A new model and class of designs for mixture experiments with process variables

Experiments that involve the blending of several components are known as mixture experiments. In some mixture experiments, the response depends not only on the proportion of the mixture components, but also on the processing conditions, A new combined model is proposed which is based on Taylor series approximation and is intended to be a compromise between standard mixture models and standard response surface models. Cost and/or time constraints often limit the size of industrial experiments. With this in mind, we present a new class of designs that will accommodate the fitting of the new combined model.     

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.     

Optimal orthogonal block designs for a quadratic mixture model for three components

In experiments with mixtures that involve process variables, if the response function is expressed as the sum of a function of mixture components and a function of process variables, then the parameters in the mixture part and in the process part can be estimated independently using orthogonal block designs. This paper is concerned with such a block design for parameter estimation in the mixture part of a quadratic mixture model for three mixture components. The behaviour of the eigenvalues of the moment matrix of the design is investigated in detail, the design is optimized according to E- and Aoptimality criteria, and the results are compared together with a known result on Doptimality. It is found that this block design is robust with respect to these diff erent optimality criteria against the shifting of experimental points. As a result, we recommend experimental points of the form (a, b, c) in the simplex S2, where c=0, b=1-a, and a can be any value in the range 0.17+/-0.02.     

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.     

Bayesian two-stage optimal design for mixture models

In this paper, a Bayesian two-stage D–D optimal design for mixture experimental models under model uncertainty is developed. A Bayesian D-optimality criterion is used in the first stage to minimize the determinant of the posterior variances of the parameters. The second stage design is then generated according to an optimalityprocedure that collaborates with the improved model from the first stage data. The results show that a Bayesian two-stage D–D-optimal design for mixture experiments under model uncertainty is more efficient than both the Bayesian one-stage D-optimal design and the non-Bayesian one-stage D-optimal design in most situations. Furthermore, simulations are used to obtain a reasonable ratio of the sample sizes between the two stages.     

Testing for a finite mixture model with two components

Summary.  We consider a finite mixture model with k components and a kernel distribution from a general one-parameter family. The problem of testing the hypothesis k =2 versus k 3 is studied. There has been no general statistical testing procedure for this problem. We propose a modified likelihood ratio statistic where under the null and the alternative hypotheses the estimates of the parameters are obtained from a modified likelihood function. It is shown that estimators of the support points are consistent. The asymptotic null distribution of the modified likelihood ratio test proposed is derived and found to be relatively simple and easily applied. Simulation studies for the asymptotic modified likelihood ratio test based on finite mixture models with normal, binomial and Poisson kernels suggest that the test proposed performs well. Simulation studies are also conducted for a bootstrap method with normal kernels. An example involving foetal movement data from a medical study illustrates the testing procedure.     

D-optimal design for a quadratic log contrast model for experiments with mixtures

A practical method is suggested for solving complicated D-optimal design problems analytically. Using this method the author has solved the problem for a quadratic log contrast model for experiments with mixtures introduced by J. Aitchison and J. Bacon-Shone. It is found that for a symmetric subspace of the finite dimensional simplex, the vertices and the centroid of this subspace are the only possible support points for a D-optimal design. The weights that must be assigned to these support points contain irrational numbers and are constrained by a system of three simultaneous linear equations, except for the special cases of 1- and 2-dimensional simplexes where the situation is much simpler. Numerical values for the solution are given up to the 19-dimensional simplex     

A Bayesian mixture model for differential gene expression

Summary.  We propose model-based inference for differential gene expression, using a nonparametric Bayesian probability model for the distribution of gene intensities under various conditions. The probability model is a mixture of normal distributions. The resulting inference is similar to a popular empirical Bayes approach that is used for the same inference problem. The use of fully model-based inference mitigates some of the necessary limitations of the empirical Bayes method. We argue that inference is no more difficult than posterior simulation in traditional nonparametric mixture-of-normal models. The approach proposed is motivated by a microarray experiment that was carried out to identify genes that are differentially expressed between normal tissue and colon cancer tissue samples. Additionally, we carried out a small simulation study to verify the methods proposed. In the motivating case-studies we show how the nonparametric Bayes approach facilitates the evaluation of posterior expected false discovery rates. We also show how inference can proceed even in the absence of a null sample of known non-differentially expressed scores. This highlights the difference from alternative empirical Bayes approaches that are based on plug-in estimates.     

A mixture model for random graphs

The Erdös–Rényi model of a network is simple and possesses many explicit expressions for average and asymptotic properties, but it does not fit well to real-world networks. The vertices of those networks are often structured in unknown classes (functionally related proteins or social communities) with different connectivity properties. The stochastic block structures model was proposed for this purpose in the context of social sciences, using a Bayesian approach. We consider the same model in a frequentest statistical framework. We give the degree distribution and the clustering coefficient associated with this model, a variational method to estimate its parameters and a model selection criterion to select the number of classes. This estimation procedure allows us to deal with large networks containing thousands of vertices. The method is used to uncover the modular structure of a network of enzymatic reactions.     

Bayesian analysis for heteroscedastic normal-Pareto mixture model with application

ABSTRACT

In this article, we propose a new distribution by mixing normal and Pareto distributions, and the new distribution provides an unusual hazard function. We model the mean and the variance with covariates for heterogeneity. Estimation of the parameters is obtained by the Bayesian method using Markov Chain Monte Carlo (MCMC) algorithms. Proposal distribution in MCMC is proposed with a defined working variable related to the observations. Through the simulation, the method shows a dependable performance of the model. We demonstrate through establishing model under a real dataset that the proposed model and method can be more suitable than the previous report.     

On a mixture autoregressive model

We generalize the Gaussian mixture transition distribution (GMTD) model introduced by Le and co-workers to the mixture autoregressive (MAR) model for the modelling of non-linear time series. The models consist of a mixture of K stationary or non-stationary AR components. The advantages of the MAR model over the GMTD model include a more full range of shape changing predictive distributions and the ability to handle cycles and conditional heteroscedasticity in the time series. The stationarity conditions and autocorrelation function are derived. The estimation is easily done via a simple EM algorithm and the model selection problem is addressed. The shape changing feature of the conditional distributions makes these models capable of modelling time series with multimodal conditional distributions and with heteroscedasticity. The models are applied to two real data sets and compared with other competing models. The MAR models appear to capture features of the data better than other competing models do.     

An em algorithm for a semiparametric finite mixture model

We propose a semiparametric version of the EM algorithm under the semiparametric mixture model introduced by Anderson (1979, Biometrika , 66 , 17-26). It is shown that the sequence of proposed EM iterates, irrespective of the starting value, converges to the maximum semiparametric likelihood estimator of the vector of parameters in the semiparametric mixture model. The proposed EM algorithm preserves the appealing monotone convergence property of the standard EM algorithm and can be implemented by employing the standard logistic regression program. We present one example to demonstrate the performance of the proposed EM algorithm.     

Homogeneity testing in a Weibull mixture model

The mixed Weibull distribution provides a flexible model to analyze random durations in a possibly heterogeneous population. To test for homogeneity against unobserved heterogeneity in a Weibull mixture model, a dispersion score test and a goodness-of-fit test are investigated. The empirical power of these tests is assessed and compared on a broad range of alternatives. It comes out that the dispersion score test, as it is based on a Weibull-to-exponential transformation, often breaks down. A simple new procedure is introduced for Weibull mixtures in scale, which combines the dispersion score test and the goodness-of-fit test. The new test is compared with several known procedures and shown to have a good overall power. To detect mixtures in shape and scale, a goodness-of-fit test is recommended. This research has been partially sponsored by a grant of the Deutsche Forschungsgemeinschaft. We thank Lars Haferkamp for computational assistance and Wilfried Seidel and a referee for their remarks on alternative test procedures.     

Optimal designs for additive mixture model with heteroscedastic errors

This paper presents a study of D- and A-optimality of direct sum designs for additive mixture models when the errors are heteroscedastic. Sufficient conditions are given so that D- and A-optimal designs for additive mixture models can be constructed from the D- and A-optimal designs for homogeneous models in sub-mixture systems.     

A practical sampling approach for a Bayesian mixture model with unknown number of components

Recently, mixture distribution becomes more and more popular in many scientific fields. Statistical computation and analysis of mixture models, however, are extremely complex due to the large number of parameters involved. Both EM algorithms for likelihood inference and MCMC procedures for Bayesian analysis have various difficulties in dealing with mixtures with unknown number of components. In this paper, we propose a direct sampling approach to the computation of Bayesian finite mixture models with varying number of components. This approach requires only the knowledge of the density function up to a multiplicative constant. It is easy to implement, numerically efficient and very practical in real applications. A simulation study shows that it performs quite satisfactorily on relatively high dimensional distributions. A well-known genetic data set is used to demonstrate the simplicity of this method and its power for the computation of high dimensional Bayesian mixture models.     

Particle filters for mixture models with an unknown number of components

We consider the analysis of data under mixture models where the number of components in the mixture is unknown. We concentrate on mixture Dirichlet process models, and in particular we consider such models under conjugate priors. This conjugacy enables us to integrate out many of the parameters in the model, and to discretize the posterior distribution. Particle filters are particularly well suited to such discrete problems, and we propose the use of the particle filter of Fearnhead and Clifford for this problem. The performance of this particle filter, when analyzing both simulated and real data from a Gaussian mixture model, is uniformly better than the particle filter algorithm of Chen and Liu. In many situations it outperforms a Gibbs Sampler. We also show how models without the required amount of conjugacy can be efficiently analyzed by the same particle filter algorithm.     

A new mixture model for capture heterogeneity

Summary.  We propose a mixture of binomial and beta–binomial distributions for estimating the size of closed populations. The new mixture model is applied to several real capture–recapture data sets and is shown to provide a convenient, objective framework for model selection. The new model is compared with three alternative models in a simulation study, and the results shed light on the general performance of models in this area. The new model provides a robust flexible analysis, which automatically deals with small capture probabilities.     

On selecting a prior for the precision parameter of Dirichlet process mixture models

In hierarchical mixture models the Dirichlet process is used to specify latent patterns of heterogeneity, particularly when the distribution of latent parameters is thought to be clustered (multimodal). The parameters of a Dirichlet process include a precision parameter α$\alpha$ and a base probability measure _G0$G_0$. In problems where α$\alpha$ is unknown and must be estimated, inferences about the level of clustering can be sensitive to the choice of prior assumed for α$\alpha$. In this paper an approach is developed for computing a prior for the precision parameter α$\alpha$ that can be used in the presence or absence of prior information about the level of clustering. This approach is illustrated in an analysis of counts of stream fishes. The results of this fully Bayesian analysis are compared with an empirical Bayes analysis of the same data and with a Bayesian analysis based on an alternative commonly used prior.