A multi-objective coordinate-exchange two-phase local search algorithm for multi-stratum experiments

A multi-stratum design is a useful tool for industrial experimentation, where factors that have levels which are harder to set than others, due to time or cost constraints, are frequently included. The number of different levels of hardness to set defines the number of strata that should be used. The simplest case is the split-plot design, which includes two strata and two sets of factors defined by their level of hardness-to-set. In this paper, we propose a novel computational algorithm which can be used to construct optimal multi-stratum designs for any number of strata and up to six optimality criteria simultaneously. Our algorithm allows the study of the entire Pareto front of the optimization problem and the selection of the designs representing the desired trade-off between the competing objectives. We apply our algorithm to several real case scenarios and we show that the efficiencies of the designs obtained present experimenters with several good options according to their objectives.     

A generalisation of T‐optimality for discriminating between competing models with an application to pharmacokinetic studies

The T‐optimality criterion is used in optimal design to derive designs for model selection. To set up the method, it is required that one of the models is considered to be true. We term this local T‐optimality. In this work, we propose a generalisation of T‐optimality (termed robust T‐optimality) that relaxes the requirement that one of the candidate models is set as true. We then show an application to a nonlinear mixed effects model with two candidate non‐nested models and combine robust T‐optimality with robust D‐optimality. Optimal design under local T‐optimality was found to provide adequate power when the a priori assumed true model was the true model but poor power if the a priori assumed true model was not the true model. The robust T‐optimality method provided adequate power irrespective of which model was true. The robust T‐optimality method appears to have useful properties for nonlinear models, where both the parameter values and model structure are required to be known a priori, and the most likely model that would be applied to any new experiment is not known with certainty. Copyright © 2012 John Wiley & Sons, Ltd.     

Selection and screening procedures to determine optimal product designs

To compare several promising product designs, manufacturers must measure their performance under multiple environmental conditions. In many applications, a product design is considered to be seriously flawed if its performance is poor for any level of the environmental factor. For example, if a particular automobile battery design does not function well under temperature extremes, then a manufacturer may not want to put this design into production. Thus, this paper considers the measure of a product's quality to be its worst performance over the levels of the environmental factor. We develop statistical procedures to identify (a near) optimal product design among a given set of product designs, i.e., the manufacturing design that maximizes the worst product performance over the levels of the environmental variable. We accomplish this by intuitive procedures based on the split-plot experimental design (and the randomized complete block design as a special case); split-plot designs have the essential structure of a product array and the practical convenience of local randomization. Two classes of statistical procedures are provided. In the first, the δ-best formulation of selection problems, we determine the number of replications of the basic split-plot design that are needed to guarantee, with a given confidence level, the selection of a product design whose minimum performance is within a specified amount, δ, of the performance of the optimal product design. In particular, if the difference between the quality of the best and second best manufacturing designs is δ or more, then the procedure guarantees that the best design will be selected with specified probability. For applications where a split-plot experiment that involves several product designs has been completed without the planning required of the δ-best formulation, we provide procedures to construct a ‘confidence subset’ of the manufacturing designs; the selected subset contains the optimal product design with a prespecified confidence level. The latter is called the subset selection formulation of selection problems. Examples are provided to illustrate the procedures.     

D-optimal minimax design criterion for two-level fractional factorial designs

A D-optimal minimax design criterion is proposed to construct two-level fractional factorial designs, which can be used to estimate a linear model with main effects and some specified interactions. D-optimal minimax designs are robust against model misspecification and have small biases if the linear model contains more interaction terms. When the D-optimal minimax criterion is compared with the D-optimal design criterion, we find that the D-optimal design criterion is quite robust against model misspecification. Lower and upper bounds derived for the loss functions of optimal designs can be used to estimate the efficiencies of any design and evaluate the effectiveness of a search algorithm. Four algorithms to search for optimal designs for any run size are discussed and compared through several examples. An annealing algorithm and a sequential algorithm are particularly effective to search for optimal designs.     

Algorithm for determining whether various two-level fractional factorial split-plot row–column designs are non-isomorphic

The confounding and aliasing scheme for fractional factorial split-plot designs with the units within each wholeplot arranged in rows and columns is described and illustrated. Isomorphism for this design type is described, together with a procedure which considers extensions of the concepts of wordlength patterns and letter patterns that can be used to test isomorphism between designs. Using in part this isomorphism testing procedure, a construction algorithm that may be used to obtain a complete set of such non-isomorphic two-level designs is described. Software based on this construction algorithm was used to obtain a complete set of non-isomorphic designs for up to five wholeplot factors, five subplot factors and up to 64 runs, which is presented as a table of designs. To aid the experimenter in distinguishing between competing designs, the estimation capacity sequence for each design is presented.     

The Construction of Efficient Two-replicate Row–Column Designs for Use in Field Trials

Two-replicate row–column designs are often used for field trials in multisite tree or plant breeding programmes. With only two replicates for each trial, it is important to use designs with optimal or near optimal efficiency factors. This paper presents an algorithm for generating such designs. The method extends the contraction approach of Bailey and Patterson to any set of parameters and uses the factorial design construction algorithm of Williams and John to generate designs. Our experience with the algorithm is that it produces designs that are at least as good as, and often much better and more quickly generated than, those obtained by other recent computer algorithms.     

Constructing optimal designs for fitting pharmacokinetic models

We consider some computational issues that arise when searching for optimal designs for pharmacokinetic (PK) studies. Special factors that distinguish these are (i) repeated observations are taken from each subject and the observations are usually described by a nonlinear mixed model (NLMM), (ii) design criteria depend on the model fitting procedure, (iii) in addition to providing efficient parameter estimates, the design must also permit model checking, (iv) in practice there are several design constraints, (v) the design criteria are computationally expensive to evaluate and often numerical integration is needed and finally (vi) local optimisation procedures may fail to converge or get trapped at local optima.We review current optimal design algorithms and explore the possibility of using global optimisation procedures. We use these latter procedures to find some optimal designs.For multi-purpose designs we suggest two surrogate design criteria for model checking and illustrate their use.     

Optimal parametric design with applications to pharmacokinetic and pharmacodynamic trials

This paper considers optimal parametric designs, i.e. designs represented by probability measures determined by a set of parameters, for nonlinear models and illustrates their use in designs for pharmacokinetic (PK) and pharmacokinetic/pharmacodynamic (PK/PD) trials. For some practical problems, such as designs for modelling PK/PD relationship, this is often the only feasible type of design, as the design points follow a PK model and cannot be directly controlled. Even for ordinary design problems the parametric designs have some advantages over the traditional designs, which often have too few design points for model checking and may not be robust to model and parameter misspecifications. We first describe methods and algorithms to construct the parametric design for ordinary nonlinear design problems and show that the parametric designs are robust to parameter misspecification and have good power for model discrimination. Then we extend this design method to construct optimal repeated measurement designs for nonlinear mixed models. We also use this parametric design for modelling a PK/PD relationship and propose a simulation based algorithm. The application of parametric designs is illustrated with a three-parameter open one-compartment PK model for the ordinary design and repeated measurement design, and an Emax model for the phamacokinetic/pharmacodynamic trial design.     

Optimal block designs comparing treatments with a control when the errors are correlated

The efficient design of experiments for comparing a control with v new treatments when the data are dependent is investigated. We concentrate on generalized least-squares estimation for a known covariance structure. We consider block sizes k equal to 3 or 4 and approximate designs. This method may lead to exact optimal designs for some v, b, k, but usually will only indicate the structure of an efficient design for any particular v, b, k, and yield an efficiency bound, usually unattainable. The bound and the structure can then be used to investigate efficient finite designs.     

An algorithmic approach to construct D-optimal saturated designs for logistic model

In this paper, locally D-optimal saturated designs for a logistic model with one and two continuous input variables have been constructed by modifying the famous Fedorov exchange algorithm. A saturated design not only ensures the minimum number of runs in the design but also simplifies the row exchange computation. The basic idea is to exchange a design point with a point from the design space. The algorithm performs the best row exchange between design points and points form a candidate set representing the design space. Naturally, the resultant designs depend on the candidate set. For gain in precision, intuitively a candidate set with a larger number of points and the low discrepancy is desirable, but it increases the computational cost. Apart from the modification in row exchange computation, we propose implementing the algorithm in two stages. Initially, construct a design with a candidate set of affordable size and then later generate a new candidate set around the points of design searched in the former stage. In order to validate the optimality of constructed designs, we have used the general equivalence theorem. Algorithms for the construction of optimal designs have been implemented by developing suitable codes in R.     

Designing fractional factorial split-plot experiments with few whole-plot factors

Summary.  When it is impractical to perform the experimental runs of a fractional factorial design in a completely random order, restrictions on the randomization can be imposed. The resulting design is said to have a split-plot, or nested, error structure. Similarly to fractional factorials, fractional factorial split-plot designs can be ranked by using the aberration criterion. Techniques that generate the required designs systematically presuppose unreplicated settings of the whole-plot factors. We use a cheese-making experiment to demonstrate the practical relevance of designs with replicated settings of these factors. We create such designs by splitting the whole plots according to one or more subplot effects. We develop a systematic method to generate the required designs and we use the method to create a table of designs that is likely to be useful in practice.     

Response surface design evaluation and comparison

Designing an experiment to fit a response surface model typically involves selecting among several candidate designs. There are often many competing criteria that could be considered in selecting the design, and practitioners are typically forced to make trade-offs between these objectives when choosing the final design. Traditional alphabetic optimality criteria are often used in evaluating and comparing competing designs. These optimality criteria are single-number summaries for quality properties of the design such as the precision with which the model parameters are estimated or the uncertainty associated with prediction. Other important considerations include the robustness of the design to model misspecification and potential problems arising from spurious or missing data. Several qualitative and quantitative properties of good response surface designs are discussed, and some of their important trade-offs are considered. Graphical methods for evaluating design performance for several important response surface problems are discussed and we show how these techniques can be used to compare competing designs. These graphical methods are generally superior to the simplistic summaries of alphabetic optimality criteria. Several special cases are considered, including robust parameter designs, split-plot designs, mixture experiment designs, and designs for generalized linear models.     

Split-plot designs for robust product experimentation

Genichi Taguchi has emphasized the use of designed experiments in several novel and important applications. In this paper we focus on the use of statistical experimental designs in designingproducts to be robust to environmental conditions. The engineering concept of robust product design is very important because it is frequently impossible or prohibitively expensive to control or eliminate variation resulting from environmental conditions. Robust product design enablesthe experimenter to discover how to modify the design of the product to minimize the effect dueto variation from environmental sources. In experiments of this kind, Taguchi's total experimental arrangement consists of a cross-product of two experimental designs:an inner array containing the design factors and an outer array containing the environmental factors. Except in situations where both these arrays are small, this arrangement may involve a prohibitively large amount of experimental work. One of the objectives of this paper is to show how this amount of work can be reduced. In this paper we investigate the applicability of split-plot designs for thisparticular experimental situation. Consideration of the efficiency of split-plot designs and anexamination of several variants of split-plot designs indicates that experiments conductedin a split-plot mode can be of tremendous value in robust product design since they not only enable the contrasts of interest to be estimated efficiently but also the experiments can be considerably easier to conduct than the designs proposed by Taguchi.     

Optimal Designs for the Carryover Model with Random Interactions Between Subjects and Treatments

The paper considers a model for crossover designs with carryover effects and a random interaction between treatments and subjects. Under this model, two observations of the same treatment on the same subject are positively correlated and therefore provide less information than two observations of the same treatment on different subjects. The introduction of the interaction makes the determination of optimal designs much harder than is the case for the traditional model. Generalising the results of Bludowsky's thesis, the present paper uses Kushner's method to determine optimal approximate designs. We restrict attention to the case where the number of periods is less than or equal to the number of treatments. We determine the optimal designs in the important special cases that the number of periods is 3, 4 or 5. It turns out that the optimal designs depend on the variance of the random interactions and in most cases are not binary. However, we can show that neighbour balanced binary designs are highly efficient, regardless of the number of periods and of the size of the variance of the interaction effects.     

A clustering-based coordinate exchange algorithm for generating G-optimal experimental designs

In the optimal experimental design literature, the G-optimality is defined as minimizing the maximum prediction variance over the entire experimental design space. Although the G-optimality is a highly desirable property in many applications, there are few computer algorithms developed for constructing G-optimal designs. Some existing methods employ an exhaustive search over all candidate designs, which is time-consuming and inefficient. In this paper, a new algorithm for constructing G-optimal experimental designs is developed for both linear and generalized linear models. The new algorithm is made based on the clustering of candidate or evaluation points over the design space and it is a combination of point exchange algorithm and coordinate exchange algorithm. In addition, a robust design algorithm is proposed for generalized linear models with modification of an existing method. The proposed algorithm are compared with the methods proposed by Rodriguez et al. [Generating and assessing exact G-optimal designs. J. Qual. Technol. 2010;42(1):3–20] and Borkowski [Using a genetic algorithm to generate small exact response surface designs. J. Prob. Stat. Sci. 2003;1(1):65–88] for linear models and with the simulated annealing method and the genetic algorithm for generalized linear models through several examples in terms of the G-efficiency and computation time. The result shows that the proposed algorithm can obtain a design with higher G-efficiency in a much shorter time. Moreover, the computation time of the proposed algorithm only increases polynomially when the size of model increases.     

Generalized minimum aberration two-level split-plot designs

Split-plot experiments may arise when it is impractical to completely randomize the treatment combinations of a designed experiment. To provide more flexible design choices in the nonregular split-plot setting, we describe an approach for constructing minimum aberration orthogonal two-level split-plot designs having 12, 16, 20 and 24 runs. We consider five design scenarios that may be of importance to practitioners, and then propose an approach for assigning word lengths under these five scenarios. We then use the extended word length patterns to rank both regular and nonregular orthogonal split-plot designs. While most existing papers concerning orthogonal split-plot designs focus on regular orthogonal designs, we find that many minimum aberration split-plot designs are nonregular orthogonal designs.     

Optimal allocation of time points for the random effects model

In this article the problem of the optimal selection and allocation of time points in repeated measures experiments is considered. D‐ optimal designs for linear regression models with a random intercept and first order auto‐regressive serial correlations are computed numerically and compared with designs having equally spaced time points. When the order of the polynomial is known and the serial correlations are not too small, the comparison shows that for any fixed number of repeated measures, a design with equally spaced time points is almost as efficient as the D‐ optimal design. When, however, there is no prior knowledge about the order of the underlying polynomial, the best choice in terms of efficiency is a D‐ optimal design for the highest possible relevant order of the polynomial. A design with equally‐spaced time points is the second best choice     

Bayesian optimal blocking of factorial designs

The presence of block effects makes the optimal selection of fractional factorial designs a difficult task. The existing frequentist methods try to combine treatment and block wordlength patterns and apply minimum aberration criterion to find the optimal design. However, ambiguities exist in combining the two wordlength patterns and therefore, the optimality of such designs can be challenged. Here we propose a Bayesian approach to overcome this problem. The main technique is to postulate a model and a prior distribution to satisfy the common assumptions in blocking and then, to develop an optimal design criterion for the efficient estimation of treatment effects. We apply our method to develop regular, nonregular, and mixed-level blocked designs. Several examples are presented to illustrate the advantages of the proposed method.     

A closer look at de-aliasing effects using an efficient foldover technique

Foldover techniques are used to reduce the confounding when some important effects (usually lower order effects) cannot be estimated independently. This article develops an efficient foldover mechanism for symmetric or asymmetric designs, whether regular or nonregular. In this paper, we take the uniformity criteria (UC) as the optimality measures to construct the optimal combined designs (initial design plus its corresponding foldover design) which have better capability of estimating lower order effects. The relationship between any initial design and its combined design is studied. A comparison study between the combined designs via different UC is provided. Equivalence between any combined design and its complementary combined design is investigated, which is a very useful constraint that reduce the search space. Using our results as benchmarks, we can implement a powerful algorithm for constructing optimal combined designs. Our work covers as well as gives results better than recent works of about 20 articles in the last few years as special cases. So this article is a good reference for constructing effective designs.     

Split-plot designs with mirror image pairs as sub-plots

In this article we investigate two-level split-plot designs where the sub-plots consist of only two mirror image trials. Assuming third and higher order interactions negligible, we show that these designs divide the estimated effects into two orthogonal sub-spaces, separating sub-plot main effects and sub-plot by whole-plot interactions from the rest. Further we show how to construct split-plot designs of projectivity P≥3. We also introduce a new class of split-plot designs with mirror image pairs constructed from non-geometric Plackett-Burman designs. The design properties of such designs are very appealing with effects of major interest free from full aliasing assuming that 3rd and higher order interactions are negligible.