Experimental design for four mixture components with process variables

The experimental design to model the response of a mixture in four components in the presence of process variables is considered. Two different blocks of blends that are orthogonal for linear or quadratic blending are D-optimized. The two orthogonal blocks of blends are generalized and D-optimized in some cases (and possibly Doptimized in others) to deal with restrictions on the blending component proportions. The pair of orthogonal D-optimal blocks of blends can be used with an arbitrary number of process variables, and requires a reduced number of observations.     

Note on a mixture experiment with process variables

The experimental design to model the response of a mixture experiment in three blending components in the presence of process variables is considered. Czitrom (1988) gave an experimental design in two orthogonal blocks of blends that was "possibly" D-Optimal in the case of arbitrary restrictions on the blending component proportions. It will be shown that the design is indeed D-Optimal. The pair of orthogonal D-Optimal blocks of blends can be used with an arbitrary number of process variables and require a reduced number of observations     

Efficient arrangements of two-level orthogonal arrays in two and four blocks

When orthogonal arrays are used in practical applications, it is often difficult to perform all the designed runs of the experiment under homogeneous conditions. The arrangement of factorial runs into blocks is usually an action taken to overcome such obstacles. However, an arbitrary configuration might lead to spurious analysis results. In this work, the nice properties of two-level orthogonal arrays are taken into consideration and an effective method for arranging experimental runs into two and four blocks of the same size is proposed. This method is based on the so-called J-characteristics of the corresponding array. General theoretical results are given for studying up to four experimental factors in two blocks, as well as for studying up to three experimental factors in four blocks. Finally, we provide best blocking arrangements when the number of the factors of interest is larger, by exploiting the known lists of non-isomorphic orthogonal arrays with two levels and various run sizes.     

Interpretable dimension reduction

The analysis of high-dimensional data often begins with the identification of lower dimensional subspaces. Principal component analysis is a dimension reduction technique that identifies linear combinations of variables along which most variation occurs or which best “reconstruct” the original variables. For example, many temperature readings may be taken in a production process when in fact there are just a few underlying variables driving the process. A problem with principal components is that the linear combinations can seem quite arbitrary. To make them more interpretable, we introduce two classes of constraints. In the first, coefficients are constrained to equal a small number of values (homogeneity constraint). The second constraint attempts to set as many coefficients to zero as possible (sparsity constraint). The resultant interpretable directions are either calculated to be close to the original principal component directions, or calculated in a stepwise manner that may make the components more orthogonal. A small dataset on characteristics of cars is used to introduce the techniques. A more substantial data mining application is also given, illustrating the ability of the procedure to scale to a very large number of variables.     

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.     

Designs for two-colour microarray experiments

Summary.  Designs for two-colour microarray experiments can be viewed as block designs with two treatments per block. Explicit formulae for the A- and D-criteria are given for the case that the number of blocks is equal to the number of treatments. These show that the A- and D-optimality criteria conflict badly if there are 10 or more treatments. A similar analysis shows that designs with one or two extra blocks perform very much better, but again there is a conflict between the two optimality criteria for moderately large numbers of treatments. It is shown that this problem can be avoided by slightly increasing the number of blocks. The two colours that are used in each block effectively turn the block design into a row–column design. There is no need to use a design in which every treatment has each colour equally often: rather, an efficient row–column design should be used. For odd replication, it is recommended that the row–column design should be based on a bipartite graph, and it is proved that the optimal such design corresponds to an optimal block design for half the number of treatments. Efficient row–column designs are given for replications 3–6. It is shown how to adapt them for experiments in which some treatments have replication only 2.     

Symmetry in mixture experiments

Two types of symmetry can arise when the proportions of mixture components are constrained by upper and lower bounds. These two types of symmetry are shown to be useful for blocking first-order designs, as well as for finding the centroid of the experimental region. Orthogonal blocking of first-order mixture designs provides a method of including process variables in the mixture experiment, with the mixture terms orthogonal to the process factors. Symmetric regions are used to develop spherical and rotatable response surface designs for mixtures. The central composite design and designs based on the icosahedron and the dodecahedron are given for four-component mixtures. The uniform shell designs are three-level designs when applied to mixture experiments.     

Mixture designs for five components in orthogonal blocks

The methods developed by John and Draper et al. of partitioning the blends (runs) of four mixture components into two or more orthogonal blocks when fitting quadratic models are extended to mixtures of five components. The characteristics of Latin squares of side five are used to derive rules for reliably and quickly obtaining designs with specific properties. The designs also produce orthogonal blocks when higher order models are fitted.     

Variable selection via a multi-stage strategy

Variable selection for nonlinear regression is a complex problem, made even more difficult when there are a large number of potential covariates and a limited number of datapoints. We propose herein a multi-stage method that combines state-of-the-art techniques at each stage to best discover the relevant variables. At the first stage, an extension of the Bayesian Additive Regression tree is adopted to reduce the total number of variables to around 30. At the second stage, sensitivity analysis in the treed Gaussian process is adopted to further reduce the total number of variables. Two stopping rules are designed and sequential design is adopted to make best use of previous information. We demonstrate our approach on two simulated examples and one real data set.     

Blocking in two-level non-regular fractional factorial designs

In this paper we consider screening experiments where a two-level fractional factorial design is to be used to identify significant factors in an experimental process and where the runs in the experiment are to occur in blocks of equal size. A simple method based on the foldover technique is given for constructing resolution IV orthogonal and non-orthogonal blocked designs and examples are given to illustrate the process.     

Space-filling orthogonal arrays of strength two

This paper considers the use of orthogonal arrays of strength two as experimental designs for fitting a surrogate model. Contrary to standard space-filling designs or Latin hypercube designs, the points of an orthogonal array of strength two are well distributed when they are projected on the two-dimensional faces of the unit cube. The aim is to determine if this property allows one to fit an accurate surrogate model when the computer response is governed by second-order interactions of some input variables. The first part of the paper is devoted to the construction of orthogonal arrays with space-filling properties. In the second part, orthogonal arrays are compared with standard designs for fitting a Gaussian process model.     

Testing Equality of Order Constrained Inverse Gaussian Means

The inverse Gaussian family of non negative, skewed random variables is analytically simple, and its inference theory is well known to be analogous to the normal theory in numerous ways. Hence, it is widely used for modeling non negative positively skewed data. In this note, we consider the problem of testing homogeneity of order restricted means of several inverse Gaussian populations with a common unknown scale parameter using an approach based on the classical methods, such as Fisher's, for combining independent tests. Unlike the likelihood approach which can only be readily applied to a limited number of restrictions and the settings of equal sample sizes, this approach is applicable to problems involving a broad variety of order restrictions and arbitrary sample size settings, and most importantly, no new null distributions are needed. An empirical power study shows that, in case of the simple order, the test based on Fisher's combination method compares reasonably with the corresponding likelihood ratio procedure.     

A characterization of a universally optimal design within a class of block designs

It is shown that within the class of connected binary designs with arbitrary block sizes and arbitrary replications only a symmetic balanced incomplete block design produces a completely symmetric information matrix for the treatment effects whenever the number of blocks is equal to the number of treatments and the number of experimental units is an integer multiple of the number of treatments. Such a design is known to be universally optimal.     

Granger-causal analysis of GARCH models: A Bayesian approach

A multivariate GARCH model is used to investigate Granger causality in the conditional variance of time series. Parametric restrictions for the hypothesis of noncausality in conditional variances between two groups of variables, when there are other variables in the system as well, are derived. These novel conditions are convenient for the analysis of potentially large systems of economic variables. To evaluate hypotheses of noncausality, a Bayesian testing procedure is proposed. It avoids the singularity problem that may appear in the Wald test, and it relaxes the assumption of the existence of higher-order moments of the residuals required in classical tests.     

Design and analysis of mixture experiments with process variable

A mixture experiment is an experiment in which the response is assumed to depend on the relative proportions of the ingredients present in the mixture and not on the total amount of the mixture. In such experiment process, variables do not form any portion of the mixture but the levels changed could affect the blending properties of the ingredients. Sometimes, the mixture experiments are costly and the experiments are to be conducted in less number of runs. Here, a general method for construction of efficient mixture experiments in a minimum number of runs by the method for projection of efficient response surface design onto the constrained region is obtained. The efficient designs with a less number of runs have been constructed for 3rd, 4th, and 5th component of mixture experiments with one process variable.     

A class of single replicate orthogonal designs

A simple method is given to calculate the number of degrees of freedom confounded with blocks of a specific factorial effect in a single replicate orthogonal design. Two classes of designs having partial orthogonality are also discussed     

Connectedness of complete block designs under an interference model

We consider an experiment with fixed number of blocks, in which a response to a treatment can be affected by treatments from neighboring units. For such experiment the interference model with neighbor effects is studied. Under this model we study connectedness of binary complete block designs. Assuming the circular interference model with left-neighbor effects we give the condition for minimal number of blocks necessary to obtain connected design. For a specified class of binary, complete block designs, we show that all designs are connected. Further we present the sufficient and necessary conditions of connectedness of designs with arbitrary, fixed number of blocks.     

Partially A-optimal blocked multi-factor designs

In this paper, we propose a partially A-optimal criterion for block designs where multiple factors are arranged. The number of levels of each factor is assumed to be arbitrary and unequal block sizes are allowed. A sufficient condition is derived for a design to be partially A-optimal among all feasible designs. Then the properties of the selected design and its relation with orthogonal arrays are studied. Methods of constructing designs satisfying the sufficient condition are also given.     

Batch sequential designs for computer experiments

Computer models simulating a physical process are used in many areas of science. Due to the complex nature of these codes it is often necessary to approximate the code, which is typically done using a Gaussian process. In many situations the number of code runs available to build the Gaussian process approximation is limited. When the initial design is small or the underlying response surface is complicated this can lead to poor approximations of the code output. In order to improve the fit of the model, sequential design strategies must be employed. In this paper we introduce two simple distance based metrics that can be used to augment an initial design in a batch sequential manner. In addition we propose a sequential updating strategy to an orthogonal array based Latin hypercube sample. We show via various real and simulated examples that the distance metrics and the extension of the orthogonal array based Latin hypercubes work well in practice.     

ADJUSTED ORTHOGONAL NESTED ROW-COLUMN DESIGNS

Adjusted orthogonality in nested row-column designs is defined and a sufficient condition established for its existence. It is shown that the properties of an adjusted orthogonal nested row-column design are directly related to those of its separate row and column component designs. A method for constructing efficient adjusted orthogonal designs involving a single replicate of every treatment in each of two blocks is given.