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The Molecular Distance Geometry Problem (MDGP) is essential in structural biology, as it seeks to determine three-dimensional protein structures from partial interatomic distances. Its discretizable subclass (DMDGP) admits an exact…

Optimization and Control · Mathematics 2025-10-24 Leonardo D. Secchin , Wagner da Rocha , Mariana da Rosa , Leo Liberti , Carlile Lavor

Multiparticle collision dynamics (MPCD) is a flexible and robust mesoscale computational technique for simulating solvent-mediated hydrodynamic interactions in soft materials. Here, we provide a critical overview of the MPCD method and…

Soft Condensed Matter · Physics 2019-02-28 Michael P. Howard , Arash Nikoubashman , Jeremy C. Palmer

Most research on the simulation of deformation and failure of metals has been and continues to be performed using the finite element method. However, the issues of mesh entanglement under large deformation, considerable complexity in…

Computational Physics · Physics 2012-01-13 Biswajit Banerjee

The prediction of the quasi-static response of industrial laminate structures requires to use fine descriptions of the material, especially when debonding is involved. Even when modeled at the mesoscale, the computation of these structures…

Computational Physics · Physics 2011-09-29 Pierre Kerfriden , Olivier Allix , Pierre Gosselet

Dynamic Mode Decomposition (DMD) has received increasing research attention due to its capability to analyze and model complex dynamical systems. However, it faces challenges in computational efficiency, noise sensitivity, and difficulty…

Machine Learning · Computer Science 2025-02-20 Biqi Chen , Ying Wang

This paper proposes a joint decomposition method that combines La- grangian decomposition and generalized Benders decomposition, to efficiently solve multiscenario nonconvex mixed-integer nonlinear programming (MINLP) problems to global…

Optimization and Control · Mathematics 2018-02-22 Emmanuel Ogbe , Xiang Li

For the numerical simulation of time-dependent problems, recent works suggest the use of a time marching scheme based on a tensorial decomposition of the time axis. This time-separated representation is straightforwardly introduced in the…

Computational Engineering, Finance, and Science · Computer Science 2023-04-24 Angelo Pasquale , Sebastian Rodriguez , Khanh Nguyen , Amine Ammar , Francisco Chinesta

Dynamic mode decomposition (DMD) represents an effective means for capturing the essential features of numerically or experimentally generated flow fields. In order to achieve a desirable tradeoff between the quality of approximation and…

Fluid Dynamics · Physics 2014-12-11 Mihailo R. Jovanović , Peter J. Schmid , Joseph W. Nichols

In this work, we present a high-fidelity and efficient point-particle direct numerical simulation framework based on a multi-block overset curvilinear grid system, enabling large-scale Lagrangian particle tracking in complex geometries with…

Fluid Dynamics · Physics 2025-09-10 Taiyang Wang , Baoqing Meng , Baolin Tian , Yaomin Zhao

We propose a new numerical domain decomposition method for solving elliptic equations on compact Riemannian manifolds. One advantage of this method is its ability to bypass the need for global triangulations or grids on the manifolds.…

Numerical Analysis · Mathematics 2025-04-03 Lizhen Qin , Feng Wang , Yun Wang

In the era of the Big Data revolution, methods for the automatic discovery of regularities in large datasets are becoming essential tools in applied sciences. This article presents an open software package, named MODULO (MODal mULtiscale…

Data Analysis, Statistics and Probability · Physics 2020-11-12 Davide Ninni , Miguel A. Mendez

We describe an algorithm for dynamic load balancing of geometrically parallelized synchronous Monte Carlo simulations of physical models. This algorithm is designed for a (heterogeneous) multiprocessor system of the MIMD type with…

High Energy Physics - Lattice · Physics 2009-10-22 P. Altevogt , A. Linke

The decentralized gradient descent (DGD) algorithm, and its sibling, diffusion, are workhorses in decentralized machine learning, distributed inference and estimation, and multi-agent coordination. We propose a novel, principled framework…

Signal Processing · Electrical Eng. & Systems 2025-06-04 Erik G. Larsson , Nicolo Michelusi

The dynamic mode decomposition (DMD) is a data-driven approach that extracts the dominant features from spatiotemporal data. In this work, we introduce sparse-mode DMD, a new variant of the optimized DMD framework that specifically…

Machine Learning · Statistics 2025-07-29 Sara M. Ichinaga , Steven L. Brunton , Aleksandr Y. Aravkin , J. Nathan Kutz

Domain decomposition methods (DDMs) provide a unifying framework for the scalable numerical solution of partial differential equations. Originating from Schwarz's alternating method, they have evolved into a rich family of algorithms that…

Numerical Analysis · Mathematics 2026-05-26 Victorita Dolean , Pierre Jolivet , Frédéric Nataf , Pierre-Henri Tournier

This note proposes a simple and general framework of dynamic mode decomposition (DMD) and a mode selection for large datasets. The proposed framework explicitly introduces a preconditioning step using an incremental proper orthogonal…

Fluid Dynamics · Physics 2017-08-02 Yuya Ohmichi

We introduce a computationally efficient method for the automation of inverse design in science and engineering. Based on simple least-square regression, the underlying dynamic mode decomposition algorithm can be used to construct a…

Machine Learning · Computer Science 2025-02-14 Yunpeng Zhu , Liangliang Cheng , Anping Jing , Hanyu Huo , Ziqiang Lang , Bo Zhang , J. Nathan Kutz

Cellular structures manifest their outstanding mechanical properties in many biological systems. One key challenge for designing and optimizing these geometrically complicated structures lies in devising an effective geometric…

We address in this thesis the current need to design new parallel algorithms and tools that ease the development of geodynamic modelling applications that are suited for today's and tomorrow's hardware. We present (1) the MATLAB HPC…

Geophysics · Physics 2022-07-19 Samuel Omlin , Ludovic Räss , Benjamin Malvoisin , Yury Y. Podladchikov

In outdoor acoustics, the calculations of sound propagating in air can be computationally heavy if the domain is chosen large enough to fulfil the Sommerfeld radiation condition. By strategically truncating the computational domain with a…

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