Adaptive numerical designs for the calibration of computer codes

Making good predictions of a physical system using a computer code requires the inputs to be carefully specified. Some of these inputs called control variables have to reproduce physical conditions whereas other inputs, called parameters, are specific to the computer code and most often uncertain. The goal of statistical calibration consists in estimating these parameters with the help of a statistical model which links the code outputs with the field measurements. In a Bayesian setting, the posterior distribution of these parameters is normally sampled using MCMC methods. However, they are impractical when the code runs are high time-consuming. A way to circumvent this issue consists of replacing the computer code with a Gaussian process emulator, then sampling a cheap-to-evaluate posterior distribution based on it. Doing so, calibration is subject to an error which strongly depends on the numerical design of experiments used to fit the emulator. We aim at reducing this error by building a proper sequential design by means of the Expected Improvement criterion. Numerical illustrations in several dimensions assess the efficiency of such sequential strategies

Surrogate time series

Before we apply nonlinear techniques, for example those inspired by chaos theory, to dynamical phenomena occurring in nature, it is necessary to first ask if the use of such advanced techniques is justified "by the data". While many processes in nature seem very unlikely a priori to be linear, the possible nonlinear nature might not be evident in specific aspects of their dynamics. The method of surrogate data has become a very popular tool to address such a question. However, while it was meant to provide a statistically rigorous, foolproof framework, some limitations and caveats have shown up in its practical use. In this paper, recent efforts to understand the caveats, avoid the pitfalls, and to overcome some of the limitations, are reviewed and augmented by new material. In particular, we will discuss specific as well as more general approaches to constrained randomisation, providing a full range of examples. New algorithms will be introduced for unevenly sampled and multivariate data and for surrogate spike trains. The main limitation, which lies in the interpretability of the test results, will be illustrated through instructive case studies. We will also discuss some implementational aspects of the realisation of these methods in the TISEAN (http://www.mpipks-dresden.mpg.de/~tisean) software package.Comment: 28 pages, 23 figures, software at http://www.mpipks-dresden.mpg.de/~tisea

Boosting Functional Response Models for Location, Scale and Shape with an Application to Bacterial Competition

We extend Generalized Additive Models for Location, Scale, and Shape (GAMLSS) to regression with functional response. This allows us to simultaneously model point-wise mean curves, variances and other distributional parameters of the response in dependence of various scalar and functional covariate effects. In addition, the scope of distributions is extended beyond exponential families. The model is fitted via gradient boosting, which offers inherent model selection and is shown to be suitable for both complex model structures and highly auto-correlated response curves. This enables us to analyze bacterial growth in \textit{Escherichia coli} in a complex interaction scenario, fruitfully extending usual growth models.Comment: bootstrap confidence interval type uncertainty bounds added; minor changes in formulation