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 metrics to detect potential abnormalities. The virtues of the proposed algorithm have been discussed in comparison with several unsupervised algorithms. Finally, Tennessee Eastman process and an autosuspension model are employed to demonstrate the effectiveness of the proposed scheme further.
Tsinghua University（清华大学）；Shandong University of Science and Technology（山东科技大学）
For multimode processes, one generally establishes local monitoring models corresponding to local modes. However, the significant features of previous modes may be catastrophically forgotten when a monitoring model for the current mode is built. It would result in an abrupt performance decrease. It could be an effective manner to make local monitoring model remember the features of previous modes. Choosing the principal component analysis (PCA) as a basic monitoring model, we try to resolve this problem. A modified PCA algorithm is built with continual learning ability for monitoring multimode…
Locally Linear Embedding (LLE) is a nonlinear spectral dimensionality reduction and manifold learning method. It has two main steps which are linear reconstruction and linear embedding of points in the input space and embedding space, respectively. In this work, we look at the linear reconstruction step from a stochastic perspective where it is assumed that every data point is conditioned on its linear reconstruction weights as latent factors. The stochastic linear reconstruction of LLE is solved using expectation maximization. We show that there is a theoretical connection between three funda…
Tsinghua University（清华大学）；Shandong University of Science and Technology（山东科技大学）；Linyi University（临沂大学）
This paper proposes a novel sparse principal component analysis algorithm with self-learning ability for successive modes, where synaptic intelligence is employed to measure the importance of variables and a regularization term is added to preserve the learned knowledge of previous modes. Different from traditional multimode monitoring methods, the monitoring model is updated based on the current model and new data when a new mode arrives, thus delivering prominent performance for sequential modes. Besides, the computation and storage resources are saved in the long run, because it is not nece…
Auto-Associative models cover a large class of methods used in data analysis. In this paper, we describe the generals properties of these models when the projection component is linear and we propose and test an easy to implement Probabilistic Semi-Linear Auto- Associative model in a Gaussian setting. We show it is a generalization of the PCA model to the semi-linear case. Numerical experiments on simulated datasets and a real astronomical application highlight the interest of this approach
Principal Component Analysis (PCA) is a popular tool for dimensionality reduction and feature extraction in data analysis. There is a probabilistic version of PCA, known as Probabilistic PCA (PPCA). However, standard PCA and PPCA are not robust, as they are sensitive to outliers. To alleviate this problem, this paper introduces the Self-Paced Learning mechanism into PPCA, and proposes a novel method called Self-Paced Probabilistic Principal Component Analysis (SP-PPCA). Furthermore, we design the corresponding optimization algorithm based on the alternative search strategy and the expectation-…
Network anomaly detection is a very relevant research area nowadays, especially due to its multiple applications in the field of network security. The boost of new models based on variational autoencoders and generative adversarial networks has motivated a reevaluation of traditional techniques for anomaly detection. It is, however, essential to be able to understand these new models from the perspective of the experience attained from years of evaluating network security data for anomaly detection. In this paper, we revisit anomaly detection techniques based on PCA from a probabilistic genera…
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 …
Principal component analysis (PCA) is a classical and ubiquitous method for reducing data dimensionality, but it is suboptimal for heterogeneous data that are increasingly common in modern applications. PCA treats all samples uniformly so degrades when the noise is heteroscedastic across samples, as occurs, e.g., when samples come from sources of heterogeneous quality. This paper develops a probabilistic PCA variant that estimates and accounts for this heterogeneity by incorporating it in the statistical model. Unlike in the homoscedastic setting, the resulting nonconvex optimization problem i…
Berkeley Center for Cosmological Physics（伯克利宇宙物理中心）；University of California（加利福尼亚大学）；Lawrence Berkeley National Laboratory（劳伦斯伯克利国家实验室）
Principal Component Analysis (PCA) minimizes the reconstruction error given a class of linear models of fixed component dimensionality. Probabilistic PCA adds a probabilistic structure by learning the probability distribution of the PCA latent space weights, thus creating a generative model. Autoencoders (AE) minimize the reconstruction error in a class of nonlinear models of fixed latent space dimensionality and outperform PCA at fixed dimensionality. Here, we introduce the Probabilistic Autoencoder (PAE) that learns the probability distribution of the AE latent space weights using a normaliz…
Mixtures of probabilistic principal component analysis (MPPCA) is a well-known mixture model extension of principal component analysis (PCA). Similar to PCA, MPPCA assumes the data samples in each mixture contain homoscedastic noise. However, datasets with heterogeneous noise across samples are becoming increasingly common, as larger datasets are generated by collecting samples from several sources with varying noise profiles. The performance of MPPCA is suboptimal for data with heteroscedastic noise across samples. This paper proposes a heteroscedastic mixtures of probabilistic PCA technique …
Goethe University（歌德大学）；Frankfurt Institute for Advanced Studies（法兰克福高等研究院）
We consider probabilistic PCA and related factor models from a Bayesian perspective. These models are in general not identifiable as the likelihood has a rotational symmetry. This gives rise to complicated posterior distributions with continuous subspaces of equal density and thus hinders efficiency of inference as well as interpretation of obtained parameters. In particular, posterior averages over factor loadings become meaningless and only model predictions are unambiguous. Here, we propose a parameterization based on Householder transformations, which remove the rotational symmetry of the …
Principal component analysis (PCA) is a well-established tool in machine learning and data processing. The principal axes in PCA were shown to be equivalent to the maximum marginal likelihood estimator of the factor loading matrix in a latent factor model for the observed data, assuming that the latent factors are independently distributed as standard normal distributions. However, the independence assumption may be unrealistic for many scenarios such as modeling multiple time series, spatial processes, and functional data, where the outcomes are correlated. In this paper, we introduce the gen…
We provide a probabilistic and infinitesimal view of how the principal component analysis procedure (PCA) can be generalized to analysis of nonlinear manifold valued data. Starting with the probabilistic PCA interpretation of the Euclidean PCA procedure, we show how PCA can be generalized to manifolds in an intrinsic way that does not resort to linearization of the data space. The underlying probability model is constructed by mapping a Euclidean stochastic process to the manifold using stochastic development of Euclidean semimartingales. The construction uses a connection and bundles of covar…
University of California, Santa Cruz（加利福尼亚大学圣克鲁兹分校）；Google Brain（谷歌大脑）
We shed new insights on the two commonly used updates for the online $k$-PCA problem, namely, Krasulina's and Oja's updates. We show that Krasulina's update corresponds to a projected gradient descent step on the Stiefel manifold of the orthonormal $k$-frames, while Oja's update amounts to a gradient descent step using the unprojected gradient. Following these observations, we derive a more \emph{implicit} form of Krasulina's $k$-PCA update, i.e. a version that uses the information of the future gradient as much as possible. Most interestingly, our implicit Krasulina update avoids the costly Q…
Academy of Mathematics and Systems Science, Chinese Academy of Sciences（中国科学院数学与系统科学研究院）；University of Chinese Academy of Sciences（中国科学院大学）
Principal component analysis (PCA) is one of the most widely used dimension reduction and multivariate statistical techniques. From a probabilistic perspective, PCA seeks a low-dimensional representation of data in the presence of independent identical Gaussian noise. Probabilistic PCA (PPCA) and its variants have been extensively studied for decades. Most of them assume the underlying noise follows a certain independent identical distribution. However, the noise in the real world is usually complicated and structured. To address this challenge, some variants of PCA for data with non-IID noise…
University of California San Diego（加州大学圣迭戈分校）；Université de Sherbrooke（舍布鲁克大学）
We present a system for localizing sound sources in a room with several ad-hoc microphone arrays. Each circular array performs direction of arrival (DOA) estimation independently using commercial software. The DOAs are fed to a fusion center, concatenated, and used to perform the localization based on two proposed methods, which require only few labeled source locations (anchor points) for training. The first proposed method is based on principal component analysis (PCA) of the observed DOA and does not require any knowledge of anchor points. The array cluster can then perform localization on …
Center for Advanced Intelligence Project RIKEN（理化学研究所先进智能项目中心）
We present a method to compute the Shapley values of reconstruction errors of principal component analysis (PCA), which is particularly useful in explaining the results of anomaly detection based on PCA. Because features are usually correlated when PCA-based anomaly detection is applied, care must be taken in computing a value function for the Shapley values. We utilize the probabilistic view of PCA, particularly its conditional distribution, to exactly compute a value function for the Shapely values. We also present numerical examples, which imply that the Shapley values are advantageous for …
High dimensional data has introduced challenges that are difficult to address when attempting to implement classical approaches of statistical process control. This has made it a topic of interest for research due in recent years. However, in many cases, data sets have underlying structures, such as in advanced manufacturing systems. If extracted correctly, efficient methods for process control can be developed. This paper proposes a robust sparse dimensionality reduction approach for correlated high-dimensional process monitoring to address the aforementioned issues. The developed monitoring …
Accurate predictions of pollutant concentrations at new locations are often of interest in air pollution studies on fine particulate matters (PM$_{2.5}$), in which data is usually not measured at all study locations. PM$_{2.5}$ is also a mixture of many different chemical components. Principal component analysis (PCA) can be incorporated to obtain lower-dimensional representative scores of such multi-pollutant data. Spatial prediction can then be used to estimate these scores at new locations. Recently developed predictive PCA modifies the traditional PCA algorithm to obtain scores with spatia…
Monitoring multichannel profiles has important applications in manufacturing systems improvement, but it is non-trivial to develop efficient statistical methods due to two main challenges. First, profiles are high-dimensional functional data with intrinsic inner- and inter-channel correlations, and one needs to develop a dimension reduction method that can deal with such intricate correlations for the purpose of effective monitoring. The second, and probably more fundamental, challenge is that the functional structure of multi-channel profiles might change over time, and thus the dimension red…
Principal component analysis (PCA) is largely adopted for chemical process monitoring and numerous PCA-based systems have been developed to solve various fault detection and diagnosis problems. Since PCA-based methods assume that the monitored process is linear, nonlinear PCA models, such as autoencoder models and kernel principal component analysis (KPCA), has been proposed and applied to nonlinear process monitoring. However, KPCA-based methods need to perform eigen-decomposition (ED) on the kernel Gram matrix whose dimensions depend on the number of training data. Moreover, prefixed kernel …
Institut de Mathématiques de Bourgogne（勃艮第数学研究所）；Université de Bourgogne Franche Comté（勃艮第-弗朗什孔泰大学）；DePaul University（德保罗大学）
In the current context of data explosion, online techniques that do not require storing all data in memory are indispensable to routinely perform tasks like principal component analysis (PCA). Recursive algorithms that update the PCA with each new observation have been studied in various fields of research and found wide applications in industrial monitoring, computer vision, astronomy, and latent semantic indexing, among others. This work provides guidance for selecting an online PCA algorithm in practice. We present the main approaches to online PCA, namely, perturbation techniques, incremen…
Sparse Principal Component Analysis (PCA) is a dimensionality reduction technique wherein one seeks a low-rank representation of a data matrix with additional sparsity constraints on the obtained representation. We consider two probabilistic formulations of sparse PCA: a spiked Wigner and spiked Wishart (or spiked covariance) model. We analyze an Approximate Message Passing (AMP) algorithm to estimate the underlying signal and show, in the high dimensional limit, that the AMP estimates are information-theoretically optimal. As an immediate corollary, our results demonstrate that the posterior …
Helsinki Institute for Information Technology（赫尔辛基信息技术研究所）；University of Ljubljana（卢布尔雅那大学）
Methods for analysis of principal components in discrete data have existed for some time under various names such as grade of membership modelling, probabilistic latent semantic analysis, and genotype inference with admixture. In this paper we explore a number of extensions to the common theory, and present some application of these methods to some common statistical tasks. We show that these methods can be interpreted as a discrete version of ICA. We develop a hierarchical version yielding components at different levels of detail, and additional techniques for Gibbs sampling. We compare the a…
University of Twente（特文特大学）；Imperial College London（帝国理工学院）
We present a unifying framework which reduces the construction of probabilistic component analysis techniques to a mere selection of the latent neighbourhood, thus providing an elegant and principled framework for creating novel component analysis models as well as constructing probabilistic equivalents of deterministic component analysis methods. Under our framework, we unify many very popular and well-studied component analysis algorithms, such as Principal Component Analysis (PCA), Linear Discriminant Analysis (LDA), Locality Preserving Projections (LPP) and Slow Feature Analysis (SFA), som…
This is a tutorial and survey paper on factor analysis, probabilistic Principal Component Analysis (PCA), variational inference, and Variational Autoencoder (VAE). These methods, which are tightly related, are dimensionality reduction and generative models. They assume that every data point is generated from or caused by a low-dimensional latent factor. By learning the parameters of distribution of latent space, the corresponding low-dimensional factors are found for the sake of dimensionality reduction. For their stochastic and generative behaviour, these models can also be used for generatio…
Lawrence Livermore National Laboratory（劳伦斯利弗莫尔国家实验室）；Sandia National Laboratories（桑迪亚国家实验室）
Principal component analysis (PCA) is arguably the most popular tool in multivariate exploratory data analysis. In this paper, we consider the question of how to handle heterogeneous variables that include continuous, binary, and ordinal. In the probabilistic interpretation of low-rank PCA, the data has a normal multivariate distribution and, therefore, normal marginal distributions for each column. If some marginals are continuous but not normal, the semiparametric copula-based principal component analysis (COCA) method is an alternative to PCA that combines a Gaussian copula with nonparametr…
When applying principal component analysis (PCA) for dimension reduction, the most varying projections are usually used in order to retain most of the information. For the purpose of anomaly and change detection, however, the least varying projections are often the most important ones. In this article, we present a novel method that automatically tailors the choice of projections to monitor for sparse changes in the mean and/or covariance matrix of high-dimensional data. A subset of the least varying projections is almost always selected based on a criteria of the projection's sensitivity to c…
University of Tsukuba（筑波大学）；The Institute of Statistical Mathematics（统计数理研究所）
Principal component analysis (PCA) is a widely used method for data processing, such as for dimension reduction and visualization. Standard PCA is known to be sensitive to outliers, and thus, various robust PCA methods have been proposed. It has been shown that the robustness of many statistical methods can be improved using mode estimation instead of mean estimation, because mode estimation is not significantly affected by the presence of outliers. Thus, this study proposes a modal principal component analysis (MPCA), which is a robust PCA method based on mode estimation. The proposed method …
How does missing data affect our ability to learn signal structures? It has been shown that learning signal structure in terms of principal components is dependent on the ratio of sample size and dimensionality and that a critical number of observations is needed before learning starts (Biehl and Mietzner, 1993). Here we generalize this analysis to include missing data. Probabilistic principal component analysis is regularly used for estimating signal structures in datasets with missing data. Our analytic result suggests that the effect of missing data is to effectively reduce signal-to-noise …
Count data is becoming more and more ubiquitous in a wide range of applications, with datasets growing both in size and in dimension. In this context, an increasing amount of work is dedicated to the construction of statistical models directly accounting for the discrete nature of the data. Moreover, it has been shown that integrating dimension reduction to clustering can drastically improve performance and stability. In this paper, we rely on the mixture of multinomial PCA, a mixture model for the clustering of count data, also known as the probabilistic clustering-projection model in the lit…
University of Sheffield（谢菲尔德大学）；Sheffield Institute for Translational Neuroscience（谢菲尔德转化神经科学研究所）
Probabilistic principal component analysis (PPCA) seeks a low dimensional representation of a data set in the presence of independent spherical Gaussian noise. The maximum likelihood solution for the model is an eigenvalue problem on the sample covariance matrix. In this paper we consider the situation where the data variance is already partially explained by other actors, for example sparse conditional dependencies between the covariates, or temporal correlations leaving some residual variance. We decompose the residual variance into its components through a generalised eigenvalue problem, wh…
Real-Time Structural Health Monitoring with Bayesian Neural Networks: Distinguishing Aleatoric and Epistemic Uncertainty for Digital Twin Frameworks
Korea Advanced Institute of Science and Technology (KAIST)（韩国科学技术院（KAIST））；Korea Institute of Industrial Technology（韩国产业技术研究院）；Kyungpook National University（庆北国立大学）；Korea University of Technology and Education（韩国技术教育大学）
Wide accessibility of imaging and profile sensors in modern industrial systems created an abundance of high-dimensional sensing variables. This led to a a growing interest in the research of high-dimensional process monitoring. However, most of the approaches in the literature assume the in-control population to lie on a linear manifold with a given basis (i.e., spline, wavelet, kernel, etc) or an unknown basis (i.e., principal component analysis and its variants), which cannot be used to efficiently model profiles with a nonlinear manifold which is common in many real-life cases. We propose d…
It was recently shown how graphs can be used to provide descriptions of psychopathologies, where symptoms of, say, depression, affect each other and certain configurations determine whether someone could fall into a sudden depression. To analyse changes over time and characterise possible future behaviour is rather difficult for large graphs. We describe the dynamics of networks using one-dimensional discrete time dynamical systems theory obtained from a mean field approach to (elementary) probabilistic cellular automata (PCA). Often the mean field approach is used on a regular graph (a grid o…
Aston University（阿斯顿大学）；Radboud University（拉德堡德大学）；Massachussetts Institute of Technology（麻省理工学院）
Using the linear Gaussian latent variable model as a starting point we relax some of the constraints it imposes by deriving a nonparametric latent feature Gaussian variable model. This model introduces additional discrete latent variables to the original structure. The Bayesian nonparametric nature of this new model allows it to adapt complexity as more data is observed and project each data point onto a varying number of subspaces. The linear relationship between the continuous latent and observed variables make the proposed model straightforward to interpret, resembling a locally adaptive pr…
In this paper, we propose a new method to perform Sparse Kernel Principal Component Analysis (SKPCA) and also mathematically analyze the validity of SKPCA. We formulate SKPCA as a constrained optimization problem with elastic net regularization (Hastie et al.) in kernel feature space and solve it. We consider outlier detection (where KPCA is employed) as an application for SKPCA, using the RBF kernel. We test it on 5 real-world datasets and show that by using just 4% (or even less) of the principal components (PCs), where each PC has on average less than 12% non-zero elements in the worst case…
Stanford University（斯坦福大学）；Broad Institute of MIT and Harvard（麻省理工学院与哈佛大学布罗德研究所）
Autoencoders are a deep learning model for representation learning. When trained to minimize the distance between the data and its reconstruction, linear autoencoders (LAEs) learn the subspace spanned by the top principal directions but cannot learn the principal directions themselves. In this paper, we prove that $L_2$-regularized LAEs are symmetric at all critical points and learn the principal directions as the left singular vectors of the decoder. We smoothly parameterize the critical manifold and relate the minima to the MAP estimate of probabilistic PCA. We illustrate these results empir…
Traditional process monitoring methods, such as PCA, PLS, ICA, MD et al., are strongly dependent on continuous variables because most of them inevitably involve Euclidean or Mahalanobis distance. With industrial processes becoming more and more complex and integrated, binary variables also appear in monitoring variables besides continuous variables, which makes process monitoring more challenging. The aforementioned traditional approaches are incompetent to mine the information of binary variables, so that the useful information contained in them is usually discarded during the data preprocess…
Lehigh University（理海大学）；University of Virginia（弗吉尼亚大学）
Dimensionality reduction on Riemannian manifolds is challenging due to the complex nonlinear data structures. While probabilistic principal geodesic analysis~(PPGA) has been proposed to generalize conventional principal component analysis (PCA) onto manifolds, its effectiveness is limited to data with a single modality. In this paper, we present a novel Gaussian latent variable model that provides a unique way to integrate multiple PGA models into a maximum-likelihood framework. This leads to a well-defined mixture model of probabilistic principal geodesic analysis (MPPGA) on sub-populations, …
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…
Generalized Compressed Sensing for Image Reconstruction with Diffusion Probabilistic Models
Janelia Research Campus, Howard Hughes Medical Institute（贾勒尼亚研究campus，霍华德·休斯医学研究所）；Flatiron Institute, Simons Foundation（Flatiron研究所，Simons基金会）；New York University（纽约大学）；University of Pennsylvania（宾夕法尼亚大学）
Highly robust factored principal component analysis for matrix-valued outlier accommodation and explainable detection via matrix minimum covariance determinant
Modern population genetics studies typically involve genome-wide genotyping of individuals from a diverse network of ancestries. An important, unsolved problem is how to formulate and estimate probabilistic models of observed genotypes that allow for complex population structure. We formulate two general probabilistic models, and we propose computationally efficient algorithms to estimate them. First, we show how principal component analysis (PCA) can be utilized to estimate a general model that includes the well-known Pritchard-Stephens-Donnelly mixed-membership model as a special case. Notin…
In the era of big data, reducing data dimensionality is critical in many areas of science. Widely used Principal Component Analysis (PCA) addresses this problem by computing a low dimensional data embedding that maximally explain variance of the data. However, PCA has two major weaknesses. Firstly, it only considers linear correlations among variables (features), and secondly it is not suitable for categorical data. We resolve these issues by proposing Maximally Correlated Principal Component Analysis (MCPCA). MCPCA computes transformations of variables whose covariance matrix has the largest …
