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In this reproduction study, we revisit recent claims that self-attention implements kernel principal component analysis (KPCA) (Teo et al., 2024), positing that (i) value vectors $V$ capture the eigenvectors of the Gram matrix of the keys,…

Machine Learning · Computer Science 2025-05-14 Karahan Sarıtaş , Çağatay Yıldız

We study attention mechanisms through the lens of a canonical unsupervised problem: principal component analysis (PCA). We show that, when trained on Gaussian data, both softmax and linear attention layers learn parameters that align with…

Optimization and Control · Mathematics 2026-05-19 Rodrigo Maulen-Soto , Claire Boyer

The self-attention mechanism, a cornerstone of Transformer-based state-of-the-art deep learning architectures, is largely heuristic-driven and fundamentally challenging to interpret. Establishing a robust theoretical foundation to explain…

Computer Vision and Pattern Recognition · Computer Science 2026-02-10 Laziz U. Abdullaev , Maksim Tkachenko , Tan M. Nguyen

Recent advances in Transformer architectures have empowered their empirical success in a variety of tasks across different domains. However, existing works mainly focus on predictive accuracy and computational cost, without considering…

Machine Learning · Computer Science 2023-11-09 Xing Han , Tongzheng Ren , Tan Minh Nguyen , Khai Nguyen , Joydeep Ghosh , Nhat Ho

Motivated by the recently shown connection between self-attention and (kernel) principal component analysis (PCA), we revisit the fundamentals of PCA. Using the difference-of-convex (DC) framework, we present several novel formulations and…

Machine Learning · Computer Science 2025-10-22 Jan Quan , Johan Suykens , Panagiotis Patrinos

The self-attention mechanism has significantly advanced the field of natural language processing, facilitating the development of advanced language-learning machines. Although its utility is widely acknowledged, the precise mechanisms of…

Computation and Language · Computer Science 2026-02-04 Tal Halevi , Yarden Tzach , Ronit D. Gross , Shalom Rosner , Ido Kanter

Principal Component Analysis (PCA) is a popular method for dimension reduction and has attracted an unfailing interest for decades. More recently, kernel PCA (KPCA) has emerged as an extension of PCA but, despite its use in practice, a…

Machine Learning · Computer Science 2023-01-25 Maxime Haddouche , Benjamin Guedj , John Shawe-Taylor

Principal Component Analysis (PCA) and its nonlinear extension Kernel PCA (KPCA) are widely used across science and industry for data analysis and dimensionality reduction. Modern deep learning tools have achieved great empirical success,…

Machine Learning · Computer Science 2023-02-23 Francesco Tonin , Qinghua Tao , Panagiotis Patrinos , Johan A. K. Suykens

Many pattern recognition methods rely on statistical information from centered data, with the eigenanalysis of an empirical central moment, such as the covariance matrix in principal component analysis (PCA), as well as partial least…

Machine Learning · Statistics 2014-07-11 Paul Honeine

Transformer-based language models are trained on large datasets to predict the next token given an input sequence. Despite this simple training objective, they have led to revolutionary advances in natural language processing. Underlying…

Machine Learning · Computer Science 2024-03-14 Yingcong Li , Yixiao Huang , M. Emrullah Ildiz , Ankit Singh Rawat , Samet Oymak

The success of the self-attention mechanism in classical machine learning models has inspired the development of quantum analogs aimed at reducing computational overhead. Self-attention integrates learnable query and key matrices to…

Principal component analysis has been widely adopted to reduce the dimension of data while preserving the information. The quantum version of PCA (qPCA) can be used to analyze an unknown low-rank density matrix by rapidly revealing the…

Quantum Physics · Physics 2022-01-26 Zhaokai Li , Zihua Chai , Yuhang Guo , Wentao Ji , Mengqi Wang , Fazhan Shi , Ya Wang , Seth Lloyd , Jiangfeng Du

Attention mechanisms have raised significant interest in the research community, since they promise significant improvements in the performance of neural network architectures. However, in any specific problem, we still lack a principled…

Computer Vision and Pattern Recognition · Computer Science 2021-12-24 Rafael Pedro , Arlindo L. Oliveira

Principal Component Analysis (PCA) is a fundamental tool for data visualization, denoising, and dimensionality reduction. It is widely popular in Statistics, Machine Learning, Computer Vision, and related fields. However, PCA is well-known…

Machine Learning · Statistics 2023-07-21 Debolina Paul , Saptarshi Chakraborty , Swagatam Das

The present paper applied Principal Component Analysis (PCA) for grouping of machines and parts so that the part families can be processed in the cells formed by those associated machines. An incidence matrix with binary entries has been…

Adaptation and Self-Organizing Systems · Physics 2012-02-27 Manojit Chattopadhyay , Surajit Chattopadhyay , Pranab K Dan

Principal Component Analysis (PCA) finds a linear mapping and maximizes the variance of the data which makes PCA sensitive to outliers and may cause wrong eigendirection. In this paper, we propose techniques to solve this problem; we use…

Artificial Intelligence · Computer Science 2012-07-03 Peratham Wiriyathammabhum , Boonserm Kijsirikul

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…

Machine Learning · Statistics 2022-08-03 Benyamin Ghojogh , Mark Crowley

Self-attention is usually described as a flexible, content-adaptive way to mix a token with information from its past. We reinterpret causal self-attention transformers, the backbone of modern foundation models, within a probabilistic…

Machine Learning · Computer Science 2026-03-24 Deepak Agarwal , Dhyey Dharmendrakumar Mavani , Suyash Gupta , Karthik Sethuraman , Tejas Dharamsi

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…

Machine Learning · Computer Science 2017-12-13 Haitao Zhao

Self-attention is a useful mechanism to build generative models for language and images. It determines the importance of context elements by comparing each element to the current time step. In this paper, we show that a very lightweight…

Computation and Language · Computer Science 2019-02-26 Felix Wu , Angela Fan , Alexei Baevski , Yann N. Dauphin , Michael Auli
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