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Nonnegative matrix factorization (NMF) has been shown to be identifiable under the separability assumption, under which all the columns(or rows) of the input data matrix belong to the convex cone generated by only a few of these columns(or…

Machine Learning · Statistics 2014-03-25 Jason Gejie Liu , Shuchin Aeron

Efficient molecular dynamics (MD) simulation is vital for understanding atomic-scale processes in materials science and biophysics. Traditional density functional theory (DFT) methods are computationally expensive, which limits the…

Machine Learning · Computer Science 2025-10-03 Hung Le , Sherif Abbas , Minh Hoang Nguyen , Van Dai Do , Huu Hiep Nguyen , Dung Nguyen

Bayesian parameter inference is one of the key elements for model selection in cosmological research. However, the available inference tools require a large number of calls to simulation codes which can lead to high and sometimes even…

Cosmology and Nongalactic Astrophysics · Physics 2024-06-10 Sven Günther

Uncertainty quantification (UQ) tasks, such as sensitivity analysis and parameter estimation, entail a huge computational complexity when dealing with input-output maps involving the solution of nonlinear differential problems, because of…

Numerical Analysis · Mathematics 2023-02-17 Ludovica Cicci , Stefania Fresca , Mengwu Guo , Andrea Manzoni , Paolo Zunino

The Fast Multipole Method (FMM) is an efficient numerical algorithm for computation of long-ranged forces in $N$-body problems within gravitational and electrostatic fields. This method utilizes multipole expansions of the Green's function…

Machine Learning · Computer Science 2025-09-26 Emilio McAllister Fognini , Marta M. Betcke , Ben T. Cox

Quantifying uncertainty in neural network predictions is essential for high-stakes domains such as autonomous driving, healthcare, and manufacturing. While existing approaches often depend on costly sampling or restrictive distributional…

Machine Learning · Computer Science 2026-05-29 Eunseo Choi , Ho-Yeon Kim , Jaewon Lee , Taeyong jo , Myungjun lee , Heejin Ahn

We introduce a novel Bayesian hybrid matrix factorisation model (HMF) for data integration, based on combining multiple matrix factorisation methods, that can be used for in- and out-of-matrix prediction of missing values. The model is very…

Machine Learning · Statistics 2017-04-18 Thomas Brouwer , Pietro Lió

Quantifying and reducing uncertainty in Earth system model parameterizations is essential to improving their reliability in decision-making. Forward uncertainty propagation is used to derive parameter sensitivity but requires physically…

Atmospheric and Oceanic Physics · Physics 2026-04-22 Ethan YoungIn Shin , Baris Kale , Michael F. Howland

Accurate prediction of structural dynamics is imperative for preserving digital twin fidelity throughout operational lifetimes. Parametric models with fixed nominal parameters often omit critical physical effects due to simplifications in…

Machine Learning · Statistics 2026-01-12 Rohan Vitthal Thorat , Rajdip Nayek

This article addresses the problem of efficient Bayesian inference in dynamic systems using particle methods and makes a number of contributions. First, we develop a correlated pseudo-marginal (CPM) approach for Bayesian inference in state…

Methodology · Statistics 2016-12-22 P. Choppala , D. Gunawan , J. Chen , M. -N. Tran , R. Kohn

Bond rating Transition Probability Matrices (TPMs) are built over a one-year time-frame and for many practical purposes, like the assessment of risk in portfolios or the computation of banking Capital Requirements (e.g. the new IFRS 9…

Risk Management · Quantitative Finance 2017-10-17 Greig Smith , Goncalo dos Reis

A large body of research has focused on theory and computation for variable selection techniques for high dimensional data. There has been substantially less work in the big tall data paradigm, where the number of variables may be large,…

Computation · Statistics 2018-01-30 Jared D. Huling , Peter Z. G. Qian

Factor Analysis (FA) is a technique of fundamental importance that is widely used in classical and modern multivariate statistics, psychometrics and econometrics. In this paper, we revisit the classical rank-constrained FA problem, which…

Methodology · Statistics 2017-04-25 Dimitris Bertsimas , Martin S. Copenhaver , Rahul Mazumder

Probabilistic variants of Model Order Reduction (MOR) methods have recently emerged for improving stability and computational performance of classical approaches. In this paper, we propose a probabilistic Reduced Basis Method (RBM) for the…

Numerical Analysis · Mathematics 2023-12-06 Marie Billaud-Friess , Arthur Macherey , Anthony Nouy , Clémentine Prieur

Functional Principal Components Analysis (FPCA) is a widely used analytic tool for dimension reduction of functional data. Traditional implementations of FPCA estimate the principal components from the data, then treat these estimates as…

Methodology · Statistics 2026-04-03 Joseph Sartini , Xinkai Zhou , Liz Selvin , Scott Zeger , Ciprian Crainiceanu

This paper studies an entropy-based multi-objective Bayesian optimization (MBO). The entropy search is successful approach to Bayesian optimization. However, for MBO, existing entropy-based methods ignore trade-off among objectives or…

Machine Learning · Computer Science 2020-02-12 Shinya Suzuki , Shion Takeno , Tomoyuki Tamura , Kazuki Shitara , Masayuki Karasuyama

Kernel smooth is the most fundamental technique for data density and regression estimation. However, time-consuming is the biggest obstacle for the application that the direct evaluation of kernel smooth for $N$ samples needs ${O}\left(…

Methodology · Statistics 2022-04-19 Ying Wang , Min Li , Deirel Paz-Linares , Maria L. Bringas Vega , Pedro A. Valdés-Sosa

We introduce the variational filtering EM algorithm, a simple, general-purpose method for performing variational inference in dynamical latent variable models using information from only past and present variables, i.e. filtering. The…

Machine Learning · Statistics 2018-11-14 Joseph Marino , Milan Cvitkovic , Yisong Yue

Operational modal analysis (OMA) aims at identifying the modal properties of a structure based on response data of the structure excited by ambient sources. Modal parameters of the ambient vibration structures consist of natural…

Systems and Control · Electrical Eng. & Systems 2020-10-20 M. R. Davoodi , B. Navayi neya , S. A. Mostafavian , S. R. Nabavian , GH. R. Jahangiry

A new algorithm is proposed to describe the propagation of fronts advected in the normal direction with prescribed speed function F. The assumptions on F are that it does not depend on the front itself, but can depend on space and time.…

Numerical Analysis · Mathematics 2015-05-28 Alexandra Tcheng , Jean-Christophe Nave