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 dimension of the additive function higher than the original input dimension, and call this strategy "dimension expansion". We show that dimension expansion can help approximate more complex functions. A gradient descent algorithm is proposed for model training based on the maximum likelihood estimation. Simulation studies show that the proposed method outperforms the traditional Gaussian process models. The Supplementary Materials are available online.
In projection pursuit regression (PPR), an unknown response function is approximated by the sum of M "ridge functions," which are flexible functions of one-dimensional projections of a multivariate input space. Traditionally, optimization routines are used to estimate the projection directions and ridge functions via a sequential algorithm, and M is typically chosen via cross-validation. We introduce the first Bayesian version of PPR, which has the benefit of accurate uncertainty quantification. To learn the projection directions and ridge functions, we apply novel adaptations of methods used …
In this work, we propose a new Bayesian spatial homogeneity pursuit method for survival data under the proportional hazards model to detect spatially clustered patterns in baseline hazard and regression coefficients. Specially, regression coefficients and baseline hazard are assumed to have spatial homogeneity pattern over space. To capture such homogeneity, we develop a geographically weighted Chinese restaurant process prior to simultaneously estimate coefficients and baseline hazards and their uncertainty measures. An efficient Markov chain Monte Carlo (MCMC) algorithm is designed for our p…
Fudan University（复旦大学）；University of Texas at Dallas（德克萨斯大学达拉斯分校）
Pareto Front (PF) modeling is essential in decision making problems across all domains such as economics, medicine or engineering. In Operation Research literature, this task has been addressed based on multi-objective optimization algorithms. However, without learning models for PF, these methods cannot examine whether a new provided point locates on PF or not. In this paper, we reconsider the task from Data Mining perspective. A novel projection based active Gaussian process regression (P- aGPR) method is proposed for efficient PF modeling. First, P- aGPR chooses a series of projection space…
Sparse Bayesian Learning (SBL) is a powerful framework for attaining sparsity in probabilistic models. Herein, we propose a coordinate ascent algorithm for SBL termed Relevance Matching Pursuit (RMP) and show that, as its noise variance parameter goes to zero, RMP exhibits a surprising connection to Stepwise Regression. Further, we derive novel guarantees for Stepwise Regression algorithms, which also shed light on RMP. Our guarantees for Forward Regression improve on deterministic and probabilistic results for Orthogonal Matching Pursuit with noise. Our analysis of Backward Regression on dete…
This paper presents a new variable selection approach integrated with Gaussian process (GP) regression. We consider a sparse projection of input variables and a general stationary covariance model that depends on the Euclidean distance between the projected features. The sparse projection matrix is considered as an unknown parameter. We propose a forward stagewise approach with embedded gradient descent steps to co-optimize the parameter with other covariance parameters based on the maximization of a non-convex marginal likelihood function with a concave sparsity penalty, and some convergence …
Spatial point pattern data are routinely encountered. A flexible regression model for the underlying intensity is essential to characterizing the spatial point pattern and understanding the impacts of potential risk factors on such pattern. We propose a Bayesian semiparametric regression model where the observed spatial points follow a spatial Poisson process with an intensity function which adjusts a nonparametric baseline intensity with multiplicative covariate effects. The baseline intensity is piecewise constant, approached with a powered Chinese restaurant process prior which prevents an …
Product models of low dimensional experts are a powerful way to avoid the curse of dimensionality. We present the ``under-complete product of experts' (UPoE), where each expert models a one dimensional projection of the data. The UPoE is fully tractable and may be interpreted as a parametric probabilistic model for projection pursuit. Its ML learning rules are identical to the approximate learning rules proposed before for under-complete ICA. We also derive an efficient sequential learning algorithm and discuss its relationship to projection pursuit density estimation and feature induction alg…
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…
This paper presents a new ensemble learning method for classification problems called projection pursuit random forest (PPF). PPF uses the PPtree algorithm introduced in Lee et al. (2013). In PPF, trees are constructed by splitting on linear combinations of randomly chosen variables. Projection pursuit is used to choose a projection of the variables that best separates the classes. Utilizing linear combinations of variables to separate classes takes the correlation between variables into account which allows PPF to outperform a traditional random forest when separations between groups occurs i…
Exact Gaussian Process (GP) regression has O(N^3) runtime for data size N, making it intractable for large N. Many algorithms for improving GP scaling approximate the covariance with lower rank matrices. Other work has exploited structure inherent in particular covariance functions, including GPs with implied Markov structure, and equispaced inputs (both enable O(N) runtime). However, these GP advances have not been extended to the multidimensional input setting, despite the preponderance of multidimensional applications. This paper introduces and tests novel extensions of structured GPs to mu…
We study the problem of determining the optimal low dimensional projection for maximising the separability of a binary partition of an unlabelled dataset, as measured by spectral graph theory. This is achieved by finding projections which minimise the second eigenvalue of the graph Laplacian of the projected data, which corresponds to a non-convex, non-smooth optimisation problem. We show that the optimal univariate projection based on spectral connectivity converges to the vector normal to the maximum margin hyperplane through the data, as the scaling parameter is reduced to zero. This establ…
We consider the general dimensionality reduction problem of locating in a high-dimensional data cloud, a $k$-dimensional non-Gaussian subspace of interesting features. We use a projection pursuit approach -- we search for mutually orthogonal unit directions which maximise the 2-Wasserstein distance of the empirical distribution of data-projections along these directions from a standard Gaussian. Under a generative model, where there is a underlying (unknown) low-dimensional non-Gaussian subspace, we prove rigorous statistical guarantees on the accuracy of approximating this unknown subspace by…
The independent component model is a latent variable model where the components of the observed random vector are linear combinations of latent independent variables. The aim is to find an estimate for a transformation matrix back to independent components. In moment-based approaches third cumulants are often neglected in favor of fourth cumulants, even though both approaches have similar appealing properties. This paper considers the joint use of third and fourth cumulants in finding independent components. First, univariate cumulants are used as projection indices in search for independent c…
Shape constrained regression analysis has applications in dose-response modeling, environmental risk assessment, disease screening and many other areas. Incorporating the shape constraints can improve estimation efficiency and avoid implausible results. We propose two novel methods focusing on Bayesian monotone curve and surface estimation using Gaussian process projections. The first projects samples from an unconstrained prior, while the second projects samples from the Gaussian process posterior. Theory is developed on continuity of the projection, posterior consistency and rates of contrac…
In this paper, we explore the limitations of PCA as a dimension reduction technique and study its extension, projection pursuit (PP), which is a broad class of linear dimension reduction methods. We first discuss the relevant concepts and theorems and then apply PCA and PP (with negative standardized Shannon's entropy as the projection index) on single cell RNA sequencing data.
This article deals with random projections applied as a data reduction technique for Bayesian regression analysis. We show sufficient conditions under which the entire $d$-dimensional distribution is approximately preserved under random projections by reducing the number of data points from $n$ to $k\in O(\operatorname{poly}(d/\varepsilon))$ in the case $n\gg d$. Under mild assumptions, we prove that evaluating a Gaussian likelihood function based on the projected data instead of the original data yields a $(1+O(\varepsilon))$-approximation in terms of the $\ell_2$ Wasserstein distance. Our ma…
A local projection model is defined by a set of linear regressions that account for the associations between exogenous variables and an endogenous variable observed at different time points. While it is standard practice to separately estimate individual regressions using the ordinary least squares estimator, some recent studies treat a local projection model as a multivariate regression with correlated errors, i.e., seemingly unrelated regressions, and propose Bayesian and non-Bayesian methods to improve the estimation accuracy. However, it is not clear how and when this way of treatment of l…
Examples with bound information on the regression function and density abound in many real applications. We propose a novel approach for estimating such functions by incorporating the prior knowledge on the bounds. Specially, a Gaussian process is first imposed on the regression function whose posterior distribution is then projected onto the bounded space. The resulting projected measure is then used for inference. The projected sample path has closed form which facilitates efficient computations. In particular, our projection approach maintains a comparable computational efficiency with that…
We propose a projection pursuit (PP) algorithm based on Gaussian mixture models (GMMs). The negentropy obtained from a multivariate density estimated by GMMs is adopted as the PP index to be maximised. For a fixed dimension of the projection subspace, the GMM-based density estimation is projected onto that subspace, where an approximation of the negentropy for Gaussian mixtures is computed. Then, Genetic Algorithms (GAs) are used to find the optimal, orthogonal projection basis by maximising the former approximation. We show that this semi-parametric approach to PP is flexible and allows highl…
This paper studies the estimation of large-scale optimal transport maps (OTM), which is a well-known challenging problem owing to the curse of dimensionality. Existing literature approximates the large-scale OTM by a series of one-dimensional OTM problems through iterative random projection. Such methods, however, suffer from slow or none convergence in practice due to the nature of randomly selected projection directions. Instead, we propose an estimation method of large-scale OTM by combining the idea of projection pursuit regression and sufficient dimension reduction. The proposed method, n…
In this paper, we propose a new algorithm for exploratory projection pursuit. The basis of the algorithm is the insight that previous approaches used fairly narrow definitions of interestingness / non interestingness. We argue that allowing these definitions to depend on the problem / data at hand is a more natural approach in an exploratory technique. This also allows our technique much greater applicability than the approaches extant in the literature. Complementing this insight, we propose a class of projection indices based on the spatial distribution function that can make use of such inf…
In this paper, auto-associative models are proposed as candidates to the generalization of Principal Component Analysis. We show that these models are dedicated to the approximation of the dataset by a manifold. Here, the word "manifold" refers to the topology properties of the structure. The approximating manifold is built by a projection pursuit algorithm. At each step of the algorithm, the dimension of the manifold is incremented. Some theoretical properties are provided. In particular, we can show that, at each step of the algorithm, the mean residuals norm is not increased. Moreover, it i…
University of North Carolina Charlotte（北卡罗来纳大学夏洛特分校）
The effect of bias on hypothesis formation is characterized for an automated data-driven projection pursuit neural network to extract and select features for binary classification of data streams. This intelligent exploratory process partitions a complete vector state space into disjoint subspaces to create working hypotheses quantified by similarities and differences observed between two groups of labeled data streams. Data streams are typically time sequenced, and may exhibit complex spatio-temporal patterns. For example, given atomic trajectories from molecular dynamics simulation, the mach…
We propose a novel application of the Simultaneous Orthogonal Matching Pursuit (S-OMP) procedure for sparsistant variable selection in ultra-high dimensional multi-task regression problems. Screening of variables, as introduced in \cite{fan08sis}, is an efficient and highly scalable way to remove many irrelevant variables from the set of all variables, while retaining all the relevant variables. S-OMP can be applied to problems with hundreds of thousands of variables and once the number of variables is reduced to a manageable size, a more computationally demanding procedure can be used to iden…
Feature interactions can contribute to a large proportion of variation in many prediction models. In the era of big data, the coexistence of high dimensionality in both responses and covariates poses unprecedented challenges in identifying important interactions. In this paper, we suggest a two-stage interaction identification method, called the interaction pursuit via distance correlation (IPDC), in the setting of high-dimensional multi-response interaction models that exploits feature screening applied to transformed variables with distance correlation followed by feature selection. Such a p…
This paper considers a recently emerged hyperspectral unmixing formulation based on sparse regression of a self-dictionary multiple measurement vector (SD-MMV) model, wherein the measured hyperspectral pixels are used as the dictionary. Operating under the pure pixel assumption, this SD-MMV formalism is special in that it allows simultaneous identification of the endmember spectral signatures and the number of endmembers. Previous SD-MMV studies mainly focus on convex relaxations. In this study, we explore the alternative of greedy pursuit, which generally provides efficient and simple algorit…
This article develops a framework for testing general hypothesis in high-dimensional models where the number of variables may far exceed the number of observations. Existing literature has considered less than a handful of hypotheses, such as testing individual coordinates of the model parameter. However, the problem of testing general and complex hypotheses remains widely open. We propose a new inference method developed around the hypothesis adaptive projection pursuit framework, which solves the testing problems in the most general case. The proposed inference is centered around a new class…
Inria（法国国家信息与自动化研究所）；Ecole Normale Supérieure（巴黎高等师范学院）；PSL Research University（巴黎文理研究大学）
We consider linear regression problems with a varying number of random projections, where we provably exhibit a double descent curve for a fixed prediction problem, with a high-dimensional analysis based on random matrix theory. We first consider the ridge regression estimator and review earlier results using classical notions from non-parametric statistics, namely degrees of freedom, also known as effective dimensionality. We then compute asymptotic equivalents of the generalization performance (in terms of squared bias and variance) of the minimum norm least-squares fit with random projectio…
The Netherlands Organization for Applied Scientific Research（荷兰应用科学研究组织）；Radboud University Nijmegen（奈梅亨拉德堡德大学）
We propose a novel sparse preference learning/ranking algorithm. Our algorithm approximates the true utility function by a weighted sum of basis functions using the squared loss on pairs of data points, and is a generalization of the kernel matching pursuit method. It can operate both in a supervised and a semi-supervised setting and allows efficient search for multiple, near-optimal solutions. Furthermore, we describe the extension of the algorithm suitable for combined ranking and regression tasks. In our experiments we demonstrate that the proposed algorithm outperforms several state-of-the…
We consider high dimensional sparse regression, and develop strategies able to deal with arbitrary -- possibly, severe or coordinated -- errors in the covariance matrix $X$. These may come from corrupted data, persistent experimental errors, or malicious respondents in surveys/recommender systems, etc. Such non-stochastic error-in-variables problems are notoriously difficult to treat, and as we demonstrate, the problem is particularly pronounced in high-dimensional settings where the primary goal is {\em support recovery} of the sparse regressor. We develop algorithms for support recovery in s…
Jheronimus Academy of Data Science（杰罗尼莫斯数据科学学院）；Eindhoven University（埃因霍温大学）；Ferdowsi University of Mashhad（马什哈德 Ferdowsi 大学）
$\ell_1$ regularization has been used for logistic regression to circumvent the overfitting and use the estimated sparse coefficient for feature selection. However, the challenge of such a regularization is that the $\ell_1$ norm is not differentiable, making the standard algorithms for convex optimization not applicable to this problem. This paper presents a simple projection neural network for $\ell_1$-regularized logistics regression. In contrast to many available solvers in the literature, the proposed neural network does not require any extra auxiliary variable nor any smooth approximatio…
Many models for sparse regression typically assume that the covariates are known completely, and without noise. Particularly in high-dimensional applications, this is often not the case. This paper develops efficient OMP-like algorithms to deal with precisely this setting. Our algorithms are as efficient as OMP, and improve on the best-known results for missing and noisy data in regression, both in the high-dimensional setting where we seek to recover a sparse vector from only a few measurements, and in the classical low-dimensional setting where we recover an unstructured regressor. In the hi…
In many applications of supervised learning, multiple classification or regression outputs have to be predicted jointly. We consider several extensions of gradient boosting to address such problems. We first propose a straightforward adaptation of gradient boosting exploiting multiple output regression trees as base learners. We then argue that this method is only expected to be optimal when the outputs are fully correlated, as it forces the partitioning induced by the tree base learners to be shared by all outputs. We then propose a novel extension of gradient tree boosting to specifically ad…
We propose LOCO, an algorithm for large-scale ridge regression which distributes the features across workers on a cluster. Important dependencies between variables are preserved using structured random projections which are cheap to compute and must only be communicated once. We show that LOCO obtains a solution which is close to the exact ridge regression solution in the fixed design setting. We verify this experimentally in a simulation study as well as an application to climate prediction. Furthermore, we show that LOCO achieves significant speedups compared with a state-of-the-art distribu…
Stanford University（斯坦福大学）；MIT（麻省理工学院）；Microsoft Research, New England（新英格兰微软研究院）
We show how to efficiently project a vector onto the top principal components of a matrix, without explicitly computing these components. Specifically, we introduce an iterative algorithm that provably computes the projection using few calls to any black-box routine for ridge regression. By avoiding explicit principal component analysis (PCA), our algorithm is the first with no runtime dependence on the number of top principal components. We show that it can be used to give a fast iterative method for the popular principal component regression problem, giving the first major runtime improvemen…
Principal Components Regression (PCR) is a traditional tool for dimension reduction in linear regression that has been both criticized and defended. One concern about PCR is that obtaining the leading principal components tends to be computationally demanding for large data sets. While random projections do not possess the optimality properties of the leading principal subspace, they are computationally appealing and hence have become increasingly popular in recent years. In this paper, we present an analysis showing that for random projections satisfying a Johnson-Lindenstrauss embedding prop…
This paper deals with sparse feature selection and grouping for classification and regression. The classification or regression problems under consideration consists in minimizing a convex empirical risk function subject to an $\ell^1$ constraint, a pairwise $\ell^\infty$ constraint, or a pairwise $\ell^1$ constraint. Existing work, such as the Lasso formulation, has focused mainly on Lagrangian penalty approximations, which often require ad hoc or computationally expensive procedures to determine the penalization parameter. We depart from this approach and address the constrained problem dire…
Data privacy is an important concern in machine learning, and is fundamentally at odds with the task of training useful learning models, which typically require the acquisition of large amounts of private user data. One possible way of fulfilling the machine learning task while preserving user privacy is to train the model on a transformed, noisy version of the data, which does not reveal the data itself directly to the training procedure. In this work, we analyze the privacy-utility trade-off of two such schemes for the problem of linear regression: additive noise, and random projections. In …
Non-Gaussian component analysis (NGCA) is a problem in multidimensional data analysis which, since its formulation in 2006, has attracted considerable attention in statistics and machine learning. In this problem, we have a random variable $X$ in $n$-dimensional Euclidean space. There is an unknown subspace $Γ$ of the $n$-dimensional Euclidean space such that the orthogonal projection of $X$ onto $Γ$ is standard multidimensional Gaussian and the orthogonal projection of $X$ onto $Γ^{\perp}$, the orthogonal complement of $Γ$, is non-Gaussian, in the sense that all its one-dimensional marginals …
