On representing maximin efficient designs by Taylor series

This paper considers exponential and rational regression models that are nonlinear in some parameters. Recently, locally D-optimal designs for such models were investigated in [Melas, V. B., 2005. On the functional approach to optimal designs for nonlinear models. J. Statist. Plann. Inference 132, 93–116] based upon a functional approach. In this article a similar method is applied to construct maximin efficient D-optimal designs. This approach allows one to represent the support points of the designs by Taylor series, which gives us the opportunity to construct the designs by hand using tables of the coefficients of the series. Such tables are provided here for models with two nonlinear parameters. Furthermore, the recurrent formulas for constructing the tables for arbitrary numbers of parameters are introduced.     

Bayesian and maximin optimal designs for heteroscedastic regression models

The authors consider the problem of constructing standardized maximin D‐optimal designs for weighted polynomial regression models. In particular they show that by following the approach to the construction of maximin designs introduced recently by Dette, Haines & Imhof (2003), such designs can be obtained as weak limits of the corresponding Bayesian _q‐optimal designs. They further demonstrate that the results are more broadly applicable to certain families of nonlinear models. The authors examine two specific weighted polynomial models in some detail and illustrate their results by means of a weighted quadratic regression model and the Bleasdale–Nelder model. They also present a capstone example involving a generalized exponential growth model.     

Locally and maximin optimal designs for multi-factor nonlinear models

This paper considers the search for locally and maximin optimal designs for multi-factor nonlinear models from optimal designs for sub-models of a lower dimension. In particular, sufficient conditions are given so that maximin D-optimal designs for additive multi-factor nonlinear models can be built from maximin D-optimal designs for their sub-models with a single factor. Some examples of application are models involving exponential decay in several variables.     

A semi-infinite programming based algorithm for finding minimax optimal designs for nonlinear models

Minimax optimal experimental designs are notoriously difficult to study largely because the optimality criterion is not differentiable and there is no effective algorithm for generating them. We apply semi-infinite programming (SIP) to solve minimax design problems for nonlinear models in a systematic way using a discretization based strategy and solvers from the General Algebraic Modeling System (GAMS). Using popular models from the biological sciences, we show our approach produces minimax optimal designs that coincide with the few theoretical and numerical optimal designs in the literature. We also show our method can be readily modified to find standardized maximin optimal designs and minimax optimal designs for more complicated problems, such as when the ranges of plausible values for the model parameters are dependent and we want to find a design to minimize the maximal inefficiency of estimates for the model parameters.     

Optimal designs for the Michaelis–Menten model with correlated observations

In this paper we investigate the problem of designing experiments for generalized least-squares analysis in the Michaelis–Menten model. We study the structure of exact D-optimal designs in a model with an autoregressive error structure. Explicit results for locally D-optimal designs are derived for the case where two observations can be taken per subject. Additionally standardized maximin D-optimal designs are obtained in this case. The results illustrate the enormous difficulties to find exact optimal designs explicitly for nonlinear regression models with correlated observations.     

Robust designs for linear mixed effects models

Summary.  In health sciences, medicine and social sciences linear mixed effects models are often used to analyse time-structured data. The search for optimal designs for these models is often hampered by two problems. The first problem is that these designs are only locally optimal. The second problem is that an optimal design for one model may not be optimal for other models. In this paper the maximin principle is adopted to handle both problems, simultaneously. The maximin criterion is formulated by means of a relative efficiency measure, which gives an indication of how much efficiency is lost when the uncertainty about the models over a prior domain of parameters is taken into account. The procedure is illustrated by means of three growth studies. Results are presented for a vocabulary growth study from education, a bone gain study from medical research and an epidemiological decline in height study. It is shown that, for the mixed effects polynomial models that are applied to these studies, the maximin designs remain highly efficient for different sets of models and combinations of parameter values.     

On algorithmic construction of maximin distance designs

Maximin distance designs are useful for conducting expensive computer experiments. In this article, we compare some global optimization algorithms for constructing such designs. We also introduce several related space-filling designs, including nested maximin distance designs, sliced maximin distance designs, and general maximin distance designs with better projection properties. These designs possess more flexible structures than their analogs in the literature. Examples of these designs constructed by the algorithms are presented.     

Efficient maximin distance designs for experiments in mixtures

In this paper, different dissimilarity measures are investigated to construct maximin designs for compositional data. Specifically, the effect of different dissimilarity measures on the maximin design criterion for two case studies is presented. Design evaluation criteria are proposed to distinguish between the maximin designs generated. An optimization algorithm is also presented. Divergence is found to be the best dissimilarity measure to use in combination with the maximin design criterion for creating space-filling designs for mixture variables.     

Implementation of maximin efficient designs in dose‐finding studies

This paper considers the maximin approach for designing clinical studies. A maximin efficient design maximizes the smallest efficiency when compared with a standard design, as the parameters vary in a specified subset of the parameter space. To specify this subset of parameters in a real situation, a four‐step procedure using elicitation based on expert opinions is proposed. Further, we describe why and how we extend the initially chosen subset of parameters to a much larger set in our procedure. By this procedure, the maximin approach becomes feasible for dose‐finding studies. Maximin efficient designs have shown to be numerically difficult to construct. However, a new algorithm, the H‐algorithm, considerably simplifies the construction of these designs. We exemplify the maximin efficient approach by considering a sigmoid Emax model describing a dose–response relationship and compare inferential precision with that obtained when using a uniform design. The design obtained is shown to be at least 15% more efficient than the uniform design. © 2014 The Authors. Pharmaceutical Statistics Published by John Wiley & Sons Ltd.     

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.     

A maximin criterion for the logistic random intercept model with covariates

A maximin criterion is used to find optimal designs for the logistic random intercept model with dichotomous independent variables. The dichotomous independent variables can be subdivided into variables for which the distribution is specified prior to data sampling, called variates, and into variables for which the distribution is not specified prior to data sampling, but is obtained from data sampling, called covariates. The proposed maximin criterion maximizes the smallest possible relative efficiency not only with respect to all possible values of the model parameters, but also with respect to the joint distribution of the covariates. We have shown that, under certain conditions, the maximin design is balanced with respect to the joint distribution of the variates. The proposed method will be used to plan a (stratified) clinical trial where variates and covariates are involved.     

Optimal design for the Bradley–Terry paired comparison model

Paired comparisons are a popular tool for questionnaires in psychological marketing research. The quality of the statistical analysis of the responses heavily depends on the design, i.e. the choice of the alternatives in the comparisons. In this paper we show that the structure of locally optimal designs changes substantially with the parameters in the underlying utility. This fact is illustrated by elementary examples, where the optimal designs can be completely characterized. As an alternative maximin efficient designs are proposed which perform well for all parameter settings. Research supported by grant Ho 1286 of the German Research Council (Deutsche Forschungsgemeinschaft).     

Optimal Latin hypercube designs for the Kullback–Leibler criterion

Space-filling designs are commonly used for selecting the input values of time-consuming computer codes. Computer experiment context implies two constraints on the design. First, the design points should be evenly spread throughout the experimental region. A space-filling criterion (for instance, the maximin distance) is used to build optimal designs. Second, the design should avoid replication when projecting the points onto a subset of input variables (non-collapsing). The Latin hypercube structure is often enforced to ensure good projective properties. In this paper, a space-filling criterion based on the Kullback–Leibler information is used to build a new class of Latin hypercube designs. The new designs are compared with several traditional optimal Latin hypercube designs and appear to perform well.     

Bayes A-optimal designs for comparing test treatments with a control

The problem of comparing v test treatments simultaneously with a control treatment when k, v ⩾ 3 is considered. Following the work of Majumdar (1992), we use exact design theory to derive Bayes A-optimal block designs and optimal Г-minimax designs for a more general prior assumption for the one-way elimination of heterogeneity model. Examples of robust optimal designs, highly efficient designs, and the comparisons of the approximate optimal designs that are derived by our methods and by some other existing rounding-off schemes when using Owen's procedure are also provided.     

Optimal designs for statistical analysis with Zernike polynomials

The Zernike polynomials arise in several applications such as optical metrology or image analysis on a circular domain. In the present paper, we determine optimal designs for regression models which are represented by expansions in terms of Zernike polynomials. We consider two estimation methods for the coefficients in these models and determine the corresponding optimal designs. The first one is the classical least squares method and Φ _p -optimal designs in the sense of Kiefer [Kiefer, J., 1974, General equivalence theory for optimum designs (approximate theory). Annals of Statistics, 2 849–879.] are derived, which minimize an appropriate functional of the covariance matrix of the least squares estimator. It is demonstrated that optimal designs with respect to Kiefer's Φ _p -criteria (p>?∞) are essentially unique and concentrate observations on certain circles in the experimental domain. E-optimal designs have the same structure but it is shown in several examples that these optimal designs are not necessarily uniquely determined. The second method is based on the direct estimation of the Fourier coefficients in the expansion of the expected response in terms of Zernike polynomials and optimal designs minimizing the trace of the covariance matrix of the corresponding estimator are determined. The designs are also compared with the uniform designs on a grid, which is commonly used in this context.     

Design optimality in multi-factor generalized linear models in the presence of an unrestricted quantitative factor

In this paper we show that product type designs are optimal in partially heteroscedastic multi-factor linear models. This result is applied to obtain locally D-optimal designs in multi-factor generalized linear models by means of a canonical transformation. As a consequence we can construct optimal designs for direct logistic response as well as for Bradley–Terry type paired comparison experiments.     

Robust Linear Calibration

We regard the simple linear calibration problem where only the response y of the regression line y = β₀ + β₁ t is observed with errors. The experimental conditions t are observed without error. For the errors of the observations y we assume that there may be some gross errors providing outlying observations. This situation can be modeled by a conditionally contaminated regression model. In this model the classical calibration estimator based on the least squares estimator has an unbounded asymptotic bias. Therefore we introduce calibration estimators based on robust one-step-M-estimators which have a bounded asymptotic bias. For this class of estimators we discuss two problems: The optimal estimators and their corresponding optimal designs. We derive the locally optimal solutions and show that the maximin efficient designs for non-robust estimation and robust estimation coincide.     

Some sufficient conditions for the type 1 optimality of block designs

In this paper, we investigate the problem of determining block designs which are optimal under type 1 optimality criteria within various classes of designs having υ treatments arranged in b blocks of size k. The solutions to two optimization problems are given which are related to a general result obtained by Cheng (1978) and which are useful in this investigation. As one application of the solutions obtained, the definition of a regular graph design given in Mitchell and John (1977) is extended to that of a semi-regular graph design and some sufficient conditions are derived for the existence of a semi-regular graph design which is optimal under a given type 1 criterion. A result is also given which shows how the sufficient conditions derived can be used to establish the optimality under a specific type 1 criterion of some particular types of semi- regular graph designs having both equal and unequal numbers of replicates. Finally,some sufficient conditions are obtained for the dual of an A- or D-optimal design to be A- or D-optimal within an appropriate class of dual designs.     

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.     

Optimal U-type design for Bayesian nonparametric multiresponse prediction

This paper presents an extension of the work of Yue and Chatterjee (2010) about U-type designs for Bayesian nonparametric response prediction. We consider nonparametric Bayesian regression model with p responses. We use U-type designs with n runs, m factors and q levels for the nonparametric multiresponse prediction based on the asymptotic Bayesian criterion. A lower bound for the proposed criterion is established, and some optimal and nearly optimal designs for the illustrative models are given.