The two primary approaches for high-dimensional regression problems are sparse methods (e.g., best subset selection, which uses the L0-norm in the penalty) and ensemble methods (e.g., random forests). Although sparse methods typically yield interpretable models, in terms of prediction accuracy they are often outperformed by "blackbox" multi-model ensemble methods. A regression ensemble is introduced which combines the interpretability of sparse methods with the high prediction accuracy of ensemble methods. An algorithm is proposed to solve the joint optimization of the corresponding L0-penalized regression models by extending recent developments in L0-optimization for sparse methods to multi-model regression ensembles. The sparse and diverse models in the ensemble are learned simultaneously from the data. Each of these models provides an explanation for the relationship between a subset of predictors and the response variable. Empirical studies and theoretical knowledge about ensembles are used to gain insight into the ensemble method's performance, focusing on the interplay between bias, variance, covariance, and variable selection. In prediction tasks, the ensembles can outperform state-of-the-art competitors on both simulated and real data. Forward stepwise regression is also generalized to multi-model regression ensembles and used to obtain an initial solution for the algorithm. The optimization algorithms are implemented in publicly available software packages.
The best subset selection (or "best subsets") estimator is a classic tool for sparse regression, and developments in mathematical optimization over the past decade have made it more computationally tractable than ever. Notwithstanding its desirable statistical properties, the best subsets estimator is susceptible to outliers and can break down in the presence of a single contaminated data point. To address this issue, a robust adaption of best subsets is proposed that is highly resistant to contamination in both the response and the predictors. The adapted estimator generalizes the notion of s…
In high-dimensional statistics, variable selection recovers the latent sparse patterns from all possible covariate combinations. This paper proposes a novel optimization method to solve the exact L0-regularized regression problem, which is also known as the best subset selection. We reformulate the optimization problem from a discrete space to a continuous one via probabilistic reparameterization. The new objective function is differentiable but its gradient often cannot be computed in a closed form. Then we propose a family of unbiased gradient estimators to optimize the best subset selection…
In exciting new work, Bertsimas et al. (2016) showed that the classical best subset selection problem in regression modeling can be formulated as a mixed integer optimization (MIO) problem. Using recent advances in MIO algorithms, they demonstrated that best subset selection can now be solved at much larger problem sizes that what was thought possible in the statistics community. They presented empirical comparisons of best subset selection with other popular variable selection procedures, in particular, the lasso and forward stepwise selection. Surprisingly (to us), their simulations suggeste…
In high-dimensional data settings where $p\gg n$, many penalized regularization approaches were studied for simultaneous variable selection and estimation. However, with the existence of covariates with weak effect, many existing variable selection methods, including Lasso and its generations, cannot distinguish covariates with weak and no contribution. Thus, prediction based on a subset model of selected covariates only can be inefficient. In this paper, we propose a post selection shrinkage estimation strategy to improve the prediction performance of a selected subset model. Such a post sele…
For massive data sets, efficient computation commonly relies on distributed algorithms that store and process subsets of the data on different machines, minimizing communication costs. Our focus is on regression and classification problems involving many features. A variety of distributed algorithms have been proposed in this context, but challenges arise in defining an algorithm with low communication, theoretical guarantees and excellent practical performance in general settings. We propose a MEdian Selection Subset AGgregation Estimator (message) algorithm, which attempts to solve these pro…
We study a seemingly unexpected and relatively less understood overfitting aspect of a fundamental tool in sparse linear modeling - best subset selection, which minimizes the residual sum of squares subject to a constraint on the number of nonzero coefficients. While the best subset selection procedure is often perceived as the "gold standard" in sparse learning when the signal to noise ratio (SNR) is high, its predictive performance deteriorates when the SNR is low. In particular, it is outperformed by continuous shrinkage methods, such as ridge regression and the Lasso. We investigate the be…
Best subset selection (BSS) is widely known as the holy grail for high-dimensional variable selection. Nevertheless, the notorious NP-hardness of BSS substantially restricts its practical application and also discourages its theoretical development to some extent, particularly in the current era of big data. In this paper, we investigate the variable selection properties of BSS when its target sparsity is greater than or equal to the true sparsity. Our main message is that BSS is robust against design dependence in terms of achieving model consistency and sure screening, and more importantly, …
Xi’an Jiaotong University（西安交通大学）；State Key Laboratory of Management and Control for Complex Systems（复杂系统管理与控制国家重点实验室）
Given $m$ $d$-dimensional responsors and $n$ $d$-dimensional predictors, sparse regression finds at most $k$ predictors for each responsor for linear approximation, $1\leq k \leq d-1$. The key problem in sparse regression is subset selection, which usually suffers from high computational cost. Recent years, many improved approximate methods of subset selection have been published. However, less attention has been paid on the non-approximate method of subset selection, which is very necessary for many questions in data analysis. Here we consider sparse regression from the view of correlation, a…
The early solution path, which tracks the first few variables that enter the model of a selection procedure, is of profound importance to scientific discoveries. In practice, it is often statistically hopeless to identify all the important features with no false discovery, let alone the intimidating expense of experiments to test their significance. Such realistic limitation calls for statistical guarantee for the early discoveries of a model selector. In this paper, we focus on the early solution path of best subset selection (BSS), where the sparsity constraint is set to be lower than {the t…
abess: A Fast Best Subset Selection Library in Python and R
Sun Yat-Sen University（中山大学）；University of Science and Technology of China（中国科学技术大学）；Renmin University of China（中国人民大学）；Peking University（北京大学）；National University of Singapore（新加坡国立大学）
Carnegie Mellon University（卡内基梅隆大学）；School of Computer Science（计算机科学学院）；Machine Learning Department（机器学习系）；Forbes Avenue, Pittsburgh, PA 15213, USA（5000 Forbes Avenue, Pittsburgh, PA 15213, USA（地址非机构，此处按要求应忽略，但原文本中该地址与机构关联，需确认））
We consider the problem of matrix column subset selection, which selects a subset of columns from an input matrix such that the input can be well approximated by the span of the selected columns. Column subset selection has been applied to numerous real-world data applications such as population genetics summarization, electronic circuits testing and recommendation systems. In many applications the complete data matrix is unavailable and one needs to select representative columns by inspecting only a small portion of the input matrix. In this paper we propose the first provably correct column …
Dimensionality reduction is a first step of many machine learning pipelines. Two popular approaches are principal component analysis, which projects onto a small number of well chosen but non-interpretable directions, and feature selection, which selects a small number of the original features. Feature selection can be abstracted as a numerical linear algebra problem called the column subset selection problem (CSSP). CSSP corresponds to selecting the best subset of columns of a matrix $X \in \mathbb{R}^{N \times d}$, where \emph{best} is often meant in the sense of minimizing the approximation…
Sparse recovery and subset selection are fundamental problems in varied communities, including signal processing, statistics and machine learning. Herein, we focus on an important greedy algorithm for these problems: Backward Stepwise Regression. We present novel guarantees for the algorithm, propose an efficient, numerically stable implementation, and put forth Stepwise Regression with Replacement (SRR), a new family of two-stage algorithms that employs both forward and backward steps for compressed sensing problems. Prior work on the backward algorithm has proven its optimality for the subse…
We study the problem of choosing the best subset of p features in linear regression given n observations. This problem naturally contains two objective functions including minimizing the amount of bias and minimizing the number of predictors. The existing approaches transform the problem into a single-objective optimization problem. We explain the main weaknesses of existing approaches, and to overcome their drawbacks, we propose a bi-objective mixed integer linear programming approach. A computational study shows the efficacy of the proposed approach.
With the rapid development of quantum computers, quantum algorithms have been studied extensively. However, quantum algorithms tackling statistical problems are still lacking. In this paper, we propose a novel non-oracular quantum adaptive search (QAS) method for the best subset selection problems. QAS performs almost identically to the naive best subset selection method but reduces its computational complexity from $O(D)$ to $O(\sqrt{D}\log_2D)$, where $D=2^p$ is the total number of subsets over $p$ covariates. Unlike existing quantum search algorithms, QAS does not require the oracle informa…
To unbiasedly estimate a causal effect on an outcome unconfoundedness is often assumed. If there is sufficient knowledge on the underlying causal structure then existing confounder selection criteria can be used to select subsets of the observed pretreatment covariates, $X$, sufficient for unconfoundedness, if such subsets exist. Here, estimation of these target subsets is considered when the underlying causal structure is unknown. The proposed method is to model the causal structure by a probabilistic graphical model, e.g., a Markov or Bayesian network, estimate this graph from observed data …
Linear mixed models (LMMs) are instrumental for regression analysis with structured dependence, such as grouped, clustered, or multilevel data. However, selection among the covariates--while accounting for this structured dependence--remains a challenge. We introduce a Bayesian decision analysis for subset selection with LMMs. Using a Mahalanobis loss function that incorporates the structured dependence, we derive optimal linear coefficients for (i) any given subset of variables and (ii) all subsets of variables that satisfy a cardinality constraint. Crucially, these estimates inherit shrinkag…
Rice University（莱斯大学）；Department of Statistics（统计系）
Subset selection is a valuable tool for interpretable learning, scientific discovery, and data compression. However, classical subset selection is often avoided due to selection instability, lack of regularization, and difficulties with post-selection inference. We address these challenges from a Bayesian perspective. Given any Bayesian predictive model $\mathcal{M}$, we extract a family of near-optimal subsets of variables for linear prediction or classification. This strategy deemphasizes the role of a single "best" subset and instead advances the broader perspective that often many subsets …
This research considers the ranking and selection (R&S) problem of selecting the optimal subset from a finite set of alternative designs. Given the total simulation budget constraint, we aim to maximize the probability of correctly selecting the top-m designs. In order to improve the selection efficiency, we incorporate the information from across the domain into regression metamodels. In this research, we assume that the mean performance of each design is approximately quadratic. To achieve a better fit of this model, we divide the solution space into adjacent partitions such that the quadrat…
Best subset selection is considered the `gold standard' for many sparse learning problems. A variety of optimization techniques have been proposed to attack this non-convex and NP-hard problem. In this paper, we investigate the dual forms of a family of $\ell_0$-regularized problems. An efficient primal-dual method has been developed based on the primal and dual problem structures. By leveraging the dual range estimation along with the incremental strategy, our algorithm potentially reduces redundant computation and improves the solutions of best subset selection. Theoretical analysis and expe…
Optimal subset selection is an important task that has numerous algorithms designed for it and has many application areas. STPGA contains a special genetic algorithm supplemented with a tabu memory property (that keeps track of previously tried solutions and their fitness for a number of iterations), and with a regression of the fitness of the solutions on their coding that is used to form the ideal estimated solution (look ahead property) to search for solutions of generic optimal subset selection problems. I have initially developed the programs for the specific problem of selecting training…
University of Tsukuba（筑波大学）；Senshu University（专修大学）；Tokyo University of Agriculture and Technology（东京农工大学）
This paper concerns a method of selecting a subset of features for a sequential logit model. Tanaka and Nakagawa (2014) proposed a mixed integer quadratic optimization formulation for solving the problem based on a quadratic approximation of the logistic loss function. However, since there is a significant gap between the logistic loss function and its quadratic approximation, their formulation may fail to find a good subset of features. To overcome this drawback, we apply a piecewise-linear approximation to the logistic loss function. Accordingly, we frame the feature subset selection problem…
Count data, for example the number of observed cases of a disease in a city, often arise in the fields of healthcare analytics and epidemiology. In this paper, we consider performing regression on multivariate data in which our outcome is a count. Specifically, we derive log-likelihood functions for finite mixtures of regression models involving counts that come from a Poisson distribution, as well as a negative binomial distribution when the counts are significantly overdispersed. Within our proposed modeling framework, we carry out optimal component selection using the information criteria s…
In this article, we propose a new algorithm for supervised learning methods, by which one can both capture the non-linearity in data and also find the best subset model. To produce an enhanced subset of the original variables, an ideal selection method should have the potential of adding a supplementary level of regression analysis that would capture complex relationships in the data via mathematical transformation of the predictors and exploration of synergistic effects of combined variables. The method that we present here has the potential to produce an optimal subset of variables, renderin…
Best-Subset Selection in Generalized Linear Models: A Fast and Consistent Algorithm via Splicing Technique
Saw Swee Hock School of Public Health, National University of Singapore（新加坡国立大学杨潞龄公共卫生学院）；Southern China Center for Statistical Science, Department of Statistical Science, School of Mathematics, Sun Yat-Sen University（中山大学数学学院统计科学系华南统计科学研究中心）；Department of Statistics and Finance/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统计与金融系/国际金融研究院）；School of Statistics and Information, Shanghai University of International Business and Economics（上海对外经贸大学统计与信息学院）
