In the field of data mining, how to deal with high-dimensional data is an inevitable problem. Unsupervised feature selection has attracted more and more attention because it does not rely on labels. The performance of spectral-based unsupervised methods depends on the quality of constructed similarity matrix, which is used to depict the intrinsic structure of data. However, real-world data contain a large number of noise samples and features, making the similarity matrix constructed by original data cannot be completely reliable. Worse still, the size of similarity matrix expands rapidly as the number of samples increases, making the computational cost increase significantly. Inspired by principal component analysis, we propose a simple and efficient unsupervised feature selection method, by combining reconstruction error with $l_{2,p}$-norm regularization. The projection matrix, which is used for feature selection, is learned by minimizing the reconstruction error under the sparse constraint. Then, we present an efficient optimization algorithm to solve the proposed unsupervised model, and analyse the convergence and computational complexity of the algorithm theoretically. Finally, extensive experiments on real-world data sets demonstrate the effectiveness of our proposed method.
This is a detailed tutorial paper which explains the Principal Component Analysis (PCA), Supervised PCA (SPCA), kernel PCA, and kernel SPCA. We start with projection, PCA with eigen-decomposition, PCA with one and multiple projection directions, properties of the projection matrix, reconstruction error minimization, and we connect to autoencoder. Then, PCA with singular value decomposition, dual PCA, and kernel PCA are covered. SPCA using both scoring and Hilbert-Schmidt independence criterion are explained. Kernel SPCA using both direct and dual approaches are then introduced. We cover all ca…
Big Data Lab, Baidu Research（百度研究院大数据实验室）；School of Artificial Intelligence and Automation Huazhong University of Science and Technology（华中科技大学人工智能与自动化学院）
Principal component analysis (PCA) has been widely used as an effective technique for feature extraction and dimension reduction. In the High Dimension Low Sample Size (HDLSS) setting, one may prefer modified principal components, with penalized loadings, and automated penalty selection by implementing model selection among these different models with varying penalties. The earlier work [1, 2] has proposed penalized PCA, indicating the feasibility of model selection in $L_2$- penalized PCA through the solution path of Ridge regression, however, it is extremely time-consuming because of the int…
German Center for Neurodegenerative Diseases（德国神经退行性疾病中心）；University of Cambridge（剑桥大学）
Linear projections are widely used in the analysis of high-dimensional data. In unsupervised settings where the data harbour latent classes/clusters, the question of whether class discriminatory signals are retained under projection is crucial. In the case of mean differences between classes, this question has been well studied. However, in many contemporary applications, notably in biomedicine, group differences at the level of covariance or graphical model structure are important. Motivated by such applications, in this paper we ask whether linear projections can preserve differences in seco…
Principal component analysis (PCA) is widely used for dimensionality reduction, with well-documented merits in various applications involving high-dimensional data, including computer vision, preference measurement, and bioinformatics. In this context, the fresh look advocated here permeates benefits from variable selection and compressive sampling, to robustify PCA against outliers. A least-trimmed squares estimator of a low-rank bilinear factor analysis model is shown closely related to that obtained from an $\ell_0$-(pseudo)norm-regularized criterion encouraging sparsity in a matrix explici…
Johns Hopkins University（约翰斯·霍普金斯大学）；Flatiron Institute（熨斗研究所）；New York University（纽约大学）
Overparameterization in deep learning is powerful: Very large models fit the training data perfectly and yet often generalize well. This realization brought back the study of linear models for regression, including ordinary least squares (OLS), which, like deep learning, shows a "double-descent" behavior: (1) The risk (expected out-of-sample prediction error) can grow arbitrarily when the number of parameters $p$ approaches the number of samples $n$, and (2) the risk decreases with $p$ for $p>n$, sometimes achieving a lower value than the lowest risk for $p<n$. The divergence of the risk for O…
Feature selection (FS) is a process which attempts to select more informative features. In some cases, too many redundant or irrelevant features may overpower main features for classification. Feature selection can remedy this problem and therefore improve the prediction accuracy and reduce the computational overhead of classification algorithms. The main aim of feature selection is to determine a minimal feature subset from a problem domain while retaining a suitably high accuracy in representing the original features. In this paper, Principal Component Analysis (PCA), Rough PCA, Unsupervised…
Huazhong University of Science and Technology（华中科技大学）；University of Technology Sydney（悉尼科技大学）
Dimensionality reduction is an important operation in information visualization, feature extraction, clustering, regression, and classification, especially for processing noisy high dimensional data. However, most existing approaches preserve either the global or the local structure of the data, but not both. Approaches that preserve only the global data structure, such as principal component analysis (PCA), are usually sensitive to outliers. Approaches that preserve only the local data structure, such as locality preserving projections, are usually unsupervised (and hence cannot use label inf…
A new low-dimensional parameterization based on principal component analysis (PCA) and convolutional neural networks (CNN) is developed to represent complex geological models. The CNN-PCA method is inspired by recent developments in computer vision using deep learning. CNN-PCA can be viewed as a generalization of an existing optimization-based PCA (O-PCA) method. Both CNN-PCA and O-PCA entail post-processing a PCA model to better honor complex geological features. In CNN-PCA, rather than use a histogram-based regularization as in O-PCA, a new regularization involving a set of metrics for multi…
This paper concerns the critical decision process of extracting or selecting the features before applying a clustering algorithm. It is not obvious to evaluate the importance of the features since the most popular methods to do it are usually made for a supervised learning technique process. A clustering algorithm is an unsupervised method. It means that there is no known output label to match the input data. This paper proposes a new method to choose the best dimensionality reduction method (selection or extraction) according to the data scientist's parameters, aiming to apply a clustering pr…
Harbin Institute of Technology（哈尔滨工业大学）；Qufu Normal University（曲阜师范大学）；Anhui University（安徽大学）
Principal Component Analysis (PCA) has been used to study the pathogenesis of diseases. To enhance the interpretability of classical PCA, various improved PCA methods have been proposed to date. Among these, a typical method is the so-called sparse PCA, which focuses on seeking sparse loadings. However, the performance of these methods is still far from satisfactory due to their limitation of using unsupervised learning methods; moreover, the class ambiguity within the sample is high. To overcome this problem, this study developed a new PCA method, which is named the Supervised Discriminative …
Edmund Mach Foundation – Research and Innovation Center（埃德蒙·马赫基金会——研究与创新中心）
Linear principal component analysis (PCA) can be extended to a nonlinear PCA by using artificial neural networks. But the benefit of curved components requires a careful control of the model complexity. Moreover, standard techniques for model selection, including cross-validation and more generally the use of an independent test set, fail when applied to nonlinear PCA because of its inherent unsupervised characteristics. This paper presents a new approach for validating the complexity of nonlinear PCA models by using the error in missing data estimation as a criterion for model selection. It i…
Principal component analysis (PCA) is an unsupervised method for learning low-dimensional features with orthogonal projections. Multilinear PCA methods extend PCA to deal with multidimensional data (tensors) directly via tensor-to-tensor projection or tensor-to-vector projection (TVP). However, under the TVP setting, it is difficult to develop an effective multilinear PCA method with the orthogonality constraint. This paper tackles this problem by proposing a novel Semi-Orthogonal Multilinear PCA (SO-MPCA) approach. SO-MPCA learns low-dimensional features directly from tensors via TVP by impos…
Unsupervised neural networks, such as restricted Boltzmann machines (RBMs) and deep belief networks (DBNs), are powerful tools for feature selection and pattern recognition tasks. We demonstrate that overfitting occurs in such models just as in deep feedforward neural networks, and discuss possible regularization methods to reduce overfitting. We also propose a "partial" approach to improve the efficiency of Dropout/DropConnect in this scenario, and discuss the theoretical justification of these methods from model convergence and likelihood bounds. Finally, we compare the performance of these …
Graph convolution operator of the GCN model is originally motivated from a localized first-order approximation of spectral graph convolutions. This work stands on a different view; establishing a \textit{mathematical connection between graph convolution and graph-regularized PCA} (GPCA). Based on this connection, GCN architecture, shaped by stacking graph convolution layers, shares a close relationship with stacking GPCA. We empirically demonstrate that the \textit{unsupervised} embeddings by GPCA paired with a 1- or 2-layer MLP achieves similar or even better performance than GCN on semi-supe…
Feature selection is an important data preprocessing in data mining and machine learning which can be used to reduce the feature dimension without deteriorating model's performance. Since obtaining annotated data is laborious or even infeasible in many cases, unsupervised feature selection is more practical in reality. Though lots of methods for unsupervised feature selection have been proposed, these methods select features independently, thus it is no guarantee that the group of selected features is optimal. What's more, the number of selected features must be tuned carefully to obtain a sat…
We present an extension of sparse PCA, or sparse dictionary learning, where the sparsity patterns of all dictionary elements are structured and constrained to belong to a prespecified set of shapes. This \emph{structured sparse PCA} is based on a structured regularization recently introduced by [1]. While classical sparse priors only deal with \textit{cardinality}, the regularization we use encodes higher-order information about the data. We propose an efficient and simple optimization procedure to solve this problem. Experiments with two practical tasks, face recognition and the study of the …
Southwest Jiaotong University（西南交通大学）；National Engineering Laboratory of Integrated Transportation Big Data Application Technology（综合交通运输大数据应用技术国家工程实验室）
Much more attention has been paid to unsupervised feature selection nowadays due to the emergence of massive unlabeled data. The distribution of samples and the latent effect of training a learning method using samples in more effective order need to be considered so as to improve the robustness of the method. Self-paced learning is an effective method considering the training order of samples. In this study, an unsupervised feature selection is proposed by integrating the framework of self-paced learning and subspace learning. Moreover, the local manifold structure is preserved and the redund…
Principal component analysis (PCA) is a well-known linear dimension-reduction method that has been widely used in data analysis and modeling. It is an unsupervised learning technique that identifies a suitable linear subspace for the input variable that contains maximal variation and preserves as much information as possible. PCA has also been used in prediction models where the original, high-dimensional space of predictors is reduced to a smaller, more manageable, set before conducting regression analysis. However, this approach does not incorporate information in the response during the dim…
Sparse versions of principal component analysis (PCA) have imposed themselves as simple, yet powerful ways of selecting relevant features of high-dimensional data in an unsupervised manner. However, when several sparse principal components are computed, the interpretation of the selected variables is difficult since each axis has its own sparsity pattern and has to be interpreted separately. To overcome this drawback, we propose a Bayesian procedure called globally sparse probabilistic PCA (GSPPCA) that allows to obtain several sparse components with the same sparsity pattern. This allows the …
In this paper, we consider a new variant for principal component analysis (PCA), aiming to capture the grouping and/or sparse structures of factor loadings simultaneously. To achieve these goals, we employ a non-convex truncated regularization with naturally adjustable sparsity and grouping effects, and propose the Feature Grouping and Sparse Principal Component Analysis (FGSPCA). The proposed FGSPCA method encourages the factor loadings with similar values to collapse into disjoint homogeneous groups for feature grouping or into a special zero-valued group for feature selection, which in turn…
This paper addresses how well we can recover a data matrix when only given a few of its elements. We present a randomized algorithm that element-wise sparsifies the data, retaining only a few its elements. Our new algorithm independently samples the data using sampling probabilities that depend on both the squares ($\ell_2$ sampling) and absolute values ($\ell_1$ sampling) of the entries. We prove that the hybrid algorithm recovers a near-PCA reconstruction of the data from a sublinear sample-size: hybrid-($\ell_1,\ell_2$) inherits the $\ell_2$-ability to sample the important elements as well …
Center for Urban Science and Progress（城市科学与进步中心）；New York University（纽约大学）；Institute Of Design And Urbanism（设计与城市主义研究所）；ITMO University（圣彼得堡国立信息技术机械与光学大学）
Unsupervised anomaly detection from high dimensional data like mobility networks is a challenging task. Study of different approaches of feature engineering from such high dimensional data have been a focus of research in this field. This study aims to investigate the transferability of features learned by network classification to unsupervised anomaly detection. We propose use of an auxiliary classification task to extract features from unlabelled data by supervised learning, which can be used for unsupervised anomaly detection. We validate this approach by designing experiments to detect ano…
In the past decade, sparse and low-rank recovery have drawn much attention in many areas such as signal/image processing, statistics, bioinformatics and machine learning. To achieve sparsity and/or low-rankness inducing, the $\ell_1$ norm and nuclear norm are of the most popular regularization penalties due to their convexity. While the $\ell_1$ and nuclear norm are convenient as the related convex optimization problems are usually tractable, it has been shown in many applications that a nonconvex penalty can yield significantly better performance. In recent, nonconvex regularization based spa…
We address the problem of defining a group sparse formulation for Principal Components Analysis (PCA) - or its equivalent formulations as Low Rank approximation or Dictionary Learning problems - which achieves a compromise between maximizing the variance explained by the components and promoting sparsity of the loadings. So we propose first a new definition of the variance explained by non necessarily orthogonal components, which is optimal in some aspect and compatible with the principal components situation. Then we use a specific regularization of this variance by the group-$\ell_{1}$ norm …
School of Mechatronic Engineering and Automation, Shanghai University（机械电子工程与自动化学院，上海大学）；School of Mathematics and Statistics, Beijing Jiaotong University（数学与统计学院，北京交通大学）；Academy of Mathematics and Systems Science, Chinese Academy of Sciences（数学与系统科学学院，中国科学院）；School of Intelligent Systems Engineering, Sun Yat-sen University（智能系统工程学院，中山大学）
We study a hybrid conditional gradient - smoothing algorithm (HCGS) for solving composite convex optimization problems which contain several terms over a bounded set. Examples of these include regularization problems with several norms as penalties and a norm constraint. HCGS extends conditional gradient methods to cases with multiple nonsmooth terms, in which standard conditional gradient methods may be difficult to apply. The HCGS algorithm borrows techniques from smoothing proximal methods and requires first-order computations (subgradients and proximity operations). Unlike proximal methods…
Though there is a growing body of literature on fairness for supervised learning, the problem of incorporating fairness into unsupervised learning has been less well-studied. This paper studies fairness in the context of principal component analysis (PCA). We first present a definition of fairness for dimensionality reduction, and our definition can be interpreted as saying that a reduction is fair if information about a protected class (e.g., race or gender) cannot be inferred from the dimensionality-reduced data points. Next, we develop convex optimization formulations that can improve the f…
This work presents a novel approach for robust PCA with total variation regularization for foreground-background separation and denoising on noisy, moving camera video. Our proposed algorithm registers the raw (possibly corrupted) frames of a video and then jointly processes the registered frames to produce a decomposition of the scene into a low-rank background component that captures the static components of the scene, a smooth foreground component that captures the dynamic components of the scene, and a sparse component that can isolate corruptions and other non-idealities. Unlike existing …
Principal Component Analysis (PCA) is a dimension reduction technique. It produces inconsistent estimators when the dimensionality is moderate to high, which is often the problem in modern large-scale applications where algorithm scalability and model interpretability are difficult to achieve, not to mention the prevalence of missing values. While existing sparse PCA methods alleviate inconsistency, they are constrained to the Gaussian assumption of classical PCA and fail to address algorithm scalability issues. We generalize sparse PCA to the broad exponential family distributions under high-…
Principal component regression (PCR) is a two-stage procedure: the first stage performs principal component analysis (PCA) and the second stage constructs a regression model whose explanatory variables are replaced by principal components obtained by the first stage. Since PCA is performed by using only explanatory variables, the principal components have no information about the response variable. To address the problem, we propose a one-stage procedure for PCR in terms of singular value decomposition approach. Our approach is based upon two loss functions, a regression loss and a PCA loss, w…
Singular value decomposition (SVD) is the mathematical basis of principal component analysis (PCA). Together, SVD and PCA are one of the most widely used mathematical formalism/decomposition in machine learning, data mining, pattern recognition, artificial intelligence, computer vision, signal processing, etc. In recent applications, regularization becomes an increasing trend. In this paper, we present a regularized SVD (RSVD), present an efficient computational algorithm, and provide several theoretical analysis. We show that although RSVD is non-convex, it has a closed-form global optimal so…
University of Florida Informatics Institute（佛罗里达大学信息学研究所）；University of Florida（佛罗里达大学）
Network data are commonly collected in a variety of applications, representing either directly measured or statistically inferred connections between features of interest. In an increasing number of domains, these networks are collected over time, such as interactions between users of a social media platform on different days, or across multiple subjects, such as in multi-subject studies of brain connectivity. When analyzing multiple large networks, dimensionality reduction techniques are often used to embed networks in a more tractable low-dimensional space. To this end, we develop a framewor…
Quanzhou Institute of Equipment Manufacturing, Haixi Institutes, Chinese Academy of Sciences（中国科学院海西研究院泉州装备制造研究所）；University of Reading（雷丁大学）
An improved mixture of probabilistic principal component analysis (PPCA) has been introduced for nonlinear data-driven process monitoring in this paper. To realize this purpose, the technique of a mixture of probabilistic principal component analysers is utilized to establish the model of the underlying nonlinear process with local PPCA models, where a novel composite monitoring statistic is proposed based on the integration of two monitoring statistics in modified PPCA-based fault detection approach. Besides, the weighted mean of the monitoring statistics aforementioned is utilised as a metri…
Randomized PCA Forest for Unsupervised Outlier Detection
Department of Mathematics and Computer Science（数学与计算机科学系）；University of Southern Denmark（南丹麦大学）；Faculty of Information Technology and Communication Sciences（信息科技与通信科学学院）；Tampere University（塔尔库大学）
Regularized variants of Principal Components Analysis, especially Sparse PCA and Functional PCA, are among the most useful tools for the analysis of complex high-dimensional data. Many examples of massive data, have both sparse and functional (smooth) aspects and may benefit from a regularization scheme that can capture both forms of structure. For example, in neuro-imaging data, the brain's response to a stimulus may be restricted to a discrete region of activation (spatial sparsity), while exhibiting a smooth response within that region. We propose a unified approach to regularized PCA which…
Information-Geometric Decomposition of Generalization Error in Unsupervised Learning
Department of Physics and Astronomy, Seoul National University（首尔国立大学物理与天文学系）；Department of Statistics and Data Science, Yonsei University（延世大学统计与数据科学系）
We study the basic problem of robust subspace recovery. That is, we assume a data set that some of its points are sampled around a fixed subspace and the rest of them are spread in the whole ambient space, and we aim to recover the fixed underlying subspace. We first estimate "robust inverse sample covariance" by solving a convex minimization procedure; we then recover the subspace by the bottom eigenvectors of this matrix (their number correspond to the number of eigenvalues close to 0). We guarantee exact subspace recovery under some conditions on the underlying data. Furthermore, we propose…
In the past decade, sparse principal component analysis has emerged as an archetypal problem for illustrating statistical-computational tradeoffs. This trend has largely been driven by a line of research aiming to characterize the average-case complexity of sparse PCA through reductions from the planted clique (PC) conjecture - which conjectures that there is no polynomial-time algorithm to detect a planted clique of size $K = o(N^{1/2})$ in $\mathcal{G}(N, \frac{1}{2})$. All previous reductions to sparse PCA either fail to show tight computational lower bounds matching existing algorithms or …
University of Gothenburg（哥德堡大学）；Chalmers University of Technology（查尔姆斯理工大学）
High-dimensional data sets are often analyzed and explored via the construction of a latent low-dimensional space which enables convenient visualization and efficient predictive modeling or clustering. For complex data structures, linear dimensionality reduction techniques like PCA may not be sufficiently flexible to enable low-dimensional representation. Non-linear dimension reduction techniques, like kernel PCA and autoencoders, suffer from loss of interpretability since each latent variable is dependent of all input dimensions. To address this limitation, we here present path lasso penalize…
Big data is transforming our world, revolutionizing operations and analytics everywhere, from financial engineering to biomedical sciences. The complexity of big data often makes dimension reduction techniques necessary before conducting statistical inference. Principal component analysis, commonly referred to as PCA, has become an essential tool for multivariate data analysis and unsupervised dimension reduction, the goal of which is to find a lower dimensional subspace that captures most of the variation in the dataset. This article provides an overview of methodological and theoretical deve…
Principal component analysis (PCA) is by far the most widespread tool for unsupervised learning with high-dimensional data sets. Its application is popularly studied for the purpose of exploratory data analysis and online process monitoring. Unfortunately, fine-tuning PCA models and particularly the number of components remains a challenging task. Today, this selection is often based on a combination of guiding principles, experience, and process understanding. Unlike the case of regression, where cross-validation of the prediction error is a widespread and trusted approach for model selection…
Recently, the robustification of principal component analysis has attracted lots of attention from statisticians, engineers and computer scientists. In this work we study the type of outliers that are not necessarily apparent in the original observation space but can seriously affect the principal subspace estimation. Based on a mathematical formulation of such transformed outliers, a novel robust orthogonal complement principal component analysis (ROC-PCA) is proposed. The framework combines the popular sparsity-enforcing and low rank regularization techniques to deal with row-wise outliers a…
