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A natural way to quantify uncertainties in Gaussian mixture models (GMMs) is through Bayesian methods. That said, sampling from the joint posterior distribution of GMMs via standard Markov chain Monte Carlo (MCMC) imposes several…

Methodology · Statistics 2024-05-20 Santiago Marin , Bronwyn Loong , Anton H. Westveld

A previously developed quantum reduced-order model is revised and applied, together with the domain decomposition, to develop the quantum element method (QEM), a methodology for fast and accurate simulation of quantum eigenvalue problems.…

Computational Physics · Physics 2023-04-18 Ming-C. Cheng

This paper considers an approximate dynamic matrix factor model that accounts for the time series nature of the data by explicitly modelling the time evolution of the factors. We study estimation of the model parameters based on the…

Methodology · Statistics 2026-01-08 Matteo Barigozzi , Luca Trapin

In recent years there has been a flurry of works on learning Bayesian networks from data. One of the hard problems in this area is how to effectively learn the structure of a belief network from incomplete data- that is, in the presence of…

Machine Learning · Computer Science 2013-02-01 Nir Friedman

Quantifying uncertainty and updating reliability are essential for ensuring the safety and performance of engineering systems. This study develops a hierarchical Bayesian modeling (HBM) framework to quantify uncertainty and update…

Methodology · Statistics 2024-12-31 Xinyu Jia , Weinan Hou , Costas Papadimitriou

We propose a Pretrained Finite Element Method (PFEM),a physics driven framework that bridges the efficiency of neural operator learning with the accuracy and robustness of classical finite element methods (FEM). PFEM consists of a physics…

Accurate uncertainty quantification of model predictions is a crucial problem in machine learning. Existing Bayesian methods, being highly iterative, are expensive to implement and often fail to accurately capture a model's true posterior…

Machine Learning · Computer Science 2022-05-31 Rishabh Singh , Jose C. Principe

Recently, sophisticated deep learning-based approaches have been developed for generating efficient initial guesses to accelerate the convergence of density functional theory (DFT) calculations. While the actual initial guesses are often…

Chemical Physics · Physics 2026-03-24 Zhe Liu , Yuyan Ni , Zhichen Pu , Qiming Sun , Siyuan Liu , Wen Yan

The PC algorithm is a widely used method in causal inference for learning the structure of Bayesian networks. Despite its popularity, the PC algorithm suffers from significant time complexity, particularly as the size of the dataset…

Machine Learning · Computer Science 2025-11-25 Kunal Dumbre , Lei Jiao , Ole-Christoffer Granmo

In cryo-electron microscopy (EM), molecular structures are determined from large numbers of projection images of individual particles. To harness the full power of this single-molecule information, we use the Bayesian inference of EM…

Biomolecules · Quantitative Biology 2018-01-17 Pilar Cossio , David Rohr , Fabio Baruffa , Markus Rampp , Volker Lindenstruth , Gerhard Hummer

The number of measurements demanded by hybrid quantum-classical algorithms such as the variational quantum eigensolver (VQE) is prohibitively high for many problems of practical value. For such problems, realizing quantum advantage will…

Quantum Physics · Physics 2021-03-24 Guoming Wang , Dax Enshan Koh , Peter D. Johnson , Yudong Cao

For identification of systems embedded in dynamic networks, applying the prediction error method (PEM) to a correct tailor-made parametrization of the complete network provided asymptotically efficient estimates. However, the network…

Systems and Control · Computer Science 2018-03-21 Miguel Galrinho , Riccardo Prota , Mina Ferizbegovic , Håkan Hjalmarsson

Matrix factorization methods - including Factor analysis (FA), and Principal Components Analysis (PCA) - are widely used for inferring and summarizing structure in multivariate data. Many matrix factorization methods exist, corresponding to…

Methodology · Statistics 2021-05-04 Wei Wang , Matthew Stephens

Deep directed generative models have attracted much attention recently due to their expressive representation power and the ability of ancestral sampling. One major difficulty of learning directed models with many latent variables is the…

Machine Learning · Computer Science 2015-06-16 Siqi Nie , Qiang Ji

Partially recorded data are frequently encountered in many applications and usually clustered by first removing incomplete cases or features with missing values, or by imputing missing values, followed by application of a clustering…

Methodology · Statistics 2021-10-20 Emily M. Goren , Ranjan Maitra

The Expectation-Maximization (EM) algorithm has been predominantly used to approximate the maximum likelihood estimation of the location-scale Gaussian mixtures. However, when the models are over-specified, namely, the chosen number of…

Machine Learning · Statistics 2022-05-24 Tongzheng Ren , Fuheng Cui , Sujay Sanghavi , Nhat Ho

Dempster-Shafer Theory (DST) generalizes Bayesian probability theory, offering useful additional information, but suffers from a high computational burden. A lot of work has been done to reduce the complexity of computations used in…

Computational Complexity · Computer Science 2021-07-16 Maxime Chaveroche , Franck Davoine , Véronique Cherfaoui

We revisit the classical, full-fledged Bayesian model averaging (BMA) paradigm to ensemble pre-trained and/or lightly-finetuned foundation models to enhance the classification performance on image and text data. To make BMA tractable under…

Machine Learning · Computer Science 2025-05-29 Mijung Park

Predicting quantum operator matrices such as Hamiltonian, overlap, and density matrices in the density functional theory (DFT) framework is crucial for material science. Current methods often focus on individual operators and struggle with…

Materials Science · Physics 2025-03-12 Zhanghao Zhouyin , Zixi Gan , MingKang Liu , Shishir Kumar Pandey , Linfeng Zhang , Qiangqiang Gu

An MCMC simulation method based on a two stage delayed rejection Metropolis-Hastings algorithm is proposed to estimate a factor multivariate stochastic volatility model. The first stage uses kstep iteration towards the mode, with k small,…

Computation · Statistics 2010-02-11 Weijun Xu , Li Yang , Robert Kohn
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