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Finding Minimum Energy Configurations (MECs) is essential in fields such as physics, chemistry, and materials science, as they represent the most stable states of the systems. In particular, identifying such MECs in multi-component alloys…

Materials Science · Physics 2025-01-27 Md Rajib Khan Musa , Yichen Qian , Jie Peng , David Cereceda

Model error covariances play a central role in the performance of data assimilation methods applied to nonlinear state-space models. However, these covariances are largely unknown in most of the applications. A misspecification of the model…

Computation · Statistics 2019-11-06 María Magdalena Lucini , Peter Jan van Leeuwen , Manuel Pulido

Latent class model (LCM), which is a finite mixture of different categorical distributions, is one of the most widely used models in statistics and machine learning fields. Because of its non-continuous nature and the flexibility in shape,…

Machine Learning · Statistics 2021-03-23 Hao Chen , Lanshan Han , Alvin Lim

Finite mixture models are powerful tools for modelling and analyzing heterogeneous data. Parameter estimation is typically carried out using maximum likelihood estimation via the Expectation-Maximization (EM) algorithm. Recently, the…

Computation · Statistics 2020-05-15 Sharon X. Lee , Geoffrey J. McLachlan , Kaleb L. Leemaqz

A new method involving particle diagrams is introduced and developed into a rigorous framework for carrying out embedded random matrix calculations. Using particle diagrams and the attendant methodology including loop counting it becomes…

Quantum Physics · Physics 2015-04-01 Rupert A Small

Advances in artificial intelligence (AI) and deep learning have led to neural networks being used to generate lightning-speed answers to complex science questions, paintings in the style of Monet, or stories like those of Twain. Leveraging…

Methodology · Statistics 2026-02-25 Matthew Sainsbury-Dale , Andrew Zammit-Mangion , Noel Cressie , Raphaël Huser

We illustrate how the Matrix Element Method at Next-to-Leading Order (MEM@NLO) can be used to discriminate between events arising from the production of a Higgs boson, which subsequently decays to a final state consisting of…

High Energy Physics - Phenomenology · Physics 2013-04-17 John M. Campbell , R. Keith Ellis , Walter T. Giele , Ciaran Williams

Periodic micromagnetic finite element method (PM-FEM) is introduced to solve periodic unit cell problems using the Landau-Lifshitz-Gilbert equation. PM-FEM is applicable to general problems with 1D, 2D, and 3D periodicities. PM-FEM is based…

Numerical Analysis · Mathematics 2024-09-24 Fangzhou Ai , Jiawei Duan , Vitaliy Lomakin

Dramatic increases in the size and dimensionality of many recent data sets make crucial the need for sophisticated methods that can exploit inherent structure and handle missing values. In this article we derive an expectation-maximization…

Methodology · Statistics 2013-09-26 Hunter Glanz , Luis Carvalho

The high-frequency Helmholtz equation on the entire space is truncated into a bounded domain using the perfectly matched layer (PML) technique and subsequently, discretized by the higher-order finite element method (FEM) and the continuous…

Numerical Analysis · Mathematics 2023-12-06 Yonglin Li , Haijun Wu

Expectation maximisation (EM) is an unsupervised learning method for estimating the parameters of a finite mixture distribution. It works by introducing "hidden" or "latent" variables via Baum's auxiliary function $Q$ that allow the joint…

Machine Learning · Computer Science 2022-05-19 Graham W. Pulford

The Finite element method (FEM) has long served as the computational backbone for topology optimization (TO). However, for designing structures undergoing large deformations, conventional FEM-based TO often exhibits numerical instabilities…

Computational Engineering, Finance, and Science · Computer Science 2026-03-17 Rahul Kumar Padhy , Aaditya Chandrasekhar , Krishnan Suresh

In this thesis, a computational framework for microstructural modelling of transverse behaviour of heterogeneous materials is presented. The context of this research is part of the broad and active field of Computational Micromechanics,…

Computational Engineering, Finance, and Science · Computer Science 2021-10-05 Marco Lo Cascio

The expectation-maximization (EM) algorithm and its variants are widely used in statistics. In high-dimensional mixture linear regression, the model is assumed to be a finite mixture of linear regression and the number of predictors is much…

Statistics Theory · Mathematics 2023-07-24 Ning Wang , Xin Zhang , Qing Mai

Probabilistic Circuits (PCs) offer a computationally scalable framework for generative modeling, supporting exact and efficient inference of a wide range of probabilistic queries. While recent advances have significantly improved the…

Machine Learning · Computer Science 2025-10-07 Anji Liu , Zilei Shao , Guy Van den Broeck

The expectation-maximization (EM) algorithm is an iterative computational method to calculate the maximum likelihood estimators (MLEs) from the sample data. It converts a complicated one-time calculation for the MLE of the incomplete data…

Computation · Statistics 2016-08-08 Lingyao Meng

Jump Markov linear models consists of a finite number of linear state space models and a discrete variable encoding the jumps (or switches) between the different linear models. Identifying jump Markov linear models makes for a challenging…

Computation · Statistics 2015-02-17 Andreas Svensson , Thomas B. Schön , Fredrik Lindsten

Magnetostatic field calculations in micromagnetic simulations can be numerically expensive, particularly in the case of large-scale finite element simulations. The established finite element / boundary element method (FEM/BEM) by Fredkin &…

Numerical Analysis · Mathematics 2019-03-27 Riccardo Hertel , Sven Christophersen , Steffen Börm

Expectation-Maximization (EM) algorithm is a widely used iterative algorithm for computing maximum likelihood estimate when dealing with Gaussian Mixture Model (GMM). When the sample size is smaller than the data dimension, this could lead…

Machine Learning · Statistics 2023-07-06 Pierre Houdouin , Matthieu Jonkcheere , Frederic Pascal

Machine Learning algorithms, such as Boosted Decisions Trees and Deep Neural Network, are widely used in High-Energy-Physics. The aim of this study is to apply Bayesian Optimization to tune the hyperparameters used in a machine learning…

Data Analysis, Statistics and Probability · Physics 2019-11-12 Oriel Kiss