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 Principal Component Analysis


Nonlinear Laplacians: Tunable principal component analysis under directional prior information

arXiv.org Machine Learning

We introduce a new family of algorithms for detecting and estimating a rank-one signal from a noisy observation under prior information about that signal's direction, focusing on examples where the signal is known to have entries biased to be positive. Given a matrix observation $\mathbf{Y}$, our algorithms construct a nonlinear Laplacian, another matrix of the form $\mathbf{Y} + \mathrm{diag}(ฯƒ(\mathbf{Y}\mathbf{1}))$ for a nonlinear $ฯƒ: \mathbb{R} \to \mathbb{R}$, and examine the top eigenvalue and eigenvector of this matrix. When $\mathbf{Y}$ is the (suitably normalized) adjacency matrix of a graph, our approach gives a class of algorithms that search for unusually dense subgraphs by computing a spectrum of the graph "deformed" by the degree profile $\mathbf{Y}\mathbf{1}$. We study the performance of such algorithms compared to direct spectral algorithms (the case $ฯƒ= 0$) on models of sparse principal component analysis with biased signals, including the Gaussian planted submatrix problem. For such models, we rigorously characterize the critical threshold strength of rank-one signal, as a function of the nonlinearity $ฯƒ$, at which an outlier eigenvalue appears in the spectrum of a nonlinear Laplacian. While identifying the $ฯƒ$ that minimizes this critical signal strength in closed form seems intractable, we explore three approaches to design $ฯƒ$ numerically: exhaustively searching over simple classes of $ฯƒ$, learning $ฯƒ$ from datasets of problem instances, and tuning $ฯƒ$ using black-box optimization of the critical signal strength. We find both theoretically and empirically that, if $ฯƒ$ is chosen appropriately, then nonlinear Laplacian spectral algorithms substantially outperform direct spectral algorithms, while avoiding the complexity of broader classes of algorithms like approximate message passing or general first order methods.


Online Functional Principal Component Analysis on a Multidimensional Domain

arXiv.org Machine Learning

Multidimensional functional data streams arise in diverse scientific fields, yet their analysis poses significant challenges. We propose a novel online framework for functional principal component analysis that enables efficient and scalable modeling of such data. Our method represents functional principal components using tensor product splines, enforcing smoothness and orthonormality through a penalized framework on a Stiefel manifold. An efficient Riemannian stochastic gradient descent algorithm is developed, with extensions inspired by adaptive moment estimation and averaging techniques to accelerate convergence. Additionally, a dynamic tuning strategy for smoothing parameter selection is developed based on a rolling averaged block validation score that adapts to the streaming nature of the data. Extensive simulations and real-world applications demonstrate the flexibility and effectiveness of this framework for analyzing multidimensional functional data.


Outlier-aware Tensor Robust Principal Component Analysis with Self-guided Data Augmentation

arXiv.org Artificial Intelligence

Tensor Robust Principal Component Analysis (TRPCA) is a fundamental technique for decomposing multi-dimensional data into a low-rank tensor and an outlier tensor, yet existing methods relying on sparse outlier assumptions often fail under structured corruptions. In this paper, we propose a self-guided data augmentation approach that employs adaptive weighting to suppress outlier influence, reformulating the original TRPCA problem into a standard Tensor Principal Component Analysis (TPCA) problem. The proposed model involves an optimization-driven weighting scheme that dynamically identifies and downweights outlier contributions during tensor augmentation. We develop an efficient proximal block coordinate descent algorithm with closed-form updates to solve the resulting optimization problem, ensuring computational efficiency. Theoretical convergence is guaranteed through a framework combining block coordinate descent with majorization-minimization principles. Numerical experiments on synthetic and real-world datasets, including face recovery, background subtraction, and hyperspectral denoising, demonstrate that our method effectively handles various corruption patterns. The results show the improvements in both accuracy and computational efficiency compared to state-of-the-art methods.


QAOA-PCA: Enhancing Efficiency in the Quantum Approximate Optimization Algorithm via Principal Component Analysis

arXiv.org Artificial Intelligence

The Quantum Approximate Optimization Algorithm (QAOA) is a promising variational algorithm for solving combinatorial optimization problems on near-term devices. However, as the number of layers in a QAOA circuit increases, which is correlated with the quality of the solution, the number of parameters to optimize grows linearly. This results in more iterations required by the classical optimizer, which results in an increasing computational burden as more circuit executions are needed. To mitigate this issue, we introduce QAOA-PCA, a novel reparameterization technique that employs Principal Component Analysis (PCA) to reduce the dimensionality of the QAOA parameter space. By extracting principal components from optimized parameters of smaller problem instances, QAOA-PCA facilitates efficient optimization with fewer parameters on larger instances. Our empirical evaluation on the prominent MaxCut problem demonstrates that QAOA-PCA consistently requires fewer iterations than standard QAOA, achieving substantial efficiency gains. While this comes at the cost of a slight reduction in approximation ratio compared to QAOA with the same number of layers, QAOA-PCA almost always outperforms standard QAOA when matched by parameter count. QAOA-PCA strikes a favorable balance between efficiency and performance, reducing optimization overhead without significantly compromising solution quality.


PCA-RAG: Principal Component Analysis for Efficient Retrieval-Augmented Generation

arXiv.org Machine Learning

Retrieval-Augmented Generation (RAG) has emerged as a powerful paradigm for grounding large language models in external knowledge sources, improving the precision of agents responses. However, high-dimensional language model embeddings, often in the range of hundreds to thousands of dimensions, can present scalability challenges in terms of storage and latency, especially when processing massive financial text corpora. This paper investigates the use of Principal Component Analysis (PCA) to reduce embedding dimensionality, thereby mitigating computational bottlenecks without incurring large accuracy losses. We experiment with a real-world dataset and compare different similarity and distance metrics under both full-dimensional and PCA-compressed embeddings. Our results show that reducing vectors from 3,072 to 110 dimensions provides a sizeable (up to $60\times$) speedup in retrieval operations and a $\sim 28.6\times$ reduction in index size, with only moderate declines in correlation metrics relative to human-annotated similarity scores. These findings demonstrate that PCA-based compression offers a viable balance between retrieval fidelity and resource efficiency, essential for real-time systems such as Zanista AI's \textit{Newswitch} platform. Ultimately, our study underscores the practicality of leveraging classical dimensionality reduction techniques to scale RAG architectures for knowledge-intensive applications in finance and trading, where speed, memory efficiency, and accuracy must jointly be optimized.


Principal Component Analysis When n < p: Challenges and Solutions

arXiv.org Machine Learning

Principal Component Analysis is a key technique for reducing the complexity of high-dimensional data while preserving its fundamental data structure, ensuring models remain stable and interpretable. This is achieved by transforming the original variables into a new set of uncorrelated variables (principal components) based on the covariance structure of the original variables. However, since the traditional maximum likelihood covariance estimator does not accurately converge to the true covariance matrix, the standard principal component analysis performs poorly as a dimensionality reduction technique in high-dimensional scenarios $n


Nonlinear Principal Component Analysis with Random Bernoulli Features for Process Monitoring

arXiv.org Machine Learning

The process generates substantial amounts of data with highly complex structures, leading to the development of numerous nonlinear statistical methods. However, most of these methods rely on computations involving large-scale dense kernel matrices. This dependence poses significant challenges in meeting the high computational demands and real-time responsiveness required by online monitoring systems. To alleviate the computational burden of dense large-scale matrix multiplication, we incorporate the bootstrap sampling concept into random feature mapping and propose a novel random Bernoulli principal component analysis method to efficiently capture nonlinear patterns in the process. We derive a convergence bound for the kernel matrix approximation constructed using random Bernoulli features, ensuring theoretical robustness. Subsequently, we design four fast process monitoring methods based on random Bernoulli principal component analysis to extend its nonlinear capabilities for handling diverse fault scenarios. Finally, numerical experiments and real-world data analyses are conducted to evaluate the performance of the proposed methods. Results demonstrate that the proposed methods offer excellent scalability and reduced computational complexity, achieving substantial cost savings with minimal performance loss compared to traditional kernel-based approaches.


Robust Multilinear Principal Component Analysis

arXiv.org Machine Learning

Multilinear Principal Component Analysis (MPCA) is an important tool for analyzing tensor data. It performs dimension reduction similar to PCA for multivariate data. However, standard MPCA is sensitive to outliers. It is highly influenced by observations deviating from the bulk of the data, called casewise outliers, as well as by individual outlying cells in the tensors, so-called cellwise outliers. This latter type of outlier is highly likely to occur in tensor data, as tensors typically consist of many cells. This paper introduces a novel robust MPCA method that can handle both types of outliers simultaneously, and can cope with missing values as well. This method uses a single loss function to reduce the influence of both casewise and cellwise outliers. The solution that minimizes this loss function is computed using an iteratively reweighted least squares algorithm with a robust initialization. Graphical diagnostic tools are also proposed to identify the different types of outliers that have been found by the new robust MPCA method. The performance of the method and associated graphical displays is assessed through simulations and illustrated on two real datasets.


The Distributionally Robust Optimization Model of Sparse Principal Component Analysis

arXiv.org Machine Learning

We consider sparse principal component analysis (PCA) under a stochastic setting where the underlying probability distribution of the random parameter is uncertain. This problem is formulated as a distributionally robust optimization (DRO) model based on a constructive approach to capturing uncertainty in the covariance matrix, which constitutes a nonsmooth constrained min-max optimization problem. We further prove that the inner maximization problem admits a closed-form solution, reformulating the original DRO model into an equivalent minimization problem on the Stiefel manifold. This transformation leads to a Riemannian optimization problem with intricate nonsmooth terms, a challenging formulation beyond the reach of existing algorithms. To address this issue, we devise an efficient smoothing manifold proximal gradient algorithm. We prove the Riemannian gradient consistency and global convergence of our algorithm to a stationary point of the nonsmooth minimization problem. Moreover, we establish the iteration complexity of our algorithm. Finally, numerical experiments are conducted to validate the effectiveness and scalability of our algorithm, as well as to highlight the necessity and rationality of adopting the DRO model for sparse PCA.


Provable Model-Parallel Distributed Principal Component Analysis with Parallel Deflation

arXiv.org Artificial Intelligence

We study a distributed Principal Component Analysis (PCA) framework where each worker targets a distinct eigenvector and refines its solution by updating from intermediate solutions provided by peers deemed as "superior". Drawing intuition from the deflation method in centralized eigenvalue problems, our approach breaks the sequential dependency in the deflation steps and allows asynchronous updates of workers, while incurring only a small communication cost. To our knowledge, a gap in the literature -- the theoretical underpinning of such distributed, dynamic interactions among workers -- has remained unaddressed. This paper offers a theoretical analysis explaining why, how, and when these intermediate, hierarchical updates lead to practical and provable convergence in distributed environments. Despite being a theoretical work, our prototype implementation demonstrates that such a distributed PCA algorithm converges effectively and in scalable way: through experiments, our proposed framework offers comparable performance to EigenGame-$\mu$, the state-of-the-art model-parallel PCA solver.