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Machine learning (ML) is rapidly transforming the way molecular dynamics simulations are performed and analyzed, from materials modeling to studies of protein folding and function. ML algorithms are often employed to learn low-dimensional…

Soft Condensed Matter · Physics 2025-09-23 Jayashrita Debnath , Gerhard Hummer

An analysis of high-dimensional data can offer a detailed description of a system but is often challenged by the curse of dimensionality. General dimensionality reduction techniques can alleviate such difficulty by extracting a few…

Methodology · Statistics 2021-09-28 Di Bo , Hoon Hwangbo , Vinit Sharma , Corey Arndt , Stephanie C. TerMaath

In several applications, input samples are more naturally represented in terms of similarities between each other, rather than in terms of feature vectors. In these settings, machine-learning algorithms can become very computationally…

Computer Vision and Pattern Recognition · Computer Science 2017-12-19 Ambra Demontis , Marco Melis , Battista Biggio , Giorgio Fumera , Fabio Roli

We propose a communication-efficient distributed estimation method for sparse linear discriminant analysis (LDA) in the high dimensional regime. Our method distributes the data of size $N$ into $m$ machines, and estimates a local sparse LDA…

Machine Learning · Statistics 2016-10-18 Lu Tian , Quanquan Gu

Sparse random projection (RP) is a popular tool for dimensionality reduction that shows promising performance with low computational complexity. However, in the existing sparse RP matrices, the positions of non-zero entries are usually…

Machine Learning · Computer Science 2020-02-10 Li Chen , Shuizheng Zhou , Jiajun Ma

We propose a method for estimating a covariance matrix that can be represented as a sum of a low-rank matrix and a diagonal matrix. The proposed method compresses high-dimensional data, computes the sample covariance in the compressed…

Methodology · Statistics 2017-04-04 Gautam Sabnis , Debdeep Pati , Anirban Bhattacharya

Minimizing a convex function of a measure with a sparsity-inducing penalty is a typical problem arising, e.g., in sparse spikes deconvolution or two-layer neural networks training. We show that this problem can be solved by discretizing the…

Optimization and Control · Mathematics 2020-11-04 Lenaic Chizat

High-dimensional time series datasets are becoming increasingly common in many areas of biological and social sciences. Some important applications include gene regulatory network reconstruction using time course gene expression data, brain…

Methodology · Statistics 2021-08-02 Sumanta Basu , David S. Matteson

This work constructs Jonson-Lindenstrauss embeddings with best accuracy, as measured by variance, mean-squared error and exponential concentration of the length distortion. Lower bounds for any data and embedding dimensions are determined,…

Machine Learning · Computer Science 2021-01-05 Maciej Skorski

We study a regression model with a huge number of interacting variables. We consider a specific approximation of the regression function under two ssumptions: (i) there exists a sparse representation of the regression function in a…

Statistics Theory · Mathematics 2009-09-29 Peter J. Bickel , Ya'acov Ritov , Alexander B. Tsybakov

Dimensionality reduction is an essential technique for multi-way large-scale data, i.e., tensor. Tensor ring (TR) decomposition has become popular due to its high representation ability and flexibility. However, the traditional TR…

Numerical Analysis · Mathematics 2024-12-20 Longhao Yuan , Chao Li , Jianting Cao , Qibin Zhao

Computing with discrete representations of high-dimensional probability distributions is fundamental to uncertainty quantification, Bayesian inference, and stochastic modeling. However, storing and manipulating such distributions suffers…

Numerical Analysis · Mathematics 2025-10-03 Gerhard Kirsten , Bilgesu Bilgin , Janith Petangoda , Phillip Stanley-Marbell

Datasets in high-dimension do not typically form clusters in their original space; the issue is worse when the number of points in the dataset is small. We propose a low-computation method to find statistically significant clustering…

Machine Learning · Statistics 2020-08-24 Alden Bradford , Tarun Yellamraju , Mireille Boutin

The popular Lasso approach for sparse estimation can be derived via marginalization of a joint density associated with a particular stochastic model. A different marginalization of the same probabilistic model leads to a different…

Machine Learning · Statistics 2013-02-28 Aleksandr Y. Aravkin , James V. Burke , Alessandro Chiuso , Gianluigi Pillonetto

This paper focuses on the estimation of the sample covariance matrix from low-dimensional random projections of data known as compressive measurements. In particular, we present an unbiased estimator to extract the covariance structure from…

Machine Learning · Statistics 2017-05-01 Farhad Pourkamali-Anaraki

The projection predictive variable selection is a decision-theoretically justified Bayesian variable selection approach achieving an outstanding trade-off between predictive performance and sparsity. Its projection problem is not easy to…

Methodology · Statistics 2024-06-11 Frank Weber , Änne Glass , Aki Vehtari

This article extends the known restricted isometric projection of sparse datasets in Euclidean spaces $\mathbb{R}^N$ down into low-dimensional subspaces $\mathbb{R}^k, k \ll N,$ to the case of low-dimensional varieties $\mathcal{M} \subset…

Mathematical Physics · Physics 2024-05-13 Vasile Pop , Iuliana Teodorescu , Razvan Teodorescu

We propose a new method of estimation in high-dimensional linear regression model. It allows for very weak distributional assumptions including heteroscedasticity, and does not require the knowledge of the variance of random errors. The…

Statistics Theory · Mathematics 2013-04-16 Eric Gautier , Alexandre Tsybakov

The Johnson-Lindenstrauss lemma allows dimension reduction on real vectors with low distortion on their pairwise Euclidean distances. This result is often used in algorithms such as $k$-means or $k$ nearest neighbours since they only use…

Optimization and Control · Mathematics 2015-07-06 Ky Vu , Pierre-Louis Poirion , Leo Liberti

The random sampling task performed by Google's Sycamore processor gave us a glimpse of the "Quantum Supremacy era". This has definitely shed some spotlight on the power of random quantum circuits in this abstract task of sampling outputs…

Quantum Physics · Physics 2024-01-23 Keerthi Kumaran , Manas Sajjan , Sangchul Oh , Sabre Kais