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François Bachoc

Publications and source records attributed to François Bachoc.

At least 55 records · Page 3Linked to original sources

Properties and comparison of some Kriging sub-model aggregation methods

Kriging is a widely employed technique, in particular for computer experiments, in machine learning or in geostatistics. An important challenge for Kriging is the computational burden when the data set is large. This article focuses on a class of methods aiming at decreasing this computational cost, consisting in aggregating Kriging predictors based on smaller data subsets. It proves that aggregation methods that ignore the covariancebetween sub-models can yield an inconsistent final Kriging prediction. In contrast, a theoretical study of the nested Kriging method shows additional attractive properties for it: First, this predictor is consistent, second it can be interpreted as an exact conditional distribution for a modified process and third, the conditional covariances given the observations can be computed efficiently. This article also includes a theoretical and numerical analysis of how the assignment of the observation points to the sub-models can affect the prediction ability of the aggregated model. Finally, the nested Kriging method is extended to measurement errors and to universal Kriging.

math.ST↗

The sample complexity of level set approximation

We study the problem of approximating the level set of an unknown function by sequentially querying its values. We introduce a family of algorithms called Bisect and Approximate through which we reduce the level set approximation problem to a local function approximation problem. We then show how this approach leads to rate-optimal sample complexity guarantees for H{ö}lder functions, and we investigate how such rates improve when additional smoothness or other structural assumptions hold true.

math.ST↗

Sequential Design of Mixture Experiments with an Empirically Determined Input Domain and an Application to Burn-up Credit Penalization of Nuclear Fuel Rods

This paper proposes a sequential design for maximizing a stochastic computer simulator output, y(x), over an unknown optimization domain. The training data used to estimate the optimization domain are a set of (historical) inputs, often from a physical system modeled by the simulator. Two methods are provided for estimating the simulator input domain. An extension of the well-known efficient global optimization algorithm is presented to maximize y(x). The domain estimation/maximization procedure is applied to two readily understood analytic examples. It is also used to solve a problem in nuclear safety by maximizing the k-effective "criticality coefficient" of spent fuel rods, considered as one-dimensional heterogeneous fissile media. One of the two domain estimation methods relies on expertise-type constraints. We show that these constraints, initially chosen to address the spent fuel rod example, are robust in that they also lead to good results in the second analytic optimization example. Of course, in other applications, it could be necessary to design alternative constraints that are more suitable for these applications.

stat.ME↗

Asymptotic analysis of maximum likelihood estimation of covariance parameters for Gaussian processes: an introduction with proofs

This article provides an introduction to the asymptotic analysis of covariance parameter estimation for Gaussian processes. Maximum likelihood estimation is considered. The aim of this introduction is to be accessible to a wide audience and to present some existing results and proof techniques from the literature. The increasing-domain and fixed-domain asymptotic settings are considered. Under increasing-domain asymptotics, it is shown that in general all the components of the covariance parameter can be estimated consistently by maximum likelihood and that asymptotic normality holds. In contrast, under fixed-domain asymptotics, only some components of the covariance parameter, constituting the microergodic parameter, can be estimated consistently. Under fixed-domain asymptotics, the special case of the family of isotropic Matérn covariance functions is considered. It is shown that only a combination of the variance and spatial scale parameter is microergodic. A consistency and asymptotic normality proof is sketched for maximum likelihood estimators.

math.ST↗

Asymptotically Equivalent Prediction in Multivariate Geostatistics

Cokriging is the common method of spatial interpolation (best linear unbiased prediction) in multivariate geostatistics. While best linear prediction has been well understood in univariate spatial statistics, the literature for the multivariate case has been elusive so far. The new challenges provided by modern spatial datasets, being typically multivariate, call for a deeper study of cokriging. In particular, we deal with the problem of misspecified cokriging prediction within the framework of fixed domain asymptotics. Specifically, we provide conditions for equivalence of measures associated with multivariate Gaussian random fields, with index set in a compact set of a d-dimensional Euclidean space. Such conditions have been elusive for over about 50 years of spatial statistics. We then focus on the multivariate Matérn and Generalized Wendland classes of matrix valued covariance functions, that have been very popular for having parameters that are crucial to spatial interpolation, and that control the mean square differentiability of the associated Gaussian process. We provide sufficient conditions, for equivalence of Gaussian measures, relying on the covariance parameters of these two classes. This enables to identify the parameters that are crucial to asymptotically equivalent interpolation in multivariate geostatistics. Our findings are then illustrated through simulation studies.

math.ST↗

Gaussian linear approximation for the estimation of the Shapley effects

In this paper, we address the estimation of the sensitivity indices called "Shapley eects". These sensitivity indices enable to handle dependent input variables. The Shapley eects are generally dicult to estimate, but they are easily computable in the Gaussian linear framework. The aim of this work is to use the values of the Shapley eects in an approximated Gaussian linear framework as estimators of the true Shapley eects corresponding to a non-linear model. First, we assume that the input variables are Gaussian with small variances. We provide rates of convergence of the estimated Shapley eects to the true Shapley eects. Then, we focus on the case where the inputs are given by an non-Gaussian empirical mean. We prove that, under some mild assumptions, when the number of terms in the empirical mean increases, the dierence between the true Shapley eects and the estimated Shapley eects given by the Gaussian linear approximation converges to 0. Our theoretical results are supported by numerical studies, showing that the Gaussian linear approximation is accurate and enables to decrease the computational time signicantly.

math.ST↗

Rate of convergence for geometric inference based on the empirical Christoffel function

We consider the problem of estimating the support of a measure from a finite, independent, sample. The estimators which are considered are constructed based on the empirical Christoffel function. Such estimators have been proposed for the problem of set estimation with heuristic justifications. We carry out a detailed finite sample analysis, that allows us to select the threshold and degree parameters as a function of the sample size. We provide a convergence rate analysis of the resulting support estimation procedure. Our analysis establishes that we may obtain finite sample bounds which are comparable to existing rates for different set estimation procedures. Our results rely on concentration inequalities for the empirical Christoffel function and on estimates of the supremum of the Christoffel-Darboux kernel on sets with smooth boundaries, that can be considered of independent interest.

math.ST↗

Gaussian Processes indexed on the symmetric group: prediction and learning

In the framework of the supervised learning of a real function defined on a space X , the so called Kriging method stands on a real Gaussian field defined on X. The Euclidean case is well known and has been widely studied. In this paper, we explore the less classical case where X is the non commutative finite group of permutations. In this setting, we propose and study an harmonic analysis of the covariance operators that enables to consider Gaussian processes models and forecasting issues. Our theory is motivated by statistical ranking problems.

stat.ML↗

Variance reduction for estimation of Shapley effects and adaptation to unknown input distribution

The Shapley effects are global sensitivity indices: they quantify the impact of each input variable on the output variable in a model. In this work, we suggest new estimators of these sensitivity indices. When the input distribution is known, we investigate the already existing estimator and suggest a new one with a lower variance. Then, when the distribution of the inputs is unknown, we extend these estimators. Finally, we provide asymptotic properties of the estimators studied in this article.

math.ST↗

Block-diagonal covariance estimation and application to the Shapley effects in sensitivity analysis

In this paper, we aim to estimate block-diagonal covariance matrices for Gaussian data in high dimension and in fixed dimension. We first estimate the block-diagonal structure of the covariance matrix by theoretical and practical estimators which are consistent. We deduce that the suggested estimator of the covariance matrix in high dimension converges with the same rate than if the true decomposition was known. In fixed dimension , we prove that the suggested estimator is asymptotically efficient. Then, we focus on the estimation of sensitivity indices called "Shapley effects", in the high-dimensional Gaussian linear framework. From the estimated covariance matrix, we obtain an estimator of the Shapley effects with a relative error which goes to zero at the parametric rate up to a logarithm factor. Using the block-diagonal structure of the estimated covariance matrix, this estimator is still available for thousands inputs variables, as long as the maximal block is not too large.

math.ST↗

Semi-parametric estimation of the variogram of a Gaussian process with stationary increments

We consider the semi-parametric estimation of a scale parameter of a one-dimensional Gaussian process with known smoothness. We suggest an estimator based on quadratic variations and on the moment method. We provide asymptotic approximations of the mean and variance of this estimator, together with asymptotic normality results, for a large class of Gaussian processes. We allow for general mean functions and study the aggregation of several estimators based on various variation sequences. In extensive simulation studies, we show that the asymptotic results accurately depict thefinite-sample situations already for small to moderate sample sizes. We also compare various variation sequences and highlight the efficiency of the aggregation procedure.

math.ST↗

Asymptotic properties of the maximum likelihood and cross validation estimators for transformed Gaussian processes

The asymptotic analysis of covariance parameter estimation of Gaussian processes has been subject to intensive investigation. However, this asymptotic analysis is very scarce for non-Gaussian processes. In this paper, we study a class of non-Gaussian processes obtained by regular non-linear transformations of Gaussian processes. We provide the increasing-domain asymptotic properties of the (Gaussian) maximum likelihood and cross validation estimators of the covariance parameters of a non-Gaussian process of this class. We show that these estimators are consistent and asymptotically normal, although they are defined as if the process was Gaussian. They do not need to model or estimate the non-linear transformation. Our results can thus be interpreted as a robustness of (Gaussian) maximum likelihood and cross validation towards non-Gaussianity. Our proofs rely on two technical results that are of independent interest for the increasing-domain asymptotic literature of spatial processes. First, we show that, under mild assumptions, coefficients of inverses of large covariance matrices decay at an inverse polynomial rate as a function of the corresponding observation location distances. Second, we provide a general central limit theorem for quadratic forms obtained from transformed Gaussian processes. Finally, our asymptotic results are illustrated by numerical simulations.

math.ST↗

Spatial Blind Source Separation

Recently a blind source separation model was suggested for spatial data together with an estimator based on the simultaneous diagonalisation of two scatter matrices. The asymptotic properties of this estimator are derived here and a new estimator, based on the joint diagonalisation of more than two scatter matrices, is proposed. The asymptotic properties and merits of the novel estimator are verified in simulation studies. A real data example illustrates the method.

math.ST↗

Maximum likelihood estimation for Gaussian processes under inequality constraints

We consider covariance parameter estimation for a Gaussian process under inequality constraints (boundedness, monotonicity or convexity) in fixed-domain asymptotics. We address the estimation of the variance parameter and the estimation of the microergodic parameter of the Matérn and Wendland covariance functions. First, we show that the (unconstrained) maximum likelihood estimator has the same asymptotic distribution, unconditionally and conditionally to the fact that the Gaussian process satisfies the inequality constraints. Then, we study the recently suggested constrained maximum likelihood estimator. We show that it has the same asymptotic distribution as the (unconstrained) maximum likelihood estimator. In addition, we show in simulations that the constrained maximum likelihood estimator is generally more accurate on finite samples. Finally, we provide extensions to prediction and to noisy observations.

math.ST↗

Composite likelihood estimation for a gaussian process under fixed domain asymptotics

We study the problem of estimating the covariance parameters of a one-dimensional Gaussian process with exponential covariance function under fixed-domain asymptotics. We show that the weighted pairwise maximum likelihood estimator of the microergodic parameter can be consistent or inconsistent. This depends on the range of admissible parameter values in the likelihood optimization. On the other hand, the weighted pairwise conditional maximum likelihood estimator is always consistent. Both estimators are also asymptotically Gaussian when they are consistent. Their asymptotic variances are larger or strictly larger than that of the maximum likelihood estimator. A simulation study is presented in order to compare the finite sample behavior of the pairwise likelihood estimators with their asymptotic distributions. For more general covariance functions, an additional inconsistency result is provided, for the weighted pairwise maximum likelihood estimator of a variance parameter.

math.ST↗

Approximating Gaussian Process Emulators with Linear Inequality Constraints and Noisy Observations via MC and MCMC

Adding inequality constraints (e.g. boundedness, monotonicity, convexity) into Gaussian processes (GPs) can lead to more realistic stochastic emulators. Due to the truncated Gaussianity of the posterior, its distribution has to be approximated. In this work, we consider Monte Carlo (MC) and Markov Chain Monte Carlo (MCMC) methods. However, strictly interpolating the observations may entail expensive computations due to highly restrictive sample spaces. Furthermore, having (constrained) GP emulators when data are actually noisy is also of interest for real-world implementations. Hence, we introduce a noise term for the relaxation of the interpolation conditions, and we develop the corresponding approximation of GP emulators under linear inequality constraints. We show with various toy examples that the performance of MC and MCMC samplers improves when considering noisy observations. Finally, on 2D and 5D coastal flooding applications, we show that more flexible and realistic GP implementations can be obtained by considering noise effects and by enforcing the (linear) inequality constraints.

stat.ML↗

Sensitivity indices for independent groups of variables

In this paper, we study sensitivity indices for independent groups of variables and we look at the particular case of block-additive models. We show in this case that most of the Sobol indices are equal to zero and that Shapley effects can be estimated more efficiently. We then apply this study to Gaussian linear models, and we provide an efficient algorithm to compute the theoretical sensitivity indices. In numerical experiments, we show that this algorithm compares favourably to other existing methods. We also use the theoretical results to improve the estimation of the Shapley effects for general models, when the inputs form independent groups of variables.

math.ST↗

On the Post Selection Inference constant under Restricted Isometry Properties

Uniformly valid confidence intervals post model selection in regression can be constructed based on Post-Selection Inference (PoSI) constants. PoSI constants are minimal for orthogonal design matrices, and can be upper bounded in function of the sparsity of the set of models under consideration, for generic design matrices. In order to improve on these generic sparse upper bounds, we consider design matrices satisfying a Restricted Isometry Property (RIP) condition. We provide a new upper bound on the PoSI constant in this setting. This upper bound is an explicit function of the RIP constant of the design matrix, thereby giving an interpolation between the orthogonal setting and the generic sparse setting. We show that this upper bound is asymptotically optimal in many settings by constructing a matching lower bound.

math.ST↗