Optimum mixture designs in some constrained experimental regions

In a mixture experiment, the response depends on the mixing proportions of the components present in the mixture. Optimum designs are available for the estimation of parameters of the models proposed in such situations. However, these designs are found to include the vertex points of the simplex Ξ defining the experimental region, which are not mixtures in the true sense. Recently, Mandal et al. (2015 Mandal, N.K., Pal, M., Sinha, B.K., and Das, P. (2015). Optimum mixture designs in a restricted region. Stat. Pap. 56(1):105–119.[Crossref], [Web of Science ®] , [Google Scholar]) derived optimum designs when the experiment is confined to an ellipsoidal region within Ξ, which does not include the vertices of Ξ. In this paper, an attempt has been made to find optimum designs when the experimental region is a simplex or is cuboidal inside Ξ and does not contain the extreme points.     

Restricted region designs for multifactor mixture experiments

Designs for multifactor mixture experiments in which the component proportions are restricted by some specified lower and upper limits, are called restricted region designs (RRD) for multifactor mixture experiments. In this paper (i) a method of construction of designs for multifactor mixture experiments and (ii) two methods of constructing RRD for multifactor mixture experiments are described. Examples to illustrate the methods of construction have been given.     

Optimum designs for parameter estimation in a mixture experiment with two correlated responses

In this paper, we investigate a mixture problem with two responses, which are functions of the mixing proportions, and are correlated with known dispersion matrix. We obtain D- and A-optimal designs for estimating the parameters of the response functions, when none or some of the regression coefficients of the two functions are the same. It is shown that when no prior knowledge about the regression coefficients is available, the D-optimal design is independent of the dispersion matrix, while the A-optimal design depends on it, provided the response functions are of different degree. On the other hand, when some of the regression coefficients are known to be the same for both the functions, the D-optimal design depends on the dispersion matrix when the two response functions are not of the same degree.     

Rank regression in order restricted randomised designs

This paper uses order restricted randomised design (ORRD) to create a judgment ranked blocking factor based on available subjective information in a small set of experimental units (EUs). The design then performs a carefully designed randomisation scheme with certain restriction to assign the treatment levels to EUs across these subjective judgment blocks. Such an assignment induces positive dependence among within-set units, and the restrictions on the randomisation translate this positive dependence into a variance reduction technique. We provide a unified theory to analyse the data sets collected from an ORRD. The analysis uses the general framework of rank regression methodology in linear models, with some modification to our randomisation scheme, to estimate regression parameter and to test general linear hypotheses. It is shown that the estimators and test statistics have limiting normal and chi-square distributions regardless the quality of ranking information. A simulation study shows that the asymptotic results remain valid even for relatively small sample sizes. The proposed tests are applied to a clinical trial data set.     

Optimum designs in complete two-way layouts

In the usual two-way layout of ANOVA (interactions are admitted) let nij ? 1 be the number of observations for the factor-level combination(i, j). For testing the hypothesis that all main effects of the first factor vanish numbers $\text{n}{}^1\text{ij}$ are given such that the power function of the F-test is uniformly maximized (U-optimality), if one considers only designs (nij) for which the row-sums ni are prescribed. Furthermore, in the (larger) set of all designs for which the total number of observations is given, all D-optimum designs are constructed.     

Optimum two stage group-screening designs

In this paper, emphasis has been given to both the expected number of runs and the expected number of incorrect decisions and two stage group-screening designs have been obtained which minimise one fixing the other or minimise some sort of cost function which connects the two. Some group-screening plans have been given at the end as illustrations.     

Marginally restricted D-optimal designs for correlated observations

Two practical degrees of complexity may arise when designing an experiment for a model of a real life case. First, some explanatory variables may not be under the control of the practitioner. Secondly, the responses may be correlated. In this paper three real life cases in this situation are considered. Different covariance structures are studied and some designs are computed adapting the theory of marginally restricted designs for correlated observations. An exchange algorithm given by Brimkulov's algorithm is also adapted to marginally restricted D–optimality and it is applied to a complex situation.     

D-optimal statistical designs with restricted string property

This paper applies Frechet derivatives to derive asymp-totically D-optimal statistical designs where the designmatrix is a (O,l)-matrix having exactly one run [of length at most k(, the number of parameters) of l's in each row. These asymptotic results have been utilized in dealing with the more intractable design problem with a finite number of observations. The problemof E-optimality has also been considered.     

A-optimal designs for optimum mixture in an additive quadratic mixture model

In the analysis of experiments with mixtures, quadratic models have been widely used. The optimum designs for the estimation of optimum mixing proportions in a quadratic mixture model have been studied by Pal and Mandal [Optimum designs for optimum mixtures. Statist Probab Lett. 2006;76:1369–1379] and Mandal et al. [Optimum mixture designs: a pseudo-Bayesian approach. J Ind Soc Agric Stat. 2008;62(2):174–182; Optimum mixture designs under constraints on mixing components. Statist Appl. 2008;6(1&2) (New Series): 189–205], using a pseudo-Bayesian approach. In this paper, a similar approach has been employed to obtain the A-optimal designs for the estimation of optimum proportions in an additive quadratic mixture model, proposed by Darroch and Waller [Additivity and interaction in three-component experiments with mixture. Biometrika. 1985;72:153–163], when the number of components is 3, 4 and 5. It has been shown that the vertices of the simplex are necessarily the support points of the optimum design, and the other support points include barycentres of depth at most 2.     

Efficient designs for constrained mixture experiments

Many practical experiments on mixtures (where the components sum to one) include additional lower or upper bounds on components, or on linear combinations of them. Usually theory cannot be used to obtain a good design, and algorithmic methods are necessary. Some of the available methods are discussed. Their performance is evaluated on some examples, and the form of the optimal design is investigated.     

Subset selection in two-factor experiments using randomization restricted designs

This paper studies subset selection procedures for screening in two-factor treatment designs that employ either a split-plot or strip-plot randomization restricted experimental design laid out in blocks. The goal is to select a subset of treatment combinations associated with the largest mean. In the split-plot design, it is assumed that the block effects, the confounding effects (whole-plot error) and the measurement errors are normally distributed. None of the selection procedures developed depend on the block variances. Subset selection procedures are given for both the case of additive and non-additive factors and for a variety of circumstances concerning the confounding effect and measurement error variances. In particular, procedures are given for (1) known confounding effect and measurement error variances (2) unknown measurement error variance but known confounding effect (3) unknown confounding effect and measurement error variances. The constants required to implement the procedures are shown to be obtainable from available FORTRAN programs and tables. Generalization to the case of strip-plot randomization restriction is considered.     

Uniform coverage designs for mixture experiments

We investigate an optimization problem for mixture experiments. We consider the case when a large number of ingredients are available but mixtures can contain only a few number of ingredients. These conditions are held in experiments for self assembling molecular systems. First, we introduce a concept of uniform coverage design specialized for the situation. Next, we propose to use the stepwise technique for estimating coefficients of third-order Scheffe model which describes a response surface. After that, we propose a method of adding new mixtures for a movement to an extremum region. By this method, additional mixtures of experiments are extremum points of current estimated model and points which lead to more accurate estimation of current model prediction. This methodology is studied numerically for a model constructed from real data.     

Optimum properties of latin square designs and a matrix inequality

The paper deals with uniform and D-optimality of designs in the two-way elimination of heterogeneities. It is shown that designs which are optimum for the hypothesis that all treatment effects are equal are optimum for some other hypotheses, too. The Proof is based on a new matrix- and determinantal inequality.     

Projection designs for mixture experiments in orthogonal blocks

Mixture experiments are often carried out in the presence of process variables, such as days of the week or different machines in a manufacturing process, or different ovens in bread and cake making. In such experiments it is particularly useful to be able to arrange the design in orthogonal blocks, so that the model in tue mixture vanauies may ue iitteu inucpenuentiy or tne UIOCK enects mtrouuceu to take account of the changes in the process variables. It is possible in some situations that some of the ingredients in the mixture, such as additives or flavourings, are present in soian quantities, pernaps as iuw a.s 5% ur even !%, resulting in the design space being restricted to only part of the mixture simplex. Hau and Box (1990) discussed the construction of experimental designs for situations where constraints are placed on the design variables. They considered projecting standard response surface designs, including factorial designs and central composite designs, into the restricted design space, and showed that the desirable property of block orthogonality is preserved by the projections considered. Here we present a number of examples of projection designs and illustrate their use when some of the ingredients are restricted to small values, such that the design space is restricted to a sub-region within the usual simplex in the mixture variables.     

Marginally restricted sequential D‐optimal designs

In many experiments, not all explanatory variables can be controlled. When the units arise sequentially, different approaches may be used. The authors study a natural sequential procedure for “marginally restricted” D‐optimal designs. They assume that one set of explanatory variables (x₁) is observed sequentially, and that the experimenter responds by choosing an appropriate value of the explanatory variable x₂. In order to solve the sequential problem a priori, the authors consider the problem of constructing optimal designs with a prior marginal distribution for x₁. This eliminates the influence of units already observed on the next unit to be designed. They give explicit designs for various cases in which the mean response follows a linear regression model; they also consider a case study with a nonlinear logistic response. They find that the optimal strategy often consists of randomizing the assignment of the values of x₂.     

Using quantile plots of the prediction variance for comparing designs for a constrained mixture region: an application involving a fertilizer experiment

Summary. Vining and co-workers have used plots of the prediction variance trace (PVT) along the so-called prediction rays to compare mixture designs in a constrained region R . In the present paper, we propose a method for describing the distribution of the prediction variance within the region R by using quantile plots. More comprehensive comparisons between mixture designs are possible through the proposed plots than with the PVT plots. The utility of the quantile plots is illustrated with a four-component fertilizer experiment that was initiated in São Paulo, Brazil.     

Optimum covariate designs in split-plot and strip-plot design set-ups

The problem considered is that of finding optimum covariate designs for estimation of covariate parameters in standard split-plot and strip-plot design set-ups with the levels of the whole-plot factor in r randomised blocks. Also an extended version of a mixed orthogonal array has been introduced, which is used to construct such optimum covariate designs. Hadamard matrices, as usual, play the key role for such construction.     

Experimental designs for mixture systems with multicomponent constraints

In an earlier paper it was recommended that an experimental design for the study of a mixture system in which the components had lower and upper limits should consist of a subset of the vertices and centroids of the region defined by the limitson the components. This paper extends this methodology to the situation where linear combinations of two or more components (e.g., liquid content=x₃+x₄+≦0.35) are subject to lower and upper constraints. The CONSIM algorithm, developed by R. E. Wheeler, is recommended for computing the vertices of the resulting experimental region. Procedures for developing linear and quadratic mixture model designs are discussed. A five-component example which has two multiple-component constraints is included to illustrate the proposed methods of mixture experimentation.     

Optimal designs for second-degree Kronecker model mixture experiments

The paper investigates optimal designs in the second-degree Kronecker model for mixture experiments. Three groups of novel results are presented: (i) characterization of feasible weighted centroid designs for a maximum parameter system, (ii) derivations of D-, A-, and E-optimal weighted centroid designs, and (iii) numerically φ_p-optimal weighted centroid designs. Results on a quadratic subspace of invariant symmetric matrices containing the information matrices involved in the design problem serve as a main tool throughout the analysis.