaptive sampling program
ISBN:

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Traditional approaches to the delineation of subsurface contamination extent are costly and time consuming. Recent advances in field screening technologies present the possibility for adaptive sampling programs--programs that adapt or change to reflect sample results generated in the field. A coupled Bayesian/geostatistical methodology can be used to guide adaptive sampling programs. A Bayesian approach quantitatively combines "soft" information regarding contaminant location with "hard" sampling results. Soft information can include historical information, non-intrusive geophysical survey data, preliminary transport modeling results, past experience with similar sites, etc. Soft information is used to build an initial conceptual image of where contamination is likely to be. As samples are collected and analyzed, indicator kriging is used to update the initial conceptual image. New sampling locations are selected to minimize the uncertainty associated with contaminant extent. An example is provided that illustrates the methodology.


Bayesian Methods in Pharmaceutical Research

Bayesian Methods in Pharmaceutical Research
Author: Emmanuel Lesaffre
Publisher: CRC Press
Total Pages: 547
Release: 2020-04-15
Genre: Medical
ISBN: 1351718673

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Since the early 2000s, there has been increasing interest within the pharmaceutical industry in the application of Bayesian methods at various stages of the research, development, manufacturing, and health economic evaluation of new health care interventions. In 2010, the first Applied Bayesian Biostatistics conference was held, with the primary objective to stimulate the practical implementation of Bayesian statistics, and to promote the added-value for accelerating the discovery and the delivery of new cures to patients. This book is a synthesis of the conferences and debates, providing an overview of Bayesian methods applied to nearly all stages of research and development, from early discovery to portfolio management. It highlights the value associated with sharing a vision with the regulatory authorities, academia, and pharmaceutical industry, with a view to setting up a common strategy for the appropriate use of Bayesian statistics for the benefit of patients. The book covers: Theory, methods, applications, and computing Bayesian biostatistics for clinical innovative designs Adding value with Real World Evidence Opportunities for rare, orphan diseases, and pediatric development Applied Bayesian biostatistics in manufacturing Decision making and Portfolio management Regulatory perspective and public health policies Statisticians and data scientists involved in the research, development, and approval of new cures will be inspired by the possible applications of Bayesian methods covered in the book. The methods, applications, and computational guidance will enable the reader to apply Bayesian methods in their own pharmaceutical research.


Innovative Strategies, Statistical Solutions and Simulations for Modern Clinical Trials

Innovative Strategies, Statistical Solutions and Simulations for Modern Clinical Trials
Author: Mark Chang
Publisher: CRC Press
Total Pages: 218
Release: 2019-03-20
Genre: Mathematics
ISBN: 1351214527

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"This is truly an outstanding book. [It] brings together all of the latest research in clinical trials methodology and how it can be applied to drug development.... Chang et al provide applications to industry-supported trials. This will allow statisticians in the industry community to take these methods seriously." Jay Herson, Johns Hopkins University The pharmaceutical industry's approach to drug discovery and development has rapidly transformed in the last decade from the more traditional Research and Development (R & D) approach to a more innovative approach in which strategies are employed to compress and optimize the clinical development plan and associated timelines. However, these strategies are generally being considered on an individual trial basis and not as part of a fully integrated overall development program. Such optimization at the trial level is somewhat near-sighted and does not ensure cost, time, or development efficiency of the overall program. This book seeks to address this imbalance by establishing a statistical framework for overall/global clinical development optimization and providing tactics and techniques to support such optimization, including clinical trial simulations. Provides a statistical framework for achieve global optimization in each phase of the drug development process. Describes specific techniques to support optimization including adaptive designs, precision medicine, survival-endpoints, dose finding and multiple testing. Gives practical approaches to handling missing data in clinical trials using SAS. Looks at key controversial issues from both a clinical and statistical perspective. Presents a generous number of case studies from multiple therapeutic areas that help motivate and illustrate the statistical methods introduced in the book. Puts great emphasis on software implementation of the statistical methods with multiple examples of software code (both SAS and R). It is important for statisticians to possess a deep knowledge of the drug development process beyond statistical considerations. For these reasons, this book incorporates both statistical and "clinical/medical" perspectives.


Information Science for Materials Discovery and Design

Information Science for Materials Discovery and Design
Author: Turab Lookman
Publisher: Springer
Total Pages: 316
Release: 2015-12-12
Genre: Technology & Engineering
ISBN: 331923871X

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This book deals with an information-driven approach to plan materials discovery and design, iterative learning. The authors present contrasting but complementary approaches, such as those based on high throughput calculations, combinatorial experiments or data driven discovery, together with machine-learning methods. Similarly, statistical methods successfully applied in other fields, such as biosciences, are presented. The content spans from materials science to information science to reflect the cross-disciplinary nature of the field. A perspective is presented that offers a paradigm (codesign loop for materials design) to involve iteratively learning from experiments and calculations to develop materials with optimum properties. Such a loop requires the elements of incorporating domain materials knowledge, a database of descriptors (the genes), a surrogate or statistical model developed to predict a given property with uncertainties, performing adaptive experimental design to guide the next experiment or calculation and aspects of high throughput calculations as well as experiments. The book is about manufacturing with the aim to halving the time to discover and design new materials. Accelerating discovery relies on using large databases, computation, and mathematics in the material sciences in a manner similar to the way used to in the Human Genome Initiative. Novel approaches are therefore called to explore the enormous phase space presented by complex materials and processes. To achieve the desired performance gains, a predictive capability is needed to guide experiments and computations in the most fruitful directions by reducing not successful trials. Despite advances in computation and experimental techniques, generating vast arrays of data; without a clear way of linkage to models, the full value of data driven discovery cannot be realized. Hence, along with experimental, theoretical and computational materials science, we need to add a “fourth leg’’ to our toolkit to make the “Materials Genome'' a reality, the science of Materials Informatics.


Adaptive Design Theory and Implementation Using SAS and R

Adaptive Design Theory and Implementation Using SAS and R
Author: Mark Chang
Publisher: CRC Press
Total Pages: 689
Release: 2014-12-01
Genre: Mathematics
ISBN: 1482256606

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Get Up to Speed on Many Types of Adaptive DesignsSince the publication of the first edition, there have been remarkable advances in the methodology and application of adaptive trials. Incorporating many of these new developments, Adaptive Design Theory and Implementation Using SAS and R, Second Edition offers a detailed framework to understand the


Engineering Design via Surrogate Modelling

Engineering Design via Surrogate Modelling
Author: Alexander Forrester
Publisher: John Wiley & Sons
Total Pages: 228
Release: 2008-09-15
Genre: Technology & Engineering
ISBN: 0470770791

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Surrogate models expedite the search for promising designs by standing in for expensive design evaluations or simulations. They provide a global model of some metric of a design (such as weight, aerodynamic drag, cost, etc.), which can then be optimized efficiently. Engineering Design via Surrogate Modelling is a self-contained guide to surrogate models and their use in engineering design. The fundamentals of building, selecting, validating, searching and refining a surrogate are presented in a manner accessible to novices in the field. Figures are used liberally to explain the key concepts and clearly show the differences between the various techniques, as well as to emphasize the intuitive nature of the conceptual and mathematical reasoning behind them. More advanced and recent concepts are each presented in stand-alone chapters, allowing the reader to concentrate on material pertinent to their current design problem, and concepts are clearly demonstrated using simple design problems. This collection of advanced concepts (visualization, constraint handling, coping with noisy data, gradient-enhanced modelling, multi-fidelity analysis and multiple objectives) represents an invaluable reference manual for engineers and researchers active in the area. Engineering Design via Surrogate Modelling is complemented by a suite of Matlab codes, allowing the reader to apply all the techniques presented to their own design problems. By applying statistical modelling to engineering design, this book bridges the wide gap between the engineering and statistics communities. It will appeal to postgraduates and researchers across the academic engineering design community as well as practising design engineers. Provides an inclusive and practical guide to using surrogates in engineering design. Presents the fundamentals of building, selecting, validating, searching and refining a surrogate model. Guides the reader through the practical implementation of a surrogate-based design process using a set of case studies from real engineering design challenges. Accompanied by a companion website featuring Matlab software at http://www.wiley.com/go/forrester


Bayesian Optimization for Materials Science

Bayesian Optimization for Materials Science
Author: Daniel Packwood
Publisher: Springer
Total Pages: 51
Release: 2017-10-04
Genre: Technology & Engineering
ISBN: 9811067813

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This book provides a short and concise introduction to Bayesian optimization specifically for experimental and computational materials scientists. After explaining the basic idea behind Bayesian optimization and some applications to materials science in Chapter 1, the mathematical theory of Bayesian optimization is outlined in Chapter 2. Finally, Chapter 3 discusses an application of Bayesian optimization to a complicated structure optimization problem in computational surface science.Bayesian optimization is a promising global optimization technique that originates in the field of machine learning and is starting to gain attention in materials science. For the purpose of materials design, Bayesian optimization can be used to predict new materials with novel properties without extensive screening of candidate materials. For the purpose of computational materials science, Bayesian optimization can be incorporated into first-principles calculations to perform efficient, global structure optimizations. While research in these directions has been reported in high-profile journals, until now there has been no textbook aimed specifically at materials scientists who wish to incorporate Bayesian optimization into their own research. This book will be accessible to researchers and students in materials science who have a basic background in calculus and linear algebra.