We consider the problem of high-dimensional non-linear variable selection for supervised learning. Our approach is based on performing linear selection among exponentially many appropriately defined positive definite kernels that characterize non-linear interactions between the original variables. To select efficiently from these many kernels, we use the natural hierarchical structure of the problem to extend the multiple kernel learning framework to kernels that can be embedded in a directed acyclic graph; we show that it is then possible to perform kernel selection through a graph-adapted sparsity-inducing norm, in polynomial time in the number of selected kernels. Moreover, we study the consistency of variable selection in high-dimensional settings, showing that under certain assumptions, our regularization framework allows a number of irrelevant variables which is exponential in the number of observations. Our simulations on synthetic datasets and datasets from the UCI repository show state-of-the-art predictive performance for non-linear regression problems.
RIKEN（理化学研究所）；Nagoya Institute of Technology（名古屋工业大学）；Nagoya University（名古屋大学）；Tokyo Institute of Technology（东京工业大学）
In this paper, we propose a variable selection method for general nonparametric kernel-based estimation. The proposed method consists of two-stage estimation: (1) construct a consistent estimator of the target function, (2) approximate the estimator using a few variables by l1-type penalized estimation. We see that the proposed method can be applied to various kernel nonparametric estimation such as kernel ridge regression, kernel-based density and density-ratio estimation. We prove that the proposed method has the property of the variable selection consistency when the power series kernel is …
Geneva School of Business Administration, HES-SO（日内瓦工商管理学院，HES-SO）；University of Geneva（日内瓦大学）
We propose a new method for input variable selection in nonlinear regression. The method is embedded into a kernel regression machine that can model general nonlinear functions, not being a priori limited to additive models. This is the first kernel-based variable selection method applicable to large datasets. It sidesteps the typical poor scaling properties of kernel methods by mapping the inputs into a relatively low-dimensional space of random features. The algorithm discovers the variables relevant for the regression task together with learning the prediction model through learning the app…
Shanghai University of Finance and Economics（上海财经大学）；City University of Hong Kong（香港城市大学）；Nanjing Audit University（南京审计大学）
Variable selection is central to high-dimensional data analysis, and various algorithms have been developed. Ideally, a variable selection algorithm shall be flexible, scalable, and with theoretical guarantee, yet most existing algorithms cannot attain these properties at the same time. In this article, a three-step variable selection algorithm is developed, involving kernel-based estimation of the regression function and its gradient functions as well as a hard thresholding. Its key advantage is that it assumes no explicit model assumption, admits general predictor effects, allows for scalabl…
For many practical problems, the regression models follow the strong heredity property (also known as the marginality), which means they include parent main effects when a second-order effect is present. Existing methods rely mostly on special penalty functions or algorithms to enforce the strong heredity in variable selection. We propose a novel hierarchical standardization procedure to maintain strong heredity in variable selection. Our method is effortless to implement and is applicable to any variable selection method for any type of regression. The performance of the hierarchical standard…
Seoul National University（首尔国立大学）；Korea University（高丽大学）
Variable selection is essential in high-dimensional data analysis. Although various variable selection methods have been developed, most rely on the linear model assumption. This article proposes a nonparametric variable selection method for the large-margin classifier defined by reproducing the kernel Hilbert space (RKHS). we propose a gradient-based representation of the large-margin classifier and then regularize the gradient functions by the group-lasso penalty to obtain sparse gradients that naturally lead to the variable selection. The groupwise-majorization-decent algorithm (GMD, Yang a…
Yahoo! Labs（雅虎实验室）；Tokyo Institute of Technology（东京工业大学）；Disney Research Pittsburgh（迪士尼匹兹堡研究院）；Carnegie Mellon University（卡内基梅隆大学）
The goal of supervised feature selection is to find a subset of input features that are responsible for predicting output values. The least absolute shrinkage and selection operator (Lasso) allows computationally efficient feature selection based on linear dependency between input features and output values. In this paper, we consider a feature-wise kernelized Lasso for capturing non-linear input-output dependency. We first show that, with particular choices of kernel functions, non-redundant features with strong statistical dependence on output values can be found in terms of kernel-based ind…
Nonlinear kernel regression models are often used in statistics and machine learning because they are more accurate than linear models. Variable selection for kernel regression models is a challenge partly because, unlike the linear regression setting, there is no clear concept of an effect size for regression coefficients. In this paper, we propose a novel framework that provides an effect size analog of each explanatory variable for Bayesian kernel regression models when the kernel is shift-invariant --- for example, the Gaussian kernel. We use function analytic properties of shift-invariant…
We describe a regularized regression model for the selection of gene-environment (GxE) interactions. The model focuses on a single environmental exposure and induces a main-effect-before-interaction hierarchical structure. We propose an efficient fitting algorithm and screening rules that can discard large numbers of irrelevant predictors with high accuracy. We present simulation results showing that the model outperforms existing joint selection methods for (GxE) interactions in terms of selection performance, scalability and speed, and provide a real data application. Our implementation is a…
This paper is concerned with a store-choice model for investigating consumers' store-choice behavior based on scanner panel data. Our store-choice model enables us to evaluate the effects of the consumer/product attributes not only on the consumer's store choice but also on his/her purchase quantity. Moreover, we adopt a mixed-integer optimization (MIO) approach to selecting the best set of explanatory variables with which to construct a store-choice model. We devise two MIO models for hierarchical variable selection in which the hierarchical structure of product categories is used to enhance …
Learning with Reproducing Kernel Hilbert Spaces (RKHS) has been widely used in many scientific disciplines. Because a RKHS can be very flexible, it is common to impose a regularization term in the optimization to prevent overfitting. Standard RKHS learning employs the squared norm penalty of the learning function. Despite its success, many challenges remain. In particular, one cannot directly use the squared norm penalty for variable selection or data extraction. Therefore, when there exists noise predictors, or the underlying function has a sparse representation in the dual space, the perform…
Thanks to its fine balance between model flexibility and interpretability, the nonparametric additive model has been widely used, and variable selection for this type of model has been frequently studied. However, none of the existing solutions can control the false discovery rate (FDR) unless the sample size tends to infinity. The knockoff framework is a recent proposal that can address this issue, but few knockoff solutions are directly applicable to nonparametric models. In this article, we propose a novel kernel knockoffs selection procedure for the nonparametric additive model. We integra…
Many scientific problems require identifying a small set of covariates that are associated with a target response and estimating their effects. Often, these effects are nonlinear and include interactions, so linear and additive methods can lead to poor estimation and variable selection. Unfortunately, methods that simultaneously express sparsity, nonlinearity, and interactions are computationally intractable -- with runtime at least quadratic in the number of covariates, and often worse. In the present work, we solve this computational bottleneck. We show that suitable interaction models have …
In many engineering and scientific applications, prediction variables are grouped, for example, in biological applications where assayed genes or proteins can be grouped by biological roles or biological pathways. Common statistical analysis methods such as ANOVA, factor analysis, and functional modeling with basis sets also exhibit natural variable groupings. Existing successful group variable selection methods such as Antoniadis and Fan (2001), Yuan and Lin (2006) and Zhao, Rocha and Yu (2009) have the limitation of selecting variables in an "all-in-all-out" fashion, i.e., when one variable …
Beijing Normal University（北京师范大学）；Central University of Finance and Economics（中央财经大学）；Zhejiang Normal University（浙江师范大学）；University of York（约克大学）
In this work, we propose a family of novel quantum kernels, namely the Hierarchical Aligned Quantum Jensen-Shannon Kernels (HAQJSK), for un-attributed graphs. Different from most existing classical graph kernels, the proposed HAQJSK kernels can incorporate hierarchical aligned structure information between graphs and transform graphs of random sizes into fixed-sized aligned graph structures, i.e., the Hierarchical Transitive Aligned Adjacency Matrix of vertices and the Hierarchical Transitive Aligned Density Matrix of the Continuous-Time Quantum Walk (CTQW). For a pair of graphs to hand, the r…
Central University of Finance and Economics（中央财经大学）；University of York（约克大学）
In this paper, we develop a new graph kernel, namely the Hierarchical Transitive-Aligned kernel, by transitively aligning the vertices between graphs through a family of hierarchical prototype graphs. Comparing to most existing state-of-the-art graph kernels, the proposed kernel has three theoretical advantages. First, it incorporates the locational correspondence information between graphs into the kernel computation, and thus overcomes the shortcoming of ignoring structural correspondences arising in most R-convolution kernels. Second, it guarantees the transitivity between the correspondenc…
Universität Stuttgart（斯图加特大学）；Bosch Healthcare Solutions（博世医疗解决方案）
We investigate iterated compositions of weighted sums of Gaussian kernels and provide an interpretation of the construction that shows some similarities with the architectures of deep neural networks. On the theoretical side, we show that these kernels are universal and that SVMs using these kernels are universally consistent. We further describe a parameter optimization method for the kernel parameters and empirically compare this method to SVMs, random forests, a multiple kernel learning approach, and to some deep neural networks.
Modal linear regression (MLR) is a method for obtaining a conditional mode predictor as a linear model. We study kernel selection for MLR from two perspectives: "which kernel achieves smaller error?" and "which kernel is computationally efficient?". First, we show that a Biweight kernel is optimal in the sense of minimizing an asymptotic mean squared error of a resulting MLR parameter. This result is derived from our refined analysis of an asymptotic statistical behavior of MLR. Secondly, we provide a kernel class for which iteratively reweighted least-squares algorithm (IRLS) is guaranteed to…
IBM Thomas J. Watson Research Center（IBM托马斯·J·沃森研究中心）；Tel Aviv University（特拉维夫大学）；Google Brain, NYC（谷歌大脑（纽约））
We propose a novel class of kernels to alleviate the high computational cost of large-scale nonparametric learning with kernel methods. The proposed kernel is defined based on a hierarchical partitioning of the underlying data domain, where the Nyström method (a globally low-rank approximation) is married with a locally lossless approximation in a hierarchical fashion. The kernel maintains (strict) positive-definiteness. The corresponding kernel matrix admits a recursively off-diagonal low-rank structure, which allows for fast linear algebra computations. Suppressing the factor of data dimensi…
University of Michigan（密歇根大学）；Lawrence Berkeley National Laboratory（劳伦斯伯克利国家实验室）
We present memory-efficient and scalable algorithms for kernel methods used in machine learning. Using hierarchical matrix approximations for the kernel matrix the memory requirements, the number of floating point operations, and the execution time are drastically reduced compared to standard dense linear algebra routines. We consider both the general $\mathcal{H}$ matrix hierarchical format as well as Hierarchically Semi-Separable (HSS) matrices. Furthermore, we investigate the impact of several preprocessing and clustering techniques on the hierarchical matrix compression. Effective clusteri…
INRIA（法国国家信息与自动化研究所）；Laboratoire d’Informatique de l’Ecole Normale Supérieure（巴黎高等师范学院计算机实验室）；CNRS（法国国家科学研究中心）；ENS（巴黎高等师范学院）
For supervised and unsupervised learning, positive definite kernels allow to use large and potentially infinite dimensional feature spaces with a computational cost that only depends on the number of observations. This is usually done through the penalization of predictor functions by Euclidean or Hilbertian norms. In this paper, we explore penalizing by sparsity-inducing norms such as the l1-norm or the block l1-norm. We assume that the kernel decomposes into a large sum of individual basis kernels which can be embedded in a directed acyclic graph; we show that it is then possible to perform …
Joint modeling of language and vision has been drawing increasing interest. A multimodal data representation allowing for bidirectional retrieval of images by sentences and vice versa is a key aspect. In this paper we present three contributions in canonical correlation analysis (CCA) based multimodal retrieval. Firstly, we show that an asymmetric weighting of the canonical weights, while achieving a cross view mapping from the search to the query space, improves the retrieval performance. Secondly, we devise a computationally efficient model selection, crucial to generalization and stability,…
Department of Computer Science and Technology（计算机科学与技术系）；MIIT Key Laboratory of Pattern Analysis and Machine Intelligence（工业和信息化部模式分析与机器智能重点实验室）；Nanjing University of Aeronautics and Astronautics（南京航空航天大学）；Jiangsu Province（江苏省）
Graph kernel is a powerful tool measuring the similarity between graphs. Most of the existing graph kernels focused on node labels or attributes and ignored graph hierarchical structure information. In order to effectively utilize graph hierarchical structure information, we propose pyramid graph kernel based on optimal transport (OT). Each graph is embedded into hierarchical structures of the pyramid. Then, the OT distance is utilized to measure the similarity between graphs in hierarchical structures. We also utilize the OT distance to measure the similarity between subgraphs and propose sub…
Imperial College London（帝国理工学院）；University College London（伦敦大学学院）
Stacking Gaussian Processes severely diminishes the model's ability to detect outliers, which when combined with non-zero mean functions, further extrapolates low non-parametric variance to low training data density regions. We propose a hybrid kernel inspired from Varifold theory, operating in both Euclidean and Wasserstein space. We posit that directly taking into account the variance in the computation of Wasserstein-2 distances is of key importance towards maintaining outlier status throughout the hierarchy. We show improved performance on medium and large scale datasets and enhanced out-o…
Typically, nonlinear Support Vector Machines (SVMs) produce significantly higher classification quality when compared to linear ones but, at the same time, their computational complexity is prohibitive for large-scale datasets: this drawback is essentially related to the necessity to store and manipulate large, dense and unstructured kernel matrices. Despite the fact that at the core of training a SVM there is a \textit{simple} convex optimization problem, the presence of kernel matrices is responsible for dramatic performance reduction, making SVMs unworkably slow for large problems. Aiming t…
High-order parametric models that include terms for feature interactions are applied to various data mining tasks, where ground truth depends on interactions of features. However, with sparse data, the high- dimensional parameters for feature interactions often face three issues: expensive computation, difficulty in parameter estimation and lack of structure. Previous work has proposed approaches which can partially re- solve the three issues. In particular, models with factorized parameters (e.g. Factorization Machines) and sparse learning algorithms (e.g. FTRL-Proximal) can tackle the first …
Metric learning for classification has been intensively studied over the last decade. The idea is to learn a metric space induced from a normed vector space on which data from different classes are well separated. Different measures of the separation thus lead to various designs of the objective function in the metric learning model. One classical metric is the Mahalanobis distance, where a linear transformation matrix is designed and applied on the original dataset to obtain a new subspace equipped with the Euclidean norm. The kernelized version has also been developed, followed by Multiple-K…
We consider the two-group classification problem and propose a kernel classifier based on the optimal scoring framework. Unlike previous approaches, we provide theoretical guarantees on the expected risk consistency of the method. We also allow for feature selection by imposing structured sparsity using weighted kernels. We propose fully-automated methods for selection of all tuning parameters, and in particular adapt kernel shrinkage ideas for ridge parameter selection. Numerical studies demonstrate the superior classification performance of the proposed approach compared to existing nonparam…
Harvard University（哈佛大学）；University of Michigan（密歇根大学）
Motivated by the need for efficient and personalized learning in mobile health, we investigate the problem of online kernel selection for Gaussian Process regression in the multi-task setting. We propose a novel generative process on the kernel composition for this purpose. Our method demonstrates that trajectories of kernel evolutions can be transferred between users to improve learning and that the kernels themselves are meaningful for an mHealth prediction goal.
I propose kernel ridge regression estimators for nonparametric dose response curves and semiparametric treatment effects in the setting where an analyst has access to a selected sample rather than a random sample; only for select observations, the outcome is observed. I assume selection is as good as random conditional on treatment and a sufficiently rich set of observed covariates, where the covariates are allowed to cause treatment or be caused by treatment -- an extension of missingness-at-random (MAR). I propose estimators of means, increments, and distributions of counterfactual outcomes …
Monash University（蒙纳士大学）；National Technical University of Athens（雅典国家技术大学）
Model selection has been proven an effective strategy for improving accuracy in time series forecasting applications. However, when dealing with hierarchical time series, apart from selecting the most appropriate forecasting model, forecasters have also to select a suitable method for reconciling the base forecasts produced for each series to make sure they are coherent. Although some hierarchical forecasting methods like minimum trace are strongly supported both theoretically and empirically for reconciling the base forecasts, there are still circumstances under which they might not produce t…
We consider the dynamic classifier selection (DCS) problem: Given an ensemble of classifiers, we are to choose which classifier to use depending on the particular input vector that we get to classify. The problem is a special case of the general algorithm selection problem where we have multiple different algorithms we can employ to process a given input. We investigate if a method developed for general algorithm selection named cost-sensitive hierarchical clustering (CSHC) is suited for DCS. We introduce some additions to the original CSHC method for the special case of choosing a classificat…
Kernel based methods have shown effective performance in many remote sensing classification tasks. However their performance significantly depend on its hyper-parameters. The conventional technique to estimate the parameter comes with high computational complexity. Thus, the objective of this letter is to propose an fast and efficient method to select the bandwidth parameter of the Gaussian kernel in the kernel based classification methods. The proposed method is developed based on the operators in the reproducing kernel Hilbert space and it is evaluated on Support vector machines and PerTurbo…
Toyota Technological Institute at Chicago（芝加哥丰田技术研究院）
We study the problem of column selection in large-scale kernel canonical correlation analysis (KCCA) using the Nyström approximation, where one approximates two positive semi-definite kernel matrices using "landmark" points from the training set. When building low-rank kernel approximations in KCCA, previous work mostly samples the landmarks uniformly at random from the training set. We propose novel strategies for sampling the landmarks non-uniformly based on a version of statistical leverage scores recently developed for kernel ridge regression. We study the approximation accuracy of the pro…
Center for Brains Minds and Machines, Massachusetts Institute of Technology（麻省理工学院脑、心智与机器中心）；Laboratory for Computational Learning, Istituto Italiano di Tecnologia（意大利理工学院计算学习实验室）；Massachusetts Institute of Technology（麻省理工学院）；DIBRIS, Universitá degli studi di Genova（热那亚大学DIBRIS）；Institute for Infocomm Research（信息通信研究院）
In i-theory a typical layer of a hierarchical architecture consists of HW modules pooling the dot products of the inputs to the layer with the transformations of a few templates under a group. Such layers include as special cases the convolutional layers of Deep Convolutional Networks (DCNs) as well as the non-convolutional layers (when the group contains only the identity). Rectifying nonlinearities -- which are used by present-day DCNs -- are one of the several nonlinearities admitted by i-theory for the HW module. We discuss here the equivalence between group averages of linear combinations…
Indian Institute of Technology, Madras（印度理工学院马德拉斯分校）
Face Recognition (FR) has been the interest to several researchers over the past few decades due to its passive nature of biometric authentication. Despite high accuracy achieved by face recognition algorithms under controlled conditions, achieving the same performance for face images obtained in surveillance scenarios, is a major hurdle. Some attempts have been made to super-resolve the low-resolution face images and improve the contrast, without considerable degree of success. The proposed technique in this paper tries to cope with the very low resolution and low contrast face images obtaine…
We propose a method for feature selection that employs kernel-based measures of independence to find a subset of covariates that is maximally predictive of the response. Building on past work in kernel dimension reduction, we show how to perform feature selection via a constrained optimization problem involving the trace of the conditional covariance operator. We prove various consistency results for this procedure, and also demonstrate that our method compares favorably with other state-of-the-art algorithms on a variety of synthetic and real data sets.
Automated tuning of compute kernels is a popular area of research, mainly focused on finding optimal kernel parameters for a problem with fixed input sizes. This approach is good for deploying machine learning models, where the network topology is constant, but machine learning research often involves changing network topologies and hyperparameters. Traditional kernel auto-tuning has limited impact in this case; a more general selection of kernels is required for libraries to accelerate machine learning research. In this paper we present initial results using machine learning to select kernels…
Variational Autoencoder Kernel Interpretation and Selection for Classification
University of Madeira（马德拉大学）；Interactive Technologies Institute（交互技术研究所）；Institute for Technological Development and Innovation in Communications, Universidad de Las Palmas de Gran Canaria（拉斯帕尔马斯大学通信技术发展与创新研究所）
Most deep architectures for image classification--even those that are trained to classify a large number of diverse categories--learn shared image representations with a single model. Intuitively, however, categories that are more similar should share more information than those that are very different. While hierarchical deep networks address this problem by learning separate features for subsets of related categories, current implementations require simplified models using fixed architectures specified via heuristic clustering methods. Instead, we propose Blockout, a method for regularizatio…
CITEC cluster of excellence（CITEC卓越集群）；Bielefeld University（比勒费尔德大学）
Multiple kernel learning (MKL) algorithms combine different base kernels to obtain a more efficient representation in the feature space. Focusing on discriminative tasks, MKL has been used successfully for feature selection and finding the significant modalities of the data. In such applications, each base kernel represents one dimension of the data or is derived from one specific descriptor. Therefore, MKL finds an optimal weighting scheme for the given kernels to increase the classification accuracy. Nevertheless, the majority of the works in this area focus on only binary classification pro…
The University of Electro-Communications（电气通信大学）；Nanjing University（南京大学）；Nanjing University of Science and Technology（南京理工大学）
Recently, the application of deep learning models to diagnose neuropsychiatric diseases from brain imaging data has received more and more attention. However, in practice, exploring interactions in brain functional connectivity based on operational magnetic resonance imaging data is critical for studying mental illness. Since Attention-Deficit and Hyperactivity Disorder (ADHD) is a type of chronic disease that is very difficult to diagnose in the early stages, it is necessary to improve the diagnosis accuracy of such illness using machine learning models treating patients before the critical c…
Node classification on graph data is a major problem, and various graph neural networks (GNNs) have been proposed. Variants of GNNs such as H2GCN and CPF outperform graph convolutional networks (GCNs) by improving on the weaknesses of the traditional GNN. However, there are some graph data which these GNN variants fail to perform well than other GNNs in the node classification task. This is because H2GCN has a feature thinning on graph data with high average degree, and CPF gives rise to a problem about label-propagation suitability. Accordingly, we propose a hierarchical model selection frame…
