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The spectral deferred correction (SDC) method is class of iterative solvers for ordinary differential equations (ODEs). It can be interpreted as a preconditioned Picard iteration for the collocation problem. The convergence of this method…

Numerical Analysis · Mathematics 2021-11-03 Gitte Kremling , Robert Speck

The ability to predict accurate thermodynamic and kinetic properties in biomolecular systems is of both scientific and practical utility. While both remain very difficult, predictions of kinetics are particularly difficult because rates, in…

Chemical Physics · Physics 2018-06-13 Yong Wang , Omar Valsson , Pratyush Tiwary , Michele Parrinello , Kresten Lindorff-Larsen

Combined-resolution simulations are an effective way to study molecular properties across a range of length- and time-scales. These simulations can benefit from adaptive boundaries that allow the high-resolution region to adapt (change size…

Computational Physics · Physics 2018-05-09 Jason A. Wagoner , Vijay S. Pande

In this paper we continue our work on adaptive timestep control for weakly non- stationary problems. The core of the method is a space-time splitting of adjoint error representations for target functionals due to S\"uli and Hartmann. The…

Numerical Analysis · Mathematics 2014-06-19 Christina Steiner , Siegfried Müller , Sebastian Noelle

Our evolving understanding of the heterocellular cardiac environment demands innovative tools for its study. While murine models are lauded for their versatility and accessibility, they are constrained by scale; tools designed for larger…

Biological Physics · Physics 2023-12-12 Gavin Tumlinson , Enaam Chleilat , Josef Madl , Peter Kohl , Viviane Timmermann

Ab initio molecular dynamics (AIMD) simulations using hybrid density functionals and plane waves are of great interest owing to the accuracy of this approach in treating condensed matter systems. On the other hand, such AIMD calculations…

Chemical Physics · Physics 2020-01-08 Sagarmoy Mandal , Nisanth N. Nair

In this work, we propose an adaptive spectral element algorithm for solving nonlinear optimal control problems. The method employs orthogonal collocation at the shifted Gegenbauer-Gauss points combined with very accurate and stable…

Optimization and Control · Mathematics 2023-03-06 Kareem T. Elgindy

Artificial intelligence has made great progress in medical data analysis, but the lack of robustness and trustworthiness has kept these methods from being widely deployed. As it is not possible to train networks that are accurate in all…

Machine Learning · Computer Science 2024-02-19 Christopher Wiedeman , Ge Wang

The time-domain technique for impedance spectroscopy consists of computing the excitation voltage and current response Fourier images by fast or discrete Fourier transformation and calculating their relation. Here we propose an alternative…

Data Analysis, Statistics and Probability · Physics 2017-12-14 Daniil D. Stupin , Sergei V. Koniakhin , Nikolay A. Verlov , Michael V. Dubina

Recently, new adaptive techniques were developed that greatly improved the efficiency of solving PDEs using spectral methods. These adaptive spectral techniques are especially suited for accurately solving problems in unbounded domains and…

Numerical Analysis · Mathematics 2022-05-09 Tom Chou , Sihong Shao , Mingtao Xia

Based on the Fourier extension, we propose an oversampling collocation method for solving the elliptic partial differential equations with variable coefficients over arbitrary irregular domains. This method only uses the function values on…

Numerical Analysis · Mathematics 2022-11-14 Xianru Chen , Li Lin

The accurate assembly of the system matrix is an important step in any code that solves partial differential equations on a mesh. We either explicitly set up a matrix, or we work in a matrix-free environment where we have to be able to…

Mathematical Software · Computer Science 2020-06-19 Charles D. Murray , Tobias Weinzierl

Supervised learning is well-known to fail at generalization under distribution shifts. In typical clinical settings, the source data is inaccessible and the target distribution is represented with a handful of samples: adaptation can only…

Computer Vision and Pattern Recognition · Computer Science 2022-05-18 Mathilde Bateson , Hervé Lombaert , Ismail Ben Ayed

We consider adaptive finite element methods for second-order elliptic PDEs, where the arising discrete systems are not solved exactly. For contractive iterative solvers, we formulate an adaptive algorithm which monitors and steers the…

Numerical Analysis · Mathematics 2021-07-14 Gregor Gantner , Alexander Haberl , Dirk Praetorius , Stefan Schimanko

The essential features of far-field low-energy defibrillation are elucidated using a simple cellular automaton model of excitable media. The model's topological character allows for direct correspondence with both realistic models and…

Biological Physics · Physics 2021-09-23 Noah DeTal , Flavio Fenton

In this paper, we systematically evaluate the performance of adaptive adjustment of the relaxation parameters of various iterative algorithms for X-ray CT reconstruction relying on sparsity priors. Sparsity prior has been found to be an…

Medical Physics · Physics 2015-10-07 Sajib Saha , Murat Tahtali , Andrew Lambert , Mark Pickering

Spectral embedding uses eigenfunctions of the discrete Laplacian on a weighted graph to obtain coordinates for an embedding of an abstract data set into Euclidean space. We propose a new pre-processing step of first using the eigenfunctions…

Machine Learning · Statistics 2016-07-18 Alexander Cloninger , Stefan Steinerberger

A space-time adaptive scheme is presented for solving advection equations in two space dimensions. The gradient-augmented level set method using a semi-Lagrangian formulation with backward time integration is coupled with a point value…

Computational Physics · Physics 2015-04-20 Dmitry Kolomenskiy , Jean-Christophe Nave , Kai Schneider

Integrated localization and communication systems aim to reuse communication waveforms for simultaneous data transmission and localization, but delay resolution is fundamentally limited by the available bandwidth. In practice, large…

Signal Processing · Electrical Eng. & Systems 2026-01-27 Jialun Kou , Achiel Colpaert , Zhuangzhuang Cui , Sofie Pollin

In the framework of accurate and efficient segregated schemes for 3D cardiac electromechanics and 0D cardiovascular models, we propose here a novel numerical approach to address the coupled 3D-0D problem introduced in Part I of this…