We study how the posterior contraction rate under a Gaussian process (GP) prior depends on the intrinsic dimension of the predictors and the smoothness of the regression function. An open question is whether a generic GP prior that does not incorporate knowledge of the intrinsic lower-dimensional structure of the predictors can attain an adaptive rate for a broad class of such structures. We show that this is indeed the case, establishing conditions under which the posterior contraction rates become adaptive to the intrinsic dimension in terms of the covering number of the data domain (the Minkowski dimension) and prove the nonparametric posterior contraction rate, up to a logarithmic factor. When the domain is a compact manifold, we prove the RKHS approximation to intrinsically defined Hölder functions on the manifold of any order of smoothness by a novel analysis, leading to the optimal adaptive posterior contraction rate. We propose an empirical Bayes prior on the kernel bandwidth using kernel affinity and $k$-nearest neighbor statistics, bypassing explicit estimation of the intrinsic dimension. The efficiency of the proposed Bayesian regression approach is demonstrated in various numerical experiments.
Kernel based methods including Gaussian process regression (GPR) and generally kernel ridge regression (KRR) have been finding increasing use in computational chemistry, including the fitting of potential energy surfaces and density functionals in high-dimensional feature spaces. Kernels of the Matern family such as Gaussian-like kernels (basis functions) are often used, which allows imparting them the meaning of covariance functions and formulating GPR as an estimator of the mean of a Gaussian distribution. The notion of locality of the kernel is critical for this interpretation. It is also c…
This paper aims to develop a global perspective of the complexity of the relationship between the standardised per-capita growth rate of Covid-19 cases, deaths, and the OxCGRT Covid-19 Stringency Index, a measure describing a country's stringency of lockdown policies. To achieve our goal, we use a heterogeneous intrinsic dimension estimator implemented as a Bayesian mixture model, called Hidalgo. We identify that the Covid-19 dataset may project onto two low-dimensional manifolds without significant information loss. The low dimensionality suggests strong dependency among the standardised grow…
Gaussian processes are employed for non-parametric regression in a Bayesian setting. They generalize linear regression, embedding the inputs in a latent manifold inside an infinite-dimensional reproducing kernel Hilbert space. We can augment the inputs with the observations of low-fidelity models in order to learn a more expressive latent manifold and thus increment the model's accuracy. This can be realized recursively with a chain of Gaussian processes with incrementally higher fidelity. We would like to extend these multi-fidelity model realizations to case studies affected by a high-dimens…
Occam's razor is a guiding principle that models should be simple enough to describe observed data. While Bayesian model selection (BMS) embodies it by the intrinsic regularization effect (IRE), how observed data scale the IRE has not been fully understood. In the nonlinear regression with conditionally independent observations, we show that the IRE is scaled by observations' fineness, defined by the amount and quality of observed data. We introduce an observable that quantifies the IRE, referred to as the Bayes specific heat, inspired by the correspondence between statistical inference and st…
We present a Bayesian model selection approach to estimate the intrinsic dimensionality of a high-dimensional dataset. To this end, we introduce a novel formulation of the probabilisitic principal component analysis model based on a normal-gamma prior distribution. In this context, we exhibit a closed-form expression of the marginal likelihood which allows to infer an optimal number of components. We also propose a heuristic based on the expected shape of the marginal likelihood curve in order to choose the hyperparameters. In non-asymptotic frameworks, we show on simulated data that this exac…
Intrinsic Gaussian Process Regression Modeling for Manifold-valued Response Variable
International Institute of Finance, School of Management, University of Science and Technology of China（中国科学技术大学管理学院国际金融学院）；Department of Statistics and Data Science, College of Science, Southern University of Science and Technology（南方科技大学理学院统计与数据科学系）
A primary goal of computer experiments is to reconstruct the function given by the computer code via scattered evaluations. Traditional isotropic Gaussian process models suffer from the curse of dimensionality, when the input dimension is relatively high given limited data points. Gaussian process models with additive correlation functions are scalable to dimensionality, but they are more restrictive as they only work for additive functions. In this work, we consider a projection pursuit model, in which the nonparametric part is driven by an additive Gaussian process regression. We choose the …
Ensembles of decision trees are a useful tool for obtaining for obtaining flexible estimates of regression functions. Examples of these methods include gradient boosted decision trees, random forests, and Bayesian CART. Two potential shortcomings of tree ensembles are their lack of smoothness and vulnerability to the curse of dimensionality. We show that these issues can be overcome by instead considering sparsity inducing soft decision trees in which the decisions are treated as probabilistic. We implement this in the context of the Bayesian additive regression trees framework, and illustrate…
This paper considers the problem of nonparametric quantile regression under the assumption that the target conditional quantile function is a composition of a sequence of low-dimensional functions. We study the nonparametric quantile regression estimator using deep neural networks to approximate the target conditional quantile function. For convenience, we shall refer to such an estimator as a deep quantile regression (DQR) estimator. We show that the DQR estimator achieves the nonparametric optimal convergence rate up to a logarithmic factor determined by the intrinsic dimension of the underl…
Cornell University（康奈尔大学）；New York University（纽约大学）
Gaussian processes (GPs) provide flexible distributions over functions, with inductive biases controlled by a kernel. However, in many applications Gaussian processes can struggle with even moderate input dimensionality. Learning a low dimensional projection can help alleviate this curse of dimensionality, but introduces many trainable hyperparameters, which can be cumbersome, especially in the small data regime. We use additive sums of kernels for GP regression, where each kernel operates on a different random projection of its inputs. Surprisingly, we find that as the number of random projec…
Recently, several authors have re-examined the power of the classical F-test in linear regression in a `large-p, large-n' framework (cf. Zhong and Chen (2011), Wang and Cui (2013)). They highlight the loss of power as the number of regressors p increases relative to sample size n. These papers essentially focus only on the overall test of the null hypothesis that all p slope coefficients are equal to zero. Here, we consider the general case of testing q linear hypotheses on the (p+1)-dimensional regression parameter vector that includes p slope coefficients and an intercept parameter. In the c…
Two key challenges in modern statistical applications are the large amount of information recorded per individual, and that such data are often not collected all at once but in batches. These batch effects can be complex, causing distortions in both mean and variance. We propose a novel sparse latent factor regression model to integrate such heterogeneous data. The model provides a tool for data exploration via dimensionality reduction while correcting for a range of batch effects. We study the use of several sparse priors (local and non-local) to learn the dimension of the latent factors. Our…
This book chapter introduces regression approaches and regression adjustment for Approximate Bayesian Computation (ABC). Regression adjustment adjusts parameter values after rejection sampling in order to account for the imperfect match between simulations and observations. Imperfect match between simulations and observations can be more pronounced when there are many summary statistics, a phenomenon coined as the curse of dimensionality. Because of this imperfect match, credibility intervals obtained with regression approaches can be inflated compared to true credibility intervals. The chapte…
High-Dimensional Gaussian Process Regression with Soft Kernel Interpolation
Department of Computing and Mathematical Sciences, California Institute of Technology（计算与数学科学部，加州理工学院）；Department of Computer Science, San Francisco State University（计算机科学部，旧金山州立大学）；Base26, CA, USA
We investigate the statistical dependence of the peak intrinsic colors of Type Ia supernovae (SN Ia) on their expansion velocities at maximum light, measured from the Si II 6355 spectral feature. We construct a new hierarchical Bayesian regression model, accounting for the random effects of intrinsic scatter, measurement error, and reddening by host galaxy dust, and implement a Gibbs sampler and deviance information criteria to estimate the correlation. The method is applied to the apparent colors from BVRI light curves and Si II velocity data for 79 nearby SNe Ia. The apparent color distribut…
Many applications that use empirically estimated functions face a curse of dimensionality, because the integrals over most function classes must be approximated by sampling. This paper introduces a novel regression-algorithm that learns linear factored functions (LFF). This class of functions has structural properties that allow to analytically solve certain integrals and to calculate point-wise products. Applications like belief propagation and reinforcement learning can exploit these properties to break the curse and speed up computation. We derive a regularized greedy optimization scheme, t…
We develop a computational procedure to estimate the covariance hyperparameters for semiparametric Gaussian process regression models with additive noise. Namely, the presented method can be used to efficiently estimate the variance of the correlated error, and the variance of the noise based on maximizing a marginal likelihood function. Our method involves suitably reducing the dimensionality of the hyperparameter space to simplify the estimation procedure to a univariate root-finding problem. Moreover, we derive bounds and asymptotes of the marginal likelihood function and its derivatives, w…
This thesis deals with the nonparametric estimation of density f of the regression error term E of the model Y=m(X)+E, assuming its independence with the covariate X. The difficulty linked to this study is the fact that the regression error E is not observed. In a such setup, it would be unwise, for estimating f, to use a conditional approach based upon the probability distribution function of Y given X. Indeed, this approach is affected by the curse of dimensionality, so that the resulting estimator of the residual term E would have considerably a slow rate of convergence if the dimension of …
University of California, San Diego（加利福尼亚大学圣迭戈分校）；Halıcıǧlu Data Science Institute, University of California San Diego（加利福尼亚大学圣迭戈分校Halıcıǧlu数据科学研究所）；Simula Research Laboratory（Simula研究实验室）
We study the approximation of two-layer compositions $f(x) = g(ϕ(x))$ via deep networks with ReLU activation, where $ϕ$ is a geometrically intuitive, dimensionality reducing feature map. We focus on two intuitive and practically relevant choices for $ϕ$: the projection onto a low-dimensional embedded submanifold and a distance to a collection of low-dimensional sets. We achieve near optimal approximation rates, which depend only on the complexity of the dimensionality reducing map $ϕ$ rather than the ambient dimension. Since $ϕ$ encapsulates all nonlinear features that are material to the func…
Optimal neural network approximation of smooth compositional functions on sets with low intrinsic dimension
Department of Statistics, LMU Munich（慕尼黑大学统计系）；Munich Center for Machine Learning（慕尼黑机器学习中心）；Faculty of Mathematics, Ruhr-Universität Bochum（波鸿鲁尔大学数学学院）
Technische Universität Darmstadt（达姆施塔特工业大学）；Concordia University（康考迪亚大学）
Deep neural networks (DNNs) achieve impressive results for complicated tasks like object detection on images and speech recognition. Motivated by this practical success, there is now a strong interest in showing good theoretical properties of DNNs. To describe for which tasks DNNs perform well and when they fail, it is a key challenge to understand their performance. The aim of this paper is to contribute to the current statistical theory of DNNs. We apply DNNs on high dimensional data and we show that the least squares regression estimates using DNNs are able to achieve dimensionality reducti…
In multivariate regression estimation, the rate of convergence depends on the dimension of the regressor. This fact, known as the curse of the dimensionality, motivated several works. The additive model, introduced by Stone (10), offers an efficient response to this problem. In the setting of continuous time processes, using the marginal integration method, we obtain the quadratic convergence rate and the asymptotic normality of the components of the additive model.
The celebrated Nadaraya-Watson kernel estimator is among the most studied method for nonparametric regression. A classical result is that its rate of convergence depends on the number of covariates and deteriorates quickly as the dimension grows, which underscores the "curse of dimensionality" and has limited its use in high dimensional settings. In this article, we show that when the true regression function is single or multi-index, the effects of the curse of dimensionality may be mitigated for the Nadaraya-Watson kernel estimator. Specifically, we prove that with $K$-fold cross-validation,…
Linear regression is perhaps one of the most popular statistical concepts, which permeates almost every scientific field of study. Due to the technical simplicity and wide applicability of linear regression, attention is almost always quickly directed to the algorithmic or computational side of linear regression. In particular, the underlying mathematics of stochastic linear regression itself as an entity usually gets either a peripheral treatment or a relatively in-depth but ad hoc treatment depending on the type of concerned problems; in other words, compared to the extensiveness of the stud…
We prove statistical rates of convergence for kernel-based least squares regression from i.i.d. data using a conjugate gradient algorithm, where regularization against overfitting is obtained by early stopping. This method is related to Kernel Partial Least Squares, a regression method that combines supervised dimensionality reduction with least squares projection. Following the setting introduced in earlier related literature, we study so-called "fast convergence rates" depending on the regularity of the target regression function (measured by a source condition in terms of the kernel integra…
Despite a substantial literature on nonparametric two-sample goodness-of-fit testing in arbitrary dimensions spanning decades, there is no mention there of any curse of dimensionality. Only more recently Ramdas et al. (2015) have discussed this issue in the context of kernel methods by showing that their performance degrades with the dimension even when the underlying distributions are isotropic Gaussians. We take a minimax perspective and follow in the footsteps of Ingster (1987) to derive the minimax rate in arbitrary dimension when the discrepancy is measured in the L2 metric. That rate is …
We study a dimensionality reduction technique for finite mixtures of high-dimensional multivariate response regression models. Both the dimension of the response and the number of predictors are allowed to exceed the sample size. We consider predictor selection and rank reduction to obtain lower-dimensional approximations. A class of estimators with a fast rate of convergence is introduced. We apply this result to a specific procedure, introduced in [11], where the relevant predictors are selected by the Group-Lasso.
We address the issue of variable selection in the regression model with very high ambient dimension, that is, when the number of variables is very large. The main focus is on the situation where the number of relevant variables, called intrinsic dimension, is much smaller than the ambient dimension d. Without assuming any parametric form of the underlying regression function, we get tight conditions making it possible to consistently estimate the set of relevant variables. These conditions relate the intrinsic dimension to the ambient dimension and to the sample size. The procedure that is pro…
We consider testing the significance of a subset of covariates in a nonparametric regression. These covariates can be continuous and/or discrete. We propose a new kernel-based test that smoothes only over the covariates appearing under the null hypothesis, so that the curse of dimensionality is mitigated. The test statistic is asymptotically pivotal and the rate of which the test detects local alternatives depends only on the dimension of the covariates under the null hypothesis. We show the validity of wild bootstrap for the test. In small samples, our test is competitive compared to existing…
We present a greedy method for simultaneously performing local bandwidth selection and variable selection in nonparametric regression. The method starts with a local linear estimator with large bandwidths, and incrementally decreases the bandwidth of variables for which the gradient of the estimator with respect to bandwidth is large. The method--called rodeo (regularization of derivative expectation operator)--conducts a sequence of hypothesis tests to threshold derivatives, and is easy to implement. Under certain assumptions on the regression function and sampling density, it is shown that t…
We prove rates of convergence in the statistical sense for kernel-based least squares regression using a conjugate gradient algorithm, where regularization against overfitting is obtained by early stopping. This method is directly related to Kernel Partial Least Squares, a regression method that combines supervised dimensionality reduction with least squares projection. The rates depend on two key quantities: first, on the regularity of the target regression function and second, on the intrinsic dimensionality of the data mapped into the kernel space. Lower bounds on attainable rates depending…
We address the issue of variable selection in the regression model with very high ambient dimension, i.e., when the number of covariates is very large. The main focus is on the situation where the number of relevant covariates, called intrinsic dimension, is much smaller than the ambient dimension. Without assuming any parametric form of the underlying regression function, we get tight conditions making it possible to consistently estimate the set of relevant variables. These conditions relate the intrinsic dimension to the ambient dimension and to the sample size. The procedure that is provab…
Models with many signals, high-dimensional models, often impose structures on the signal strengths. The common assumption is that only a few signals are strong and most of the signals are zero or close (collectively) to zero. However, such a requirement might not be valid in many real-life applications. In this article, we are interested in conducting large-scale inference in models that might have signals of mixed strengths. The key challenge is that the signals that are not under testing might be collectively non-negligible (although individually small) and cannot be accurately learned. This…
This is a tutorial and survey paper on various methods for Sufficient Dimension Reduction (SDR). We cover these methods with both statistical high-dimensional regression perspective and machine learning approach for dimensionality reduction. We start with introducing inverse regression methods including Sliced Inverse Regression (SIR), Sliced Average Variance Estimation (SAVE), contour regression, directional regression, Principal Fitted Components (PFC), Likelihood Acquired Direction (LAD), and graphical regression. Then, we introduce forward regression methods including Principal Hessian Dir…
We present a framework for supervised subspace tracking, when there are two time series $x_t$ and $y_t$, one being the high-dimensional predictors and the other being the response variables and the subspace tracking needs to take into consideration of both sequences. It extends the classic online subspace tracking work which can be viewed as tracking of $x_t$ only. Our online sufficient dimensionality reduction (OSDR) is a meta-algorithm that can be applied to various cases including linear regression, logistic regression, multiple linear regression, multinomial logistic regression, support ve…
