Many scientific phenomena are now investigated by complex computer models or codes A computer experiment is a number of runs of the code with various inputs A feature of many computer experiments is that the output is deterministic--rerunning the code with the same inputs gives identical observations Often, the codes are computationally expensive to run, and a common objective of an experiment is to fit a cheaper predictor of the output to the data Our approach is to model the deterministic output as the realization of a stochastic process, thereby providing a statistical basis for designing experiments (choosing the inputs) for efficient prediction With this model, estimates of uncertainty of predictions are also available Recent work in this area is reviewed, a number of applications are discussed, and we demonstrate our methodology with an example

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The design and analysis of computer experiments

The design and analysis of computer experiments as a relatively young research field is not only of high importance for many industrial areas but also presents new challenges and open questions for statisticians. This editorial introduces a special issue devoted to the topic. The included papers present an interesting mixture of recent developments in the field as they cover fundamental research on the design of experiments, models and analysis methods as well as more applied research connected to real-life applications.

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Design and analysis of computer experiments

Preface. About the Authors. Foreword. Prologue. Part I: Fundamentals. 1. Sampling Plans. 1.1 The 'Curse of Dimensionality' and How to Avoid It. 1.2 Physical versus Computational Experiments. 1.3 Designing Preliminary Experiments (Screening). 1.3.1 Estimating the Distribution of Elementary Effects. 1.4 Designing a Sampling Plan. 1.4.1 Stratification. 1.4.2 Latin Squares and Random Latin Hypercubes. 1.4.3 Space-filling Latin Hypercubes. 1.4.4 Space-filling Subsets. 1.5 A Note on Harmonic Responses. 1.6 Some Pointers for Further Reading. References. 2. Constructing a Surrogate. 2.1 The Modelling Process. 2.1.1 Stage One: Preparing the Data and Choosing a Modelling Approach. 2.1.2 Stage Two: Parameter Estimation and Training. 2.1.3 Stage Three: Model Testing. 2.2 Polynomial Models. 2.2.1 Example One: Aerofoil Drag. 2.2.2 Example Two: a Multimodal Testcase. 2.2.3 What About the k -variable Case? 2.3 Radial Basis Function Models. 2.3.1 Fitting Noise-Free Data. 2.3.2 Radial Basis Function Models of Noisy Data. 2.4 Kriging. 2.4.1 Building the Kriging Model. 2.4.2 Kriging Prediction. 2.5 Support Vector Regression. 2.5.1 The Support Vector Predictor. 2.5.2 The Kernel Trick. 2.5.3 Finding the Support Vectors. 2.5.4 Finding . 2.5.5 Choosing C and epsilon. 2.5.6 Computing epsilon : v -SVR 71. 2.6 The Big(ger) Picture. References. 3. Exploring and Exploiting a Surrogate. 3.1 Searching the Surrogate. 3.2 Infill Criteria. 3.2.1 Prediction Based Exploitation. 3.2.2 Error Based Exploration. 3.2.3 Balanced Exploitation and Exploration. 3.2.4 Conditional Likelihood Approaches. 3.2.5 Other Methods. 3.3 Managing a Surrogate Based Optimization Process. 3.3.1 Which Surrogate for What Use? 3.3.2 How Many Sample Plan and Infill Points? 3.3.3 Convergence Criteria. 3.3.4 Search of the Vibration Isolator Geometry Feasibility Using Kriging Goal Seeking. References. Part II: Advanced Concepts. 4. Visualization. 4.1 Matrices of Contour Plots. 4.2 Nested Dimensions. Reference. 5. Constraints. 5.1 Satisfaction of Constraints by Construction. 5.2 Penalty Functions. 5.3 Example Constrained Problem. 5.3.1 Using a Kriging Model of the Constraint Function. 5.3.2 Using a Kriging Model of the Objective Function. 5.4 Expected Improvement Based Approaches. 5.4.1 Expected Improvement With Simple Penalty Function. 5.4.2 Constrained Expected Improvement. 5.5 Missing Data. 5.5.1 Imputing Data for Infeasible Designs. 5.6 Design of a Helical Compression Spring Using Constrained Expected Improvement. 5.7 Summary. References. 6. Infill Criteria With Noisy Data. 6.1 Regressing Kriging. 6.2 Searching the Regression Model. 6.2.1 Re-Interpolation. 6.2.2 Re-Interpolation With Conditional Likelihood Approaches. 6.3 A Note on Matrix Ill-Conditioning. 6.4 Summary. References. 7. Exploiting Gradient Information. 7.1 Obtaining Gradients. 7.1.1 Finite Differencing. 7.1.2 Complex Step Approximation. 7.1.3 Adjoint Methods and Algorithmic Differentiation. 7.2 Gradient-enhanced Modelling. 7.3 Hessian-enhanced Modelling. 7.4 Summary. References. 8. Multi-fidelity Analysis. 8.1 Co-Kriging. 8.2 One-variable Demonstration. 8.3 Choosing X c and X e . 8.4 Summary. References. 9. Multiple Design Objectives. 9.1 Pareto Optimization. 9.2 Multi-objective Expected Improvement. 9.3 Design of the Nowacki Cantilever Beam Using Multi-objective, Constrained Expected Improvement. 9.4 Design of a Helical Compression Spring Using Multi-objective, Constrained Expected Improvement. 9.5 Summary. References. Appendix: Example Problems. A.1 One-Variable Test Function. A.2 Branin Test Function. A.3 Aerofoil Design. A.4 The Nowacki Beam. A.5 Multi-objective, Constrained Optimal Design of a Helical Compression Spring. A.6 Novel Passive Vibration Isolator Feasibility. References. Index.

Engineering Design via Surrogate Modelling: A Practical Guide

Surrogate-based Analysis and Optimization

https://eprints.soton.ac.uk/65935/01/Forr_09.pdf

Recent advances in surrogate-based optimization

PART I AN OVERVIEW INTRODUCTION Experiments and Their Statistical Designs Some Concepts in Experimental Design Computer Experiments Examples of Computer Experiments Space-Filling Designs Modeling Techniques Sensitivity Analysis Strategies for Computer Experiments and An Illustration Case Study Remarks on Computer Experiments Guidance of Reading This Book PART II DESIGNS FOR COMPUTER EXPERIMENTS Latin Hypercube Sampling and its Modifications Uniform Experimental Design Optimization in Construction of Designs for Computer Experiments PART III MODELING FOR COMPUTER EXPERIMENTS METAMODELING Model Interpretation Functional Response APPENDIX Abbreviation References Index Author Index

Design and Modeling for Computer Experiments

An efficient algorithm for constructing optimal design of computer experiments

Algorithmic construction of optimal symmetric Latin hypercube designs

Approximation models (also known as metamodels) have been widely used in engineering design to facilitate analysis and optimization of complex systems that involve computationally expensive simulation programs. The accuracy of metamodels is directly related to the sampling strategies used. Our goal in this paper is to investigate the general applicability of sequential sampling for creating global metamodels. Various sequential sampling approaches are reviewed and new approaches are proposed. The performances of these approaches are investigated against that of the one-stage approach using a set of test problems with a variety of features. The potential usages of sequential sampling strategies are also discussed.Copyright © 2002 by ASME

On Sequential Sampling for Global Metamodeling in Engineering Design

Kriging is a useful method for developing metamodels for product design optimization. The most popular kriging method, known as ordinary kriging, uses a constant mean in the model. In this article, a modified kriging method is proposed, which has an unknown mean model. Therefore, it is called blind kriging. The unknown mean model is identified from experimental data using a Bayesian variable selection technique. Many examples are presented, which show remarkable improvement in prediction using blind kriging over ordinary kriging. Moreover, a blind kriging predictor is easier to interpret and seems to be more robust against mis-specification in the correlation parameters.

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Agus Sudjianto

Papers

Design and Modeling for Computer Experiments

An efficient algorithm for constructing optimal design of computer experiments

Algorithmic construction of optimal symmetric Latin hypercube designs

On Sequential Sampling for Global Metamodeling in Engineering Design

Blind Kriging: A New Method for Developing Metamodels