Methods for supervised principal component analysis (SPCA) aim to incorporate label information into principal component analysis (PCA), so that the extracted features are more useful for a prediction task of interest. Prior work on SPCA has focused primarily on optimizing prediction error, and has neglected the value of maximizing variance explained by the extracted features. We propose a new method for SPCA that addresses both of these objectives jointly, and demonstrate empirically that our approach dominates existing approaches, i.e., outperforms them with respect to both prediction error and variation explained. Our approach accommodates arbitrary supervised learning losses and, through a statistical reformulation, provides a novel low-rank extension of generalized linear models.
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…
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…
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 …
In this paper, Kernel PCA is reinterpreted as the solution to a convex optimization problem. Actually, there is a constrained convex problem for each principal component, so that the constraints guarantee that the principal component is indeed a solution, and not a mere saddle point. Although these insights do not imply any algorithmic improvement, they can be used to further understand the method, formulate possible extensions and properly address them. As an example, a new convex optimization problem for semi-supervised classification is proposed, which seems particularly well-suited wheneve…
Carnegie Mellon University（卡内基梅隆大学）；Air Force Research Laboratory（空军研究实验室）
Tensor robust principal component analysis (RPCA), which seeks to separate a low-rank tensor from its sparse corruptions, has been crucial in data science and machine learning where tensor structures are becoming more prevalent. While powerful, existing tensor RPCA algorithms can be difficult to use in practice, as their performance can be sensitive to the choice of additional hyperparameters, which are not straightforward to tune. In this paper, we describe a fast and simple self-supervised model for tensor RPCA using deep unfolding by only learning four hyperparameters. Despite its simplicit…
We present three generalisations of Kernel Principal Components Analysis (KPCA) which incorporate knowledge of the class labels of a subset of the data points. The first, MV-KPCA, penalises within class variances similar to Fisher discriminant analysis. The second, LSKPCA is a hybrid of least squares regression and kernel PCA. The final LR-KPCA is an iteratively reweighted version of the previous which achieves a sigmoid loss function on the labeled points. We provide a theoretical risk bound as well as illustrative experiments on real and toy data sets.
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…
Change detection is a quite challenging task due to the imbalance between unchanged and changed class. In addition, the traditional difference map generated by log-ratio is subject to the speckle, which will reduce the accuracy. In this letter, an imbalanced learning-based change detection is proposed based on PCA network (PCA-Net), where a supervised PCA-Net is designed to obtain the robust features directly from given multitemporal SAR images instead of a difference map. Furthermore, to tackle with the imbalance between changed and unchanged classes, we propose a morphologically supervised l…
In statistical learning, high covariate dimensionality poses challenges for robust prediction and inference. To address this challenge, supervised dimension reduction is often performed, where dependence on the outcome is maximized for a selected covariate subspace with smaller dimensionality. Prevalent dimension reduction techniques assume data are $i.i.d.$, which is not appropriate for longitudinal data comprising multiple subjects with repeated measurements over time. In this paper, we derive a decomposition of the Hilbert-Schmidt Independence Criterion as a supervised loss function for lon…
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…
We present a new method which generalizes subspace learning based on eigenvalue and generalized eigenvalue problems. This method, Roweis Discriminant Analysis (RDA), is named after Sam Roweis to whom the field of subspace learning owes significantly. RDA is a family of infinite number of algorithms where Principal Component Analysis (PCA), Supervised PCA (SPCA), and Fisher Discriminant Analysis (FDA) are special cases. One of the extreme special cases, which we name Double Supervised Discriminant Analysis (DSDA), uses the labels twice; it is novel and has not appeared elsewhere. We propose a d…
Recent advances in medical imaging techniques have led to significant improvements in the management of prostate cancer (PCa). In particular, multi-parametric MRI (mp-MRI) continues to gain clinical acceptance as the preferred imaging technique for non-invasive detection and grading of PCa. However, the machine learning-based diagnosis systems for PCa are often constrained by the limited access to accurate lesion ground truth annotations for training. The performance of the machine learning system is highly dependable on both quality and quantity of lesion annotations associated with histopath…
The bucketed PCA neural network (PCA-NN) with transforms is developed here in an effort to benchmark deep neural networks (DNN's), for problems on supervised classification. Most classical PCA models apply PCA to the entire training data set to establish a reductive representation and then employ non-network tools such as high-order polynomial classifiers. In contrast, the bucketed PCA-NN applies PCA to individual buckets which are constructed in two consecutive phases, as well as retains a genuine architecture of a neural network. This facilitates a fair apple-to-apple comparison to DNN's, es…
The article proposes and theoretically analyses a \emph{computationally efficient} multi-task learning (MTL) extension of popular principal component analysis (PCA)-based supervised learning schemes \cite{barshan2011supervised,bair2006prediction}. The analysis reveals that (i) by default learning may dramatically fail by suffering from \emph{negative transfer}, but that (ii) simple counter-measures on data labels avert negative transfer and necessarily result in improved performances. Supporting experiments on synthetic and real data benchmarks show that the proposed method achieves comparable…
One of the major problems in natural language processing (NLP) is the word sense disambiguation (WSD) problem. It is the task of computationally identifying the right sense of a polysemous word based on its context. Resolving the WSD problem boosts the accuracy of many NLP focused algorithms such as text classification and machine translation. In this paper, we introduce a new supervised algorithm for WSD, that is based on Kernel PCA and Semantic Diffusion Kernel, which is called Diffusion Kernel PCA (DKPCA). DKPCA grasps the semantic similarities within terms, and it is based on PCA. These pr…
Data dimension reduction (DDR) is all about mapping data from high dimensions to low dimensions, various techniques of DDR are being used for image dimension reduction like Random Projections, Principal Component Analysis (PCA), the Variance approach, LSA-Transform, the Combined and Direct approaches, and the New Random Approach. Auto-encoders (AE) are used to learn end-to-end mapping. In this paper, we demonstrate that pre-processing not only speeds up the algorithms but also improves accuracy in both supervised and unsupervised learning. In pre-processing of DDR, first PCA based DDR is used …
University of Toronto（多伦多大学）；Google Research（谷歌研究院）
Contrastive learning is a powerful framework for learning self-supervised representations that generalize well to downstream supervised tasks. We show that multiple existing contrastive learning methods can be reinterpreted as learning kernel functions that approximate a fixed positive-pair kernel. We then prove that a simple representation obtained by combining this kernel with PCA provably minimizes the worst-case approximation error of linear predictors, under a straightforward assumption that positive pairs have similar labels. Our analysis is based on a decomposition of the target functio…
Huazhong University of Science and Technology（华中科技大学）；Hong Kong University of Science and Technology（香港科技大学）
In this paper, we address the problem of synthesizing multi-parameter magnetic resonance imaging (mp-MRI) data, i.e. Apparent Diffusion Coefficients (ADC) and T2-weighted (T2w), containing clinically significant (CS) prostate cancer (PCa) via semi-supervised adversarial learning. Specifically, our synthesizer generates mp-MRI data in a sequential manner: first generating ADC maps from 128-d latent vectors, followed by translating them to the T2w images. The synthesizer is trained in a semisupervised manner. In the supervised training process, a limited amount of paired ADC-T2w images and the c…
Pennsylvania State University（宾夕法尼亚州立大学）；Massachusetts Institute of Technology（麻省理工学院）；Istituto Italiano di Tecnologia（意大利技术研究院）；Universita’ degli Studi di Genova（热那亚大学）；INRIA（法国国家信息与自动化研究所）；École-Normale Supérieure, PSL Research University（巴黎文理研究大学巴黎高等师范学院）
In this paper, we propose and study a Nyström based approach to efficient large scale kernel principal component analysis (PCA). The latter is a natural nonlinear extension of classical PCA based on considering a nonlinear feature map or the corresponding kernel. Like other kernel approaches, kernel PCA enjoys good mathematical and statistical properties but, numerically, it scales poorly with the sample size. Our analysis shows that Nyström sampling greatly improves computational efficiency without incurring any loss of statistical accuracy. While similar effects have been observed in supervi…
Cheap and Powerful Tests for Supervised Subspaces: Per-Component Inference for PLS
Society for Open Science (Stowarzyszenie na Rzecz Otwartej Nauki)（开放科学协会）；Centre for Brain Research, Jagiellonian University（雅盖隆大学脑研究中心）；IDEAS Research Institute（IDEAS研究所）
Knowledge Transfer across Multiple Principal Component Analysis Studies
School of Management, Fudan University（复旦大学管理学院）；School of Mathematics, Shandong University（山东大学数学学院）；Institute for Financial Studies, Shandong University（山东大学金融研究院）；Department of Statistics and Data Science, National University of Singapore（新加坡国立大学统计与数据科学系）
In this paper, we propose a novel unsupervised deep learning model, called PCA-based Convolutional Network (PCN). The architecture of PCN is composed of several feature extraction stages and a nonlinear output stage. Particularly, each feature extraction stage includes two layers: a convolutional layer and a feature pooling layer. In the convolutional layer, the filter banks are simply learned by PCA. In the nonlinear output stage, binary hashing is applied. For the higher convolutional layers, the filter banks are learned from the feature maps that were obtained in the previous stage. To test…
We propose to directly compute classification estimates by learning features encoded with their class scores using PCA. Our resulting model has a encoder-decoder structure suitable for supervised learning, it is computationally efficient and performs well for classification on several datasets.
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…
Geological parameterization enables the representation of geomodels in terms of a relatively small set of variables. Parameterization is therefore very useful in the context of data assimilation and uncertainty quantification. In this study, a deep-learning-based geological parameterization algorithm, CNN-PCA, is developed for complex 3D geomodels. CNN-PCA entails the use of convolutional neural networks as a post-processor for the low-dimensional principal component analysis representation of a geomodel. The 3D treatments presented here differ somewhat from those used in the 2D CNN-PCA proced…
PDMFC；FCT – Universidade Nova de Lisboa（新里斯本大学科学与技术学院）
Increasing the cardinality of categorical variables might decrease the overall performance of machine learning (ML) algorithms. This paper presents a novel computational preprocessing method to convert categorical to numerical variables ML algorithms. It uses a supervised binary classifier to extract additional context-related features from the categorical values. Up to two numerical variables per categorical variable are created, depending on the compression achieved by the Principal Component Analysis (PCA). The method requires two hyperparameters: a threshold related to the distribution of …
Deep autoencoders are often extended with a supervised or adversarial loss to learn latent representations with desirable properties, such as greater predictivity of labels and outcomes or fairness with respects to a sensitive variable. Despite the ubiquity of supervised and adversarial deep latent factor models, these methods should demonstrate improvement over simpler linear approaches to be preferred in practice. This necessitates a reproducible linear analog that still adheres to an augmenting supervised or adversarial objective. We address this methodological gap by presenting methods tha…
A Random Matrix Theory of Masked Self-Supervised Regression
Departement d’Informatique, École Normale Supérieure, PSL & CNRS（信息学院，巴黎社会科学高等学院，PSL与CNRS）；Department of Mathematics, University of Bologna（博洛尼亚大学数学系）；Applied Mathematics, Harvard John A. Paulson School of Engineering and Applied Sciences（应用数学，哈佛大学约翰·A·保罗森工程与应用科学学院）
PREBA: Surgical Duration Prediction via PCA-Weighted Retrieval-Augmented LLMs and Bayesian Averaging Aggregation
School of Information Science and Engineering, Yunnan University（云南大学信息科学与工程学院）；School of Computer Science, Wuhan University（武汉大学计算机学院）；Lee Kong Chian School of Medicine, Nanyang Technological University（南洋理工大学李科钦医学院）；First People’s Hospital of Yunnan Province（云南省第一人民医院）
Feature extraction and dimensionality reduction are important tasks in many fields of science dealing with signal processing and analysis. The relevance of these techniques is increasing as current sensory devices are developed with ever higher resolution, and problems involving multimodal data sources become more common. A plethora of feature extraction methods are available in the literature collectively grouped under the field of Multivariate Analysis (MVA). This paper provides a uniform treatment of several methods: Principal Component Analysis (PCA), Partial Least Squares (PLS), Canonical…
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…
Visualizing high-dimensional data is an essential task in Data Science and Machine Learning. The Centroid-Encoder (CE) method is similar to the autoencoder but incorporates label information to keep objects of a class close together in the reduced visualization space. CE exploits nonlinearity and labels to encode high variance in low dimensions while capturing the global structure of the data. We present a detailed analysis of the method using a wide variety of data sets and compare it with other supervised dimension reduction techniques, including NCA, nonlinear NCA, t-distributed NCA, t-dist…
Inception Institute of Artificial Intelligence（起源人工智能研究院）
Gleason grading from histopathology images is essential for accurate prostate cancer (PCa) diagnosis. Since such images are obtained after invasive tissue resection quick diagnosis is challenging under the existing paradigm. We propose a method to predict Gleason grades from magnetic resonance (MR) images which are non-interventional and easily acquired. We solve the problem in a generalized zero-shot learning (GZSL) setting since we may not access training images of every disease grade. Synthetic MRI feature vectors of unseen grades (classes) are generated by exploiting Gleason grades' ordere…
Department of Electrical and Computer Engineering The University of Alabama in Huntsville（阿拉巴马大学亨茨维尔分校电气与计算机工程系）
With the globalization of the semiconductor manufacturing process, electronic devices are powerless against malicious modification of hardware in the supply chain. The ever-increasing threat of hardware Trojan attacks against integrated circuits has spurred a need for accurate and efficient detection methods. Ring oscillator network (RON) is used to detect the Trojan by capturing the difference in power consumption; the power consumption of a Trojan-free circuit is different from the Trojan-inserted circuit. However, the process variation and measurement noise are the major obstacles to detect…
Lawrence Livermore National Laboratory（劳伦斯利弗莫尔国家实验室）；Center for Applied Scientific Computing（应用科学计算中心）
The autoencoder is an artificial neural network model that learns hidden representations of unlabeled data. With a linear transfer function it is similar to the principal component analysis (PCA). While both methods use weight vectors for linear transformations, the autoencoder does not come with any indication similar to the eigenvalues in PCA that are paired with the eigenvectors. We propose a novel supervised node saliency (SNS) method that ranks the hidden nodes by comparing class distributions of latent representations against a fixed reference distribution. The latent representations of …
DeepTensor is a computationally efficient framework for low-rank decomposition of matrices and tensors using deep generative networks. We decompose a tensor as the product of low-rank tensor factors (e.g., a matrix as the outer product of two vectors), where each low-rank tensor is generated by a deep network (DN) that is trained in a self-supervised manner to minimize the mean-squared approximation error. Our key observation is that the implicit regularization inherent in DNs enables them to capture nonlinear signal structures (e.g., manifolds) that are out of the reach of classical linear me…
This is a tutorial and survey paper on various methods for Sufficient Dimension Reduction (SDR). We cover these methods with both statistical high-dimensional regression perspective and machine learning approach for dimensionality reduction. We start with introducing inverse regression methods including Sliced Inverse Regression (SIR), Sliced Average Variance Estimation (SAVE), contour regression, directional regression, Principal Fitted Components (PFC), Likelihood Acquired Direction (LAD), and graphical regression. Then, we introduce forward regression methods including Principal Hessian Dir…
Google Research（谷歌研究院）；Rutgers University（罗格斯大学）；Northwestern University（西北大学）；George Mason University（乔治梅森大学）
Many machine learning systems are vulnerable to small perturbations made to inputs either at test time or at training time. This has received much recent interest on the empirical front due to applications where reliability and security are critical. However, theoretical understanding of algorithms that are robust to adversarial perturbations is limited. In this work we focus on Principal Component Analysis (PCA), a ubiquitous algorithmic primitive in machine learning. We formulate a natural robust variant of PCA where the goal is to find a low dimensional subspace to represent the given data …
Utah State University（犹他州立大学）；Université de Montréal（蒙特利尔大学）
Dimensionality reduction is often used as an initial step in data exploration, either as preprocessing for classification or regression or for visualization. Most dimensionality reduction techniques to date are unsupervised; they do not take class labels into account (e.g., PCA, MDS, t-SNE, Isomap). Such methods require large amounts of data and are often sensitive to noise that may obfuscate important patterns in the data. Various attempts at supervised dimensionality reduction methods that take into account auxiliary annotations (e.g., class labels) have been successfully implemented with go…
