Differential evolutionary algorithm in the construction process of optimal experimental designs

This article shows how a differential evolution algorithm can be used to find statistical designs under several optimality criteria as A, D, and T. The general algorithm of differential evolution is described and then applied on constructing optimal designs for several well-known models and compare them with those already available by other algorithms, in terms of relative efficiency. Moreover, the great effect of population size in the running of this algorithm establishes a precedent in the use of differential evolution algorithms over genetic algorithms.     

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.     

Algorithmic construction of optimal block designs for two-colour cDNA microarray experiments using the linear mixed effects model

ABSTRACT

In this study, methods for efficient construction of A-, MV-, D- and E-optimal or near-optimal block designs for two-colour cDNA microarray experiments with array as the block effect are considered. Two algorithms, namely the array exchange and treatment exchange algorithms together with the complete enumeration technique are introduced. For large numbers of arrays or treatments or both, the complete enumeration method is highly computer intensive. The treatment exchange algorithm computes the optimal or near-optimal designs faster than the array exchange algorithm. The two methods however produce optimal or near-optimal designs with the same efficiency under the four optimality criteria.     

Application of genetic algorithms to the construction of exact D-optimal designs

This paper studies the application of genetic algorithms to the construction of exact D-optimal experimental designs. The concept of genetic algorithms is introduced in the general context of the problem of finding optimal designs. The algorithm is then applied specifically to finding exact D-optimal designs for three different types of model. The performance of genetic algorithms is compared with that of the modified Fedorov algorithm in terms of computing time and relative efficiency. Finally, potential applications of genetic algorithms to other optimality criteria and to other types of model are discussed, along with some open problems for possible future research.     

Balanced Asymmetrical Nearly Orthogonal Designs for first and second order effect estimation

A method for constructing asymmetrical (mixed-level) designs, satisfying the balancing and interaction estimability requirements with a number of runs as small as possible, is proposed in this paper. The method, based on a heuristic procedure, uses a new optimality criterion formulated here. The proposed method demonstrates efficiency in terms of searching time and optimality of the attained designs. A complete collection of such asymmetrical designs with two- and three-level factors is available. A technological application is also presented.     

Optimal orthogonal-array-based latin hypercubes

The use of optimal orthogonal array latin hypercube designs is proposed. Orthogonal arrays were proposed for constructing latin hypercube designs by Tang (1993). Such designs generally have better space filling properties than random latin hypercube designs. Even so, these designs do not necessarily fill the space particularly well. As a result, we consider orthogonal-array-based latin hypercube designs that try to achieve optimality in some sense. Optimization is performed by adapting strategies found in Morris & Mitchell (1995) and Ye et al. (2000). The strategies here search only orthogonal-array-based latin hypercube designs and, as a result, optimal designs are found in a more efficient fashion. The designs found are in general agreement with existing optimal designs reported elsewhere.     

Adaptive grid semidefinite programming for finding optimal designs

We find optimal designs for linear models using a novel algorithm that iteratively combines a semidefinite programming (SDP) approach with adaptive grid techniques. The proposed algorithm is also adapted to find locally optimal designs for nonlinear models. The search space is first discretized, and SDP is applied to find the optimal design based on the initial grid. The points in the next grid set are points that maximize the dispersion function of the SDP-generated optimal design using nonlinear programming. The procedure is repeated until a user-specified stopping rule is reached. The proposed algorithm is broadly applicable, and we demonstrate its flexibility using (i) models with one or more variables and (ii) differentiable design criteria, such as A-, D-optimality, and non-differentiable criterion like E-optimality, including the mathematically more challenging case when the minimum eigenvalue of the information matrix of the optimal design has geometric multiplicity larger than 1. Our algorithm is computationally efficient because it is based on mathematical programming tools and so optimality is assured at each stage; it also exploits the convexity of the problems whenever possible. Using several linear and nonlinear models with one or more factors, we show the proposed algorithm can efficiently find optimal designs.     

OPTIMAL EXPERIMENTAL DESIGNS FOR MULTILEVEL MODELS WITH COVARIATES

In this paper optimal experimental designs for multilevel models with covariates and two levels of nesting are considered. Multilevel models are used to describe the relationship between an outcome variable and a treatment condition and covariate. It is assumed that the outcome variable is measured on a continuous scale. As optimality criteria D-optimality, and L-optimality are chosen. It is shown that pre-stratification on the covariate leads to a more efficient design and that the person level is the optimal level of randomization. Furthermore, optimal sample sizes are given and it is shown that these do not depend on the optimality criterion when randomization is done at the group level.     

Max–min optimal discriminating designs for several statistical models

In the literature, different optimality criteria have been considered for model identification. Most of the proposals assume the normal distribution for the response variable and thus they provide optimality criteria for discriminating between regression models. In this paper, a max–min approach is followed to discriminate among competing statistical models (i.e., probability distribution families). More specifically, k different statistical models (plausible for the data) are embedded in a more general model, which includes them as particular cases. The proposed optimal design maximizes the minimum KL-efficiency to discriminate between each rival model and the extended one. An equivalence theorem is proved and an algorithm is derived from it, which is useful to compute max–min KL-efficiency designs. Finally, the algorithm is run on two illustrative examples.     

Orthogonal Latin hypercube designs from generalized orthogonal designs

Latin hypercube designs is a class of experimental designs that is important when computer simulations are needed to study a physical process. In this paper, we proposed some general criteria for evaluating Latin hypercube designs through their alias matrices. Moreover, a general method is proposed for constructing orthogonal Latin hypercube designs. In particular, links between orthogonal designs (ODs), generalized orthogonal designs (GODs) and orthogonal Latin hypercube designs are established. The generated Latin hypercube designs have some favorable properties such as uniformity, orthogonality of the first and some second order terms, and optimality under the defined criteria.     

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.     

Creating catalogues of two-level nonregular fractional factorial designs based on the criteria of generalized aberration

We consider the problem of constructing good two-level nonregular fractional factorial designs. The criteria of minimum G and G₂ aberration are used to rank designs. A general design structure is utilized to provide a solution to this practical, yet challenging, problem. With the help of this design structure, we develop an efficient algorithm for obtaining a collection of good designs based on the aforementioned two criteria. Finally, we present some results for designs of 32 and 40 runs obtained from applying this algorithmic approach.     

A Bayesian criterion for selecting super saturated screening designs

Super-saturated designs in which the number of factors under investigation exceeds the number of experimental runs have been suggested for screening experiments initiated to identify important factors for future study. Most of the designs suggested in the literature are based on natural but ad hoc criteria. The “average s²” criteria introduced by Booth and Cox (Technometrics 4 (1962) 489) is a popular choice. Here, a decision theoretic approach is pursued leading to an optimality criterion based on misclassification probabilities in a Bayesian model. In certain cases, designs optimal under the average s² criterion are also optimal for the new criterion. Necessary conditions for this to occur are presented. In addition, the new criterion often provides a strict preference between designs tied under the average s² criterion, which is advantageous in numerical search as it reduces the number of local minima.     

On the optimality of a class of minimal covering designs

It is shown that the minimal covering designs for v=6t+5 treatments in blocks of size 3 are optimal w.r.t. a large class of optimality criteria. This class of optimality criteria includes the well-known criteria of A-, D- and E-optimality. It is conjectured that these designs are also optimal w.r.t. other criteria suggested by Takeuchi (1961).     

Designing Experiments with Respect to 'Standardized' Optimality Criteria

We introduce a new class of `standardized' optimality criteria which depend on `standardized' covariances of the least squares estimators and provide an alternative to the commonly used criteria in design theory. Besides a nice statistical interpretation the new criteria satisfy an extremely useful invariance property which allows an easy calculation of optimal designs on many linearly transformed design spaces.     

AN ALGORITHM FOR THE CONSTRUCTION OF OPTIMAL OR NEAR-OPTIMAL CHANGE-OVER DESIGNS

This paper presents an algorithm for the construction of optimal or near optimal change-over designs for arbitrary numbers of treatments, periods and units. Previous research on optimality has been either theoretical or has resulted in limited tabulations of small optimal designs. The algorithm consists of a number of steps:first find an optimal direct treatment effects design, ignoring residual effects, and then optimise this class of designs with respect to residual effects. Poor designs are avoided by judicious application of the (M, S)-optimality criterion, and modifications of it, to appropriate matrices. The performance of the algorithm is illustrated by examples.     

Constructing optimal projection designs

ABSTRACT

The early stages of many real-life experiments involve a large number of factors among which only a few factors are active. Unfortunately, the optimal full-dimensional designs of those early stages may have bad low-dimensional projections and the experimenters do not know which factors turn out to be important before conducting the experiment. Therefore, designs with good projections are desirable for factor screening. In this regard, significant questions are arising such as whether the optimal full-dimensional designs have good projections onto low dimensions? How experimenters can measure the goodness of a full-dimensional design by focusing on all of its projections?, and are there linkages between the optimality of a full-dimensional design and the optimality of its projections? Through theoretical justifications, this paper tries to provide answers to these interesting questions by investigating the construction of optimal (average) projection designs for screening either nominal or quantitative factors. The main results show that: based on the aberration and orthogonality criteria the full-dimensional design is optimal if and only if it is optimal projection design; the full-dimensional design is optimal via the aberration and orthogonality if and only if it is uniform projection design; there is no guarantee that a uniform full-dimensional design is optimal projection design via any criterion; the projection design is optimal via the aberration, orthogonality and uniformity criteria if it is optimal via any criterion of them; and the saturated orthogonal designs have the same average projection performance.     

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.     

E-optimal designs for regression models with quantitative factors— a reasonable choice?

For regression models with quantitative factors it is illustrated that the E-optimal design can be extremely inefficient in the sense that it degenerates to a design which takes all observations at only one point. This phenomenon is caused by the different size of the elements in the covariance matrix of the least-squares estimator for the unknown parameters. For these reasons we propose to replace the E-criterion by a corresponding standardized version. The advantage of this approach is demonstrated for the polynomial regression on a nonnegative interval, where the classical and standardized E-optimal designs can be found explicitly. The described phenomena are not restricted to the E-criterion but appear for nearly all optimality criteria proposed in the literature. Therefore standardization is recommended for optimal experimental design in regression models with quantitative factors. The optimal designs with respect to the new standardized criteria satisfy a similar invariance property as the famous D-optimal designs, which allows an easy calculation of standardized optimal designs on many linearly transformed design spaces.     

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.