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This paper introduces a general framework for estimating variance components in the linear mixed models via general unbiased estimating equations, which include some well-used estimators such as the restricted maximum likelihood estimator.…

Methodology · Statistics 2021-05-18 Tatsuya Kubokawa , Shonosuke Sugasawa , Hiromasa Tamae , Sanjay Chaudhuri

Layered two-dimensional (2D) materials exhibit unique properties, expanding opportunities in material design. We investigate MX$_2$ transition metal dichalcogenides (TMDCs) (M = Mo, W; X = S, Se, Te) in homo- and heterobilayers with…

Materials Science · Physics 2025-03-13 Yu-Hsiu Lin , William P. Comaskey , Jose L. Mendoza-Cortes

Understanding the dynamical evolution of large-scale moir\'e systems is crucial for connecting theoretical predictions with experimental observations. Here we develop a machine-learning-based workflow, integrating DeePMD and DeepH…

Materials Science · Physics 2026-04-27 Yifan Ke , Chuanjing Zeng , Xinming Qin , Wei-Lin Tu , Wei Hu , Jinglong Yang

We describe a novel coarse-grained simulation method for modelling the dynamics of globular macromolecules, such as proteins. The macromolecule is treated as a continuum that is subject to thermal fluctuations. The model includes a…

Computational Physics · Physics 2015-06-11 Robin Oliver , Daniel J. Read , Oliver G. Harlen , Sarah A. Harris

Suppose that we wish to estimate a finite-dimensional summary of one or more function-valued features of an underlying data-generating mechanism under a nonparametric model. One approach to estimation is by plugging in flexible estimates of…

Methodology · Statistics 2020-08-28 Hongxiang Qiu , Alex Luedtke , Marco Carone

Recent research in non-intrusive data-driven model order reduction (MOR) enabled accurate and efficient approximation of parameterized ordinary differential equations (ODEs). However, previous studies have focused on constant parameters,…

Dynamical Systems · Mathematics 2021-10-27 Jonas Kneifl , Julian Hay , Jörg Fehr

We propose Energy-based generator matching (EGM), a modality-agnostic approach to train generative models from energy functions in the absence of data. Extending the recently proposed generator matching, EGM enables training of arbitrary…

Machine Learning · Computer Science 2025-11-20 Dongyeop Woo , Minsu Kim , Minkyu Kim , Kiyoung Seong , Sungsoo Ahn

Twisted bilayers of two-dimensional (2D) materials are proving a fertile ground for investigating strongly correlated electron phases. This is because the moir\'e pattern introduced by the relative twist between layers introduces…

Materials Science · Physics 2021-10-13 Hao Tang , Stephen Carr , Efthimios Kaxiras

This paper introduces a constructive method for approximating relative continuum measurements in two-dimensional electrical impedance tomography based on data originating from either the point electrode model or the complete electrode…

Numerical Analysis · Mathematics 2021-03-09 Henrik Garde , Nuutti Hyvönen

A univariate continuous function can always be decomposed as the sum of a non-increasing function and a non-decreasing one. Based on this property, we propose a non-parametric regression method that combines two spline-fitted monotone…

Methodology · Statistics 2024-04-11 Lijun Wang , Xiaodan Fan , Hongyu Zhao , Jun S. Liu

Design-space dimensionality reduction is essential to mitigate the cost of high-fidelity simulation-based optimization, especially when dealing with high-dimensional geometric parameterizations. Traditional linear techniques, such as…

Optimization and Control · Mathematics 2025-07-23 Andrea Serani , Giorgio Palma , Jeroen Wackers , Domenico Quagliarella , Stefano Gaggero , Matteo Diez

Mechanical relaxation in moir\'e materials is often modeled by a continuum model where linear elasticity is coupled to a stacking penalty known as the Generalized Stacking Fault Energy (GSFE). We review and compute minimizers of a…

Mathematical Physics · Physics 2025-09-08 Jingzhi , Zhou , Alexander B. Watson

Moir\'e systems have emerged in recent years as a rich platform to study strong correlations. Here, we will discuss a simple, experimentally feasible setup based on periodically strained graphene that reproduces several key aspects of…

Mesoscale and Nanoscale Physics · Physics 2022-11-03 Qiang Gao , Junkai Dong , Patrick Ledwith , Daniel Parker , Eslam Khalaf

Conventional subtractive manufacturing inevitably involves material loss during geometric realization, while additive manufacturing still suffers from limitations in surface quality, process continuity, and productivity when fabricating…

Robotics · Computer Science 2026-01-12 Lei Li , Jiale Gong , Ziyang Li , Hong Wang

Twisted graphene layers produce a moir\'e pattern (MP) structure with a predetermined wavelength for given twist angle. However, predicting the membrane corrugation amplitude for any angle other than pure AB-stacked or AA-stacked graphene…

Mesoscale and Nanoscale Physics · Physics 2015-06-22 M. Neek-Amal , P. Xu , D. Qi , P. M. Thibado , L. O. Nyakiti , V. D. Wheeler , R. L. Myers-Ward , C. R. Eddy , D. K. Gaskill , F. M. Peeters

Continuum manipulators offer intrinsic dexterity and safe geometric compliance for navigation within confined and obstacle-rich environments. However, their infinite-dimensional backbone deformation, unmodeled internal friction, and…

Robotics · Computer Science 2025-12-09 Shrreya Rajneesh , Nikita Pavle , Rakesh Kumar Sahoo , Manoranjan Sinha

Ordinary Differential Equations are widespread tools to model chemical, physical, biological process but they usually rely on parameters which are of critical importance in terms of dynamic and need to be estimated directly from the data.…

Methodology · Statistics 2014-10-29 Nicolas Brunel , Quentin Clairon

The requirement of generating predictions that exactly fulfill the fundamental symmetry of the corresponding physical quantities has profoundly shaped the development of machine-learning models for physical simulations. In many cases,…

Machine Learning · Computer Science 2026-03-27 Michelangelo Domina , Joseph William Abbott , Paolo Pegolo , Filippo Bigi , Michele Ceriotti

Twisted real structures are well-motivated as a way to implement the conformal transformation of a Dirac operator for a real spectral triple without needing to twist the noncommutative 1-forms. We study the coupling of spectral triples with…

Mathematical Physics · Physics 2021-08-25 Adam M. Magee , Ludwik Dabrowski

The dynamic behavior of jointed assemblies exhibiting friction nonlinearities features amplitude-dependent dissipation and stiffness. To develop numerical simulations for predictive and design purposes, macro-scale High Fidelity Models…

Computational Engineering, Finance, and Science · Computer Science 2022-04-27 Ahmed Amr Morsy , Mariella Kast , Paolo Tiso
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