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Machine-learning-based interatomic potential energy surface (PES) models are revolutionizing the field of molecular modeling. However, although much faster than electronic structure schemes, these models suffer from costly computations via…

Computational Physics · Physics 2022-08-08 Denghui Lu , Wanrun Jiang , Yixiao Chen , Linfeng Zhang , Weile Jia , Han Wang , Mohan Chen

Dimensionality reduction is a fundamental technique in machine learning and data analysis, enabling efficient representation and visualization of high-dimensional data. This paper explores five key methods: Principal Component Analysis…

Other Statistics · Statistics 2025-02-19 Yuan-chin Ivan Chang

Given a sample covariance matrix, we examine the problem of maximizing the variance explained by a linear combination of the input variables while constraining the number of nonzero coefficients in this combination. This is known as sparse…

Optimization and Control · Mathematics 2010-12-24 Youwei Zhang , Alexandre d'Aspremont , Laurent El Ghaoui

When synthesizing multi-source high-dimensional data, a key objective is to extract low-dimensional representations that effectively approximate the original features across different sources. Such representations facilitate the discovery…

Machine Learning · Computer Science 2026-03-10 Zhenyu Wang , Molei Liu , Jing Lei , Francis Bach , Zijian Guo

In this paper, we address strongly convex programming for princi- pal component pursuit with reduced linear measurements, which decomposes a superposition of a low-rank matrix and a sparse matrix from a small set of linear measurements. We…

Information Theory · Computer Science 2012-09-21 Qingshan You , Qun Wan , Yipeng Liu

We present a new deep supervised learning method for intrinsic decomposition of a single image into its albedo and shading components. Our contributions are based on a new fully convolutional neural network that estimates absolute albedo…

Computer Vision and Pattern Recognition · Computer Science 2018-03-21 Louis Lettry , Kenneth Vanhoey , Luc Van Gool

A first proposal of a sparse and cellwise robust PCA method is presented. Robustness to single outlying cells in the data matrix is achieved by substituting the squared loss function for the approximation error by a robust version. The…

Computation · Statistics 2024-08-29 Pia Pfeiffer , Laura Vana-Gür , Peter Filzmoser

In this paper, we study the problem of decomposing a superposition of a low-rank matrix and a sparse matrix when a relatively few linear measurements are available. This problem arises in many data processing tasks such as aligning multiple…

Information Theory · Computer Science 2012-03-01 Arvind Ganesh , Kerui Min , John Wright , Yi Ma

Domain adaptation is a popular paradigm in modern machine learning which aims at tackling the problem of divergence (or shift) between the labeled training and validation datasets (source domain) and a potentially large unlabeled dataset…

Machine Learning · Computer Science 2023-11-10 Evgeny M Mirkes , Jonathan Bac , Aziz Fouché , Sergey V. Stasenko , Andrei Zinovyev , Alexander N. Gorban

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…

Machine Learning · Computer Science 2021-08-10 Jingxin Zhang , Donghua Zhou , Maoyin Chen

It is well known that Principal Component Analysis (PCA) is strongly affected by outliers and a lot of effort has been put into robustification of PCA. In this paper we present a new algorithm for robust PCA minimizing the trimmed…

Machine Learning · Statistics 2015-06-02 Anastasia Podosinnikova , Simon Setzer , Matthias Hein

We show that discrete synaptic weights can be efficiently used for learning in large scale neural systems, and lead to unanticipated computational performance. We focus on the representative case of learning random patterns with binary…

Disordered Systems and Neural Networks · Physics 2015-09-21 Carlo Baldassi , Alessandro Ingrosso , Carlo Lucibello , Luca Saglietti , Riccardo Zecchina

We introduce an acceleration for covariance matrix adaptation evolution strategies (CMA-ES) by means of adaptive diagonal decoding (dd-CMA). This diagonal acceleration endows the default CMA-ES with the advantages of separable CMA-ES…

Neural and Evolutionary Computing · Computer Science 2019-05-16 Youhei Akimoto , Nikolaus Hansen

The remarkable success of transformers in sequence modeling tasks, spanning various applications in natural language processing and computer vision, is attributed to the critical role of self-attention. Similar to the development of most…

Machine Learning · Computer Science 2024-11-01 Rachel S. Y. Teo , Tan M. Nguyen

Robust principal component analysis (RPCA) seeks a low-rank component and a sparse component from their summation. Yet, in many applications of interest, the sparse foreground actually replaces, or occludes, elements from the low-rank…

Computer Vision and Pattern Recognition · Computer Science 2026-04-23 Yinjian Wang , Wei Li , Yuanyuan Gui , James E. Fowler , Gemine Vivone

We analyze the decomposition of a data matrix, assumed to be a superposition of a low-rank component and a component which is sparse in a known dictionary, using a convex demixing method. We provide a unified analysis, encompassing both…

Machine Learning · Computer Science 2019-02-22 Sirisha Rambhatla , Xingguo Li , Jarvis Haupt

Principal Component Analysis (PCA) is a widely utilized technique for dimensionality reduction; however, its inherent lack of interpretability-stemming from dense linear combinations of all feature-limits its applicability in many domains.…

Machine Learning · Computer Science 2025-04-01 Loc Hoang Tran

Principal components analysis (PCA) is the optimal linear auto-encoder of data, and it is often used to construct features. Enforcing sparsity on the principal components can promote better generalization, while improving the…

Machine Learning · Computer Science 2015-02-25 Malik Magdon-Ismail , Christos Boutsidis

Principal component regression (PCR) is a simple, but powerful and ubiquitously utilized method. Its effectiveness is well established when the covariates exhibit low-rank structure. However, its ability to handle settings with noisy,…

Machine Learning · Computer Science 2021-05-20 Anish Agarwal , Devavrat Shah , Dennis Shen , Dogyoon Song

Fan et al. [$\mathit{Annals}$ $\mathit{of}$ $\mathit{Statistics}$ $\textbf{47}$(6) (2019) 3009-3031] constructed a distributed principal component analysis (PCA) algorithm to reduce the communication cost between multiple servers…

Statistics Theory · Mathematics 2021-10-07 Kangqiang Li , Han Bao , Lixin Zhang
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