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Vibrational spectroscopy is a cornerstone technique for molecular characterization and offers an ideal target for the computational investigation of molecular materials. Building on previous comprehensive assessments of efficient methods…

We consider applying Bayesian Variable Selection Regression, or BVSR, to genome-wide association studies and similar large-scale regression problems. Currently, typical genome-wide association studies measure hundreds of thousands, or…

Applications · Statistics 2011-10-28 Yongtao Guan , Matthew Stephens

Sampling complex free energy surfaces is one of the main challenges of modern atomistic simulation methods. The presence of kinetic bottlenecks in such surfaces often renders a direct approach useless. A popular strategy is to identify a…

Computational Physics · Physics 2019-09-25 Luigi Bonati , Yue-Yu Zhang , Michele Parrinello

In this paper, we present a new variable selection method for regression and classification purposes. Our method, called Subsampling Ranking Forward selection (SuRF), is based on LASSO penalised regression, subsampling and forward-selection…

Methodology · Statistics 2021-05-25 Lihui Liu , Hong Gu , Johan Van Limbergen , Toby Kenney

We develop a model reduction technique for non-smooth dynamical systems using spectral submanifolds. Specifically, we construct low-dimensional, sparse, nonlinear and non-smooth models on unions of slow and attracting spectral submanifolds…

Dynamical Systems · Mathematics 2023-12-25 Leonardo Bettini , Mattia Cenedese , George Haller

We study variable selection (also called support recovery) in high-dimensional sparse linear regression when one has external information on which variables are likely to be associated with the response. Consistent recovery is only possible…

Statistics Theory · Mathematics 2026-02-16 Paul Rognon-Vael , David Rossell , Piotr Zwiernik

High-dimensional variable selection, with many more covariates than observations, is widely documented in standard regression models, but there are still few tools to address it in non-linear mixed-effects models where data are collected…

Statistics Theory · Mathematics 2024-04-08 Marion Naveau , Guillaume Kon Kam King , Renaud Rincent , Laure Sansonnet , Maud Delattre

When learning stable linear dynamical systems from data, three important properties are desirable: i) predictive accuracy, ii) verifiable stability, and iii) computational efficiency. Unconstrained minimization of prediction errors leads to…

Robotics · Computer Science 2026-02-17 Hanyao Guo , Yunhai Han , Harish Ravichandar

Sample selection models are a widely used approach for correcting bias caused by data that are missing not at random. Their formulation requires specifying the variables that influence the outcome and those that drive the selection process.…

Computation · Statistics 2026-03-25 Adam J. Iqbal , Emmanuel O. Ogundimu , F. Javier Rubio

We consider the problem of inferring the values of an arbitrary set of variables (e.g., risk of diseases) given other observed variables (e.g., symptoms and diagnosed diseases) and high-dimensional signals (e.g., MRI images or EEG). This is…

Machine Learning · Statistics 2019-02-07 Hao Wang , Chengzhi Mao , Hao He , Mingmin Zhao , Tommi S. Jaakkola , Dina Katabi

Selection of appropriate collective variables for enhancing sampling of molecular simulations remains an unsolved problem in computational biophysics. In particular, picking initial collective variables (CVs) is particularly challenging in…

Machine Learning · Statistics 2018-05-15 Mohammad M. Sultan , Vijay S. Pande

B\'ezier splines are widely available in various systems with the curves and surface designs. In general, the B\'ezier spline can be specified with the B\'ezier curve segments and a B\'ezier curve segment can be fitted to any number of…

Computer Vision and Pattern Recognition · Computer Science 2014-11-25 Ha Jong Won , Choe Chun Hwa , Li Kum Song

Independence screening is a powerful method for variable selection for `Big Data' when the number of variables is massive. Commonly used independence screening methods are based on marginal correlations or variations of it. In many…

Statistics Theory · Mathematics 2012-11-02 Emre Barut , Jianqing Fan , Anneleen Verhasselt

As an alternative to the traditional sampling theory, compressed sensing allows acquiring much smaller amount of data, still estimating the spectra of frequency-sparse signals accurately. However, compressed sensing usually requires random…

Information Theory · Computer Science 2016-07-22 Shan Huang , Hong Sun , Haijian Zhang , Lei Yu

This work focuses on the issue of variable selection in functional regression. Unlike most work in this framework, our approach does not select isolated points in the definition domain of the predictors, nor does it rely on the expansion of…

Statistics Theory · Mathematics 2018-03-05 Victor Picheny , Rémi Servien , Nathalie Villa-Vialaneix

This paper addresses the challenge of identifying a minimal subset of discrete, independent variables that best predicts a binary class. We propose an efficient iterative method that sequentially selects variables based on which one…

Computation · Statistics 2025-11-03 María del Carmen Romero , Mariana del Fresno , Alejandro Clausse

The fast classification of new variable stars is an important step in making them available for further research. Selection of science targets from large databases is much more efficient if they have been classified first. Defining the…

Astrophysics · Physics 2009-11-13 J. Debosscher , L. M. Sarro , C. Aerts , J. Cuypers , B. Vandenbussche , R. Garrido , E. Solano

Existing permanental processes often impose constraints on kernel types or stationarity, limiting the model's expressiveness. To overcome these limitations, we propose a novel approach utilizing the sparse spectral representation of…

Machine Learning · Statistics 2024-12-20 Zicheng Sun , Yixuan Zhang , Zenan Ling , Xuhui Fan , Feng Zhou

Consider a panel data setting where repeated observations on individuals are available. Often it is reasonable to assume that there exist groups of individuals that share similar effects of observed characteristics, but the grouping is…

Methodology · Statistics 2024-02-09 Lu Yu , Jiaying Gu , Stanislav Volgushev

We propose a nonparametric procedure to achieve fast inference in generative graphical models when the number of latent states is very large. The approach is based on iterative latent variable preselection, where we alternate between…

Machine Learning · Statistics 2021-10-06 Jacquelyn A. Shelton , Jan Gasthaus , Zhenwen Dai , Joerg Luecke , Arthur Gretton