Sampling based approach for one-hit and multi-hit models in quantal bioassay

Bayesian methods for estimating the dose response curves with the one-hit model, the gamma multi-hit model, and their modified versions with Abbott's correction are studied. The Gibbs sampling approach with data augmentation and with the Metropolis algorithm is employed to compute the Bayes estimates of the potency curves. In addition, estimation of the relative additional risk and the virtually safe dose is studied. Model selection based on conditional predictive ordinates from cross-validated data is developed.     

Interpolation models with multiple hyperparameters

A traditional interpolation model is characterized by the choice of regularizer applied to the interpolant, and the choice of noise model. Typically, the regularizer has a single regularization constant , and the noise model has a single parameter . The ratio / alone is responsible for determining globally all these attributes of the interpolant: its complexity, flexibility, smoothness, characteristic scale length, and characteristic amplitude. We suggest that interpolation models should be able to capture more than just one flavour of simplicity and complexity. We describe Bayesian models in which the interpolant has a smoothness that varies spatially. We emphasize the importance, in practical implementation, of the concept of conditional convexity when designing models with many hyperparameters. We apply the new models to the interpolation of neuronal spike data and demonstrate a substantial improvement in generalization error.     

Applications of a general propagation algorithm for probabilistic expert systems

A probabilistic expert system provides a graphical representation of a joint probability distribution which can be used to simplify and localize calculations. Jensenet al. (1990) introduced a flow-propagation algorithm for calculating marginal and conditional distributions in such a system. This paper analyses that algorithm in detail, and shows how it can be modified to perform other tasks, including maximization of the joint density and simultaneous fast retraction of evidence entered on several variables.     

Threshold-range scaling of excitable cellular automata

Each cell of a two-dimensional lattice is painted one of colors, arranged in a color wheel. The colors advance (k tok+1 mod ) either automatically or by contact with at least a threshold number of successor colors in a prescribed local neighborhood. Discrete-time parallel systems of this sort in which color 0 updates by contact and the rest update automatically are called Greenberg-Hastings (GH) rules. A system in which all colors update by contact is called a cyclic cellular automation (CCA). Started from appropriate initial conditions, these models generate periodic traveling waves. Started from random configurations the same rules exhibit complex self-organization, typically characterized by nucleation of locally periodic ram's horns or spirals. Corresponding random processes give rise to a variety of forest fire equilibria that display large-scale stochastic wave fronts. This paper describes a framework, theoretically based, but relying on extensive interactive computer graphics experimentation, for investigation of the complex dynamics shared by excitable media in a broad spectrum of scientific contexts. By focusing on simple mathematical prototypes we hope to obtain a better understanding of the basic organizational principles underlying spatially distributed oscillating systems.     

Non-standard methods in evolutionary computation

The paper presents non-standard methods in evolutionary computation and discusses their applicability to various optimization problems. These methods maintain populations of individuals with nonlinear chromosomal structure and use genetic operators enhanced by the problem specific knowledge.     

Sampling from multimodal distributions using tempered transitions

I present a new Markov chain sampling method appropriate for distributions with isolated modes. Like the recently developed method of simulated tempering, the tempered transition method uses a series of distributions that interpolate between the distribution of interest and a distribution for which sampling is easier. The new method has the advantage that it does not require approximate values for the normalizing constants of these distributions, which are needed for simulated tempering, and can be tedious to estimate. Simulated tempering performs a random walk along the series of distributions used. In contrast, the tempered transitions of the new method move systematically from the desired distribution, to the easily-sampled distribution, and back to the desired distribution. This systematic movement avoids the inefficiency of a random walk, an advantage that is unfortunately cancelled by an increase in the number of interpolating distributions required. Because of this, the sampling efficiency of the tempered transition method in simple problems is similar to that of simulated tempering. On more complex distributions, however, simulated tempering and tempered transitions may perform differently. Which is better depends on the ways in which the interpolating distributions are deceptive.     

A new test for the presence of a normal mixture distribution based on the posterior Bayes factor

We present a new test for the presence of a normal mixture distribution, based on the posterior Bayes factor of Aitkin (1991). The new test has slightly lower power than the likelihood ratio test. It does not require the computation of the MLEs of the parameters or a search for multiple maxima, but requires computations based on classification likelihood assignments of observations to mixture components.     

A Diagnostic for Association in Bivariate Survival Models

We propose exploratory, easily implemented methods for diagnosing the appropriateness of an underlying copula model for bivariate failure time data, allowing censoring in either or both failure times. It is found that the proposed approach effectively distinguishes gamma from positive stable copula models when the sample is moderately large or the association is strong. Data from the Womens Health and Aging Study (WHAS, Guralnik et al., The Womenss Health and Aging Study: Health and Social Characterisitics of Older Women with Disability. National Institute on Aging: Bethesda, Mayland, 1995) are analyzed to demonstrate the proposed diagnostic methodology. The positive stable model gives a better overall fit to these data than the gamma frailty model, but it tends to underestimate association at the later time points. The finding is consistent with recent theory differentiating catastrophic from progressive disability onset in older adults. The proposed methods supply an interpretable quantity for copula diagnosis. We hope that they will usefully inform practitioners as to the reasonableness of their modeling choices.     

MML Markov classification of sequential data

General purpose un-supervised classification programs have typically assumed independence between observations in the data they analyse. In this paper we report on an extension to the MML classifier Snob which enables the program to take advantage of some of the extra information implicit in ordered datasets (such as time-series). Specifically the data is modelled as if it were generated from a first order Markov process with as many states as there are classes of observation. The state of such a process at any point in the sequence determines the class from which the corresponding observation is generated. Such a model is commonly referred to as a Hidden Markov Model. The MML calculation for the expected length of a near optimal two-part message stating a specific model of this type and a dataset given this model is presented. Such an estimate enables us to fairly compare models which differ in the number of classes they specify which in turn can guide a robust un-supervised search of the model space. The new program, tSnob, is tested against both synthetic data and a large real world dataset and is found to make unbiased estimates of model parameters and to conduct an effective search of the extended model space.     

Comparisons of Test Statistics Arising from Marginal Analyses of Multivariate Survival Data

We investigate the properties of several statistical tests for comparing treatment groups with respect to multivariate survival data, based on the marginal analysis approach introduced by Wei, Lin and Weissfeld [Regression Analysis of multivariate incomplete failure time data by modelling marginal distributians, JASA vol. 84 pp. 1065–1073]. We consider two types of directional tests, based on a constrained maximization and on linear combinations of the unconstrained maximizer of the working likelihood function, and the omnibus test arising from the same working likelihood. The directional tests are members of a larger class of tests, from which an asymptotically optimal test can be found. We compare the asymptotic powers of the tests under general contiguous alternatives for a variety of settings, and also consider the choice of the number of survival times to include in the multivariate outcome. We illustrate the results with simulations and with the results from a clinical trial examining recurring opportunistic infections in persons with HIV.     

The German Administrative Record Census – An object identification problem

Summary: The next German census will be an Administrative Record Census. Data from several administrative registers about persons will be merged. Object identification has to be applied, since no unique identification number exists in the registers. We present a two–step procedure. We briefly discuss questions like correctness and completeness of the Administrative Record Census. Then we focus on the object identification problem, that can be perceived as a special classification problem. Pairs of records are to be classified as matched or not matched. To achieve computational efficiency a preselection technique of pairs is applied. Our approach is illustrated with a database containing a large set of consumer addresses.*This work was partially supported by the Berlin–Brandenburg Graduate School in Distributed Information Systems (DFG grant no. GRK 316). The authors thank Michael Fürnrohr for previewing the paper. We would like to thank also for the helpful comments of an anonymous reviewer.     

The calibration of P-values,posterior Bayes factors and the AIC from the posterior distribution of the likelihood

The posterior distribution of the likelihood is used to interpret the evidential meaning of P-values, posterior Bayes factors and Akaike's information criterion when comparing point null hypotheses with composite alternatives. Asymptotic arguments lead to simple re-calibrations of these criteria in terms of posterior tail probabilities of the likelihood ratio. (Prior) Bayes factors cannot be calibrated in this way as they are model-specific.     

Probabilistic ‘generalization’ of functions and dimension-based uniform convergence results

In this largely expository article, we highlight the significance of various types of dimension for obtaining uniform convergence results in probability theory and we demonstrate how these results lead to certain notions of generalization for classes of binary-valued and real-valued functions. We also present new results on the generalization ability of certain types of artificial neural networks with real output.     

Principal curves revisited

A principal curve (Hastie and Stuetzle, 1989) is a smooth curve passing through the middle of a distribution or data cloud, and is a generalization of linear principal components. We give an alternative definition of a principal curve, based on a mixture model. Estimation is carried out through an EM algorithm. Some comparisons are made to the Hastie-Stuetzle definition.     

Simple boundary correction for kernel density estimation

If a probability density function has bounded support, kernel density estimates often overspill the boundaries and are consequently especially biased at and near these edges. In this paper, we consider the alleviation of this boundary problem. A simple unified framework is provided which covers a number of straightforward methods and allows for their comparison: generalized jackknifing generates a variety of simple boundary kernel formulae. A well-known method of Rice (1984) is a special case. A popular linear correction method is another: it has close connections with the boundary properties of local linear fitting (Fan and Gijbels, 1992). Links with the optimal boundary kernels of Müller (1991) are investigated. Novel boundary kernels involving kernel derivatives and generalized reflection arise too. In comparisons, various generalized jackknifing methods perform rather similarly, so this, together with its existing popularity, make linear correction as good a method as any. In an as yet unsuccessful attempt to improve on generalized jackknifing, a variety of alternative approaches is considered. A further contribution is to consider generalized jackknife boundary correction for density derivative estimation. En route to all this, a natural analogue of local polynomial regression for density estimation is defined and discussed.     

EM-based maximum likelihood parameter estimation for multivariate generalized hyperbolic distributions with fixed λ

Generalized Hyperbolic distribution (Barndorff-Nielsen 1977) is a variance-mean mixture of a normal distribution with the Generalized Inverse Gaussian distribution. Recently subclasses of these distributions (e.g., the hyperbolic distribution and the Normal Inverse Gaussian distribution) have been applied to construct stochastic processes in turbulence and particularly in finance, where multidimensional problems are of special interest. Parameter estimation for these distributions based on an i.i.d. sample is a difficult task even for a specified one-dimensional subclass (subclass being uniquely defined by ) and relies on numerical methods. For the hyperbolic subclass ( = 1), computer program hyp (Blæsild and Sørensen 1992) estimates parameters via ML when the dimensionality is less than or equal to three. To the best of the author's knowledge, no successful attempts have been made to fit any given subclass when the dimensionality is greater than three. This article proposes a simple EM-based (Dempster, Laird and Rubin 1977) ML estimation procedure to estimate parameters of the distribution when the subclass is known regardless of the dimensionality. Our method relies on the ability to numerically evaluate modified Bessel functions of the third kind and their logarithms, which is made possible by currently available software. The method is applied to fit the five dimensional Normal Inverse Gaussian distribution to a series of returns on foreign exchange rates.     

The exponentiation formula of reliability and survival: Does it always hold?

In reliability and biometry, it is common practice to choose a failure model by first assessing the failure rate function subjectively, and then invoking the well known exponentiation formula. The derivation of this formula is based on the assumption that the underlying failure distribution be absolutely continuous. Thus, implicit in the above approach is the understanding that the selected failure distribution will be absolutely continuous. The purpose of this note is to point out that the absolute continuity may fail when the failure rate is assessed conditionally, and in particular when it is conditioned on certain types of covariates, called internal covariates. When such is the case, the exponentiation formula should not be used.     

The Statistics of Simulating Chaos

When simulating a dynamical system, the computation is actually of a spatially discretized system, because finite machine arithmetic replaces continuum state space. For chaotic dynamical systems, the discretized simulations often have collapsing effects, to a fixed point or to short cycles. Statistical properties of these phenomena can be modelled with random mappings with an absorbing centre. The model gives results which are very much in line with computational experiments. The effects are discussed with special reference to the family of mappings f (x)=1-|1-2x|,x [0,1],1,<,,<,. Computer experiments show close agreement with predictions of the model.     

Gray codes for randomization procedures

We introduce a simple combinatorial scheme for systematically running through a complete enumeration of sample reuse procedures such as the bootstrap, Hartigan's subsets, and various permutation tests. The scheme is based on Gray codes which give tours through various spaces, changing only one or two points at a time. We use updating algorithms to avoid recomputing statistics and achieve substantial speedups. Several practical examples and computer codes are given.     

An efficient algorithm for finding the M most probable configurationsin probabilistic expert systems

A probabilistic expert system provides a graphical representation of a joint probability distribution which enables local computations of probabilities. Dawid (1992) provided a flow- propagation algorithm for finding the most probable configuration of the joint distribution in such a system. This paper analyses that algorithm in detail, and shows how it can be combined with a clever partitioning scheme to formulate an efficient method for finding the M most probable configurations. The algorithm is a divide and conquer technique, that iteratively identifies the M most probable configurations.