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Energy systems models, critical for power sector decision support, incur non-linear memory and runtime penalties when scaling up under typical formulations. Even hardware improvements cannot make large models tractable, requiring omission…

Signal Processing · Electrical Eng. & Systems 2024-06-26 Anna F. Jacobson , Denise L. Mauzerall , Jesse D. Jenkins

Molecular simulations and biophysical experiments can be used to provide independent and complementary insights into the molecular origin of biological processes. A particularly useful strategy is to use molecular simulations as a modelling…

Chemical Physics · Physics 2019-12-10 Simone Orioli , Andreas Haahr Larsen , Sandro Bottaro , Kresten Lindorff-Larsen

Class imbalance in real-world data poses a common bottleneck for machine learning tasks, since achieving good generalization on under-represented examples is often challenging. Mitigation strategies, such as under or oversampling the data…

Disordered Systems and Neural Networks · Physics 2025-02-03 Emanuele Loffredo , Mauro Pastore , Simona Cocco , Rémi Monasson

Modeling complex physical systems such as they arise in civil engineering applications requires finding a trade-off between physical fidelity and practicality. Consequently, deviations of simulation from measurements are ubiquitous even…

Computational Engineering, Finance, and Science · Computer Science 2026-03-18 Paolo Villani , Daniel Andrés Arcones , Jörg F. Unger , Martin Weiser

This short paper deals with parallel scientific applications using non-blocking and periodic coordinated checkpointing to enforce resilience. We provide a model and detailed formulas for total execution time and consumed energy. We…

Distributed, Parallel, and Cluster Computing · Computer Science 2013-11-01 Guillaume Aupy , Anne Benoit , Thomas Hérault , Yves Robert , Jack Dongarra

This paper complements the large body of social sensing literature by developing means for augmenting sensing data with inference results that "fill-in" missing pieces. It specifically explores the synergy between (i) inference techniques…

Accurate solution of the many-electron problem including correlations remains intractable except for few-electron systems. Describing interacting electrons as a superposition of independent electron configurations results in an apparent…

Computational Physics · Physics 2024-02-20 J. C. Greer

Heterogeneous systems are present from powerful supercomputers, to mobile devices, including desktop computers, thanks to their excellent performance and energy consumption. The ubiquity of these architectures in both desktop systems and…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-10-27 Raúl Nozal , Jose Luis Bosque , Ramon Beivide

The distribution of electrical energy faces global challenges, such as increasing demand, the integration of distributed generation, high energy losses, and the need to improve service quality. In particular, load imbalance-where loads are…

Neural and Evolutionary Computing · Computer Science 2025-08-18 Juan M. Bordón , Victor A. Jimenez , Adrian Will

We review error estimation methods for co-simulation, in particular methods that are applicable when the subsystems provide minimal interfaces. By this, we mean that subsystems do not support rollback of time steps, do not output…

Computational Engineering, Finance, and Science · Computer Science 2025-10-28 Lars T. Kyllingstad , Severin Sadjina , Stian Skjong

Many-body quantum systems in nonequilibrium remain one of the frontiers of many-body physics. While there has been significant advances in describing the short-time evolution of these systems using a variety of different numerical…

Quantum Physics · Physics 2021-01-05 Herbert F. Fotso , Eric Dohner , Alexander Kemper , James K. Freericks

Competing phases or interactions in complex many-particle systems can result in free energy barriers that strongly suppress thermal equilibration. Here we discuss how extended ensemble Monte Carlo simulations can be used to study the…

Statistical Mechanics · Physics 2007-05-23 S. Trebst , D. A. Huse , E. Gull , H. G. Katzgraber , U. H. E. Hansmann , M. Troyer

Besides the well-known effect of autocorrelations in time series of Monte Carlo simulation data resulting from the underlying Markov process, using the same data pool for computing various estimates entails additional cross correlations.…

Statistical Mechanics · Physics 2014-11-20 Martin Weigel , Wolfhard Janke

A method for increasing the accuracy of configuration interaction (CI) calculations of molecules and other electronic systems is proposed. The energy defect of a given calculation is associated with the electron pair origin of…

Chemical Physics · Physics 2025-11-18 Jerry L. Whitten

We consider a type of optimal switching problems with non-uniform execution delays and ramping. Such problems frequently occur in the operation of economical and engineering systems. We first provide a solution to the problem by applying a…

Optimization and Control · Mathematics 2017-02-15 Magnus Perninge

The design space of networked embedded systems is very large, posing challenges to the optimisation of such platforms when it comes to support applications with real-time guarantees. Recent research has shown that a number of inter-related…

Performance · Computer Science 2020-07-21 Leandro Soares Indrusiak , Robert I. Davis , Piotr Dziurzanski

This paper considers errors-in-variables models in a high-dimensional setting where the number of covariates can be much larger than the sample size, and there are only a small number of non-zero covariates. The presence of measurement…

Methodology · Statistics 2018-09-03 Linh Nghiem , Cornelis Potgieter

We extend replica exchange simulation in two ways, and apply our approaches to biomolecules. The first generalization permits exchange simulation between models of differing resolution -- i.e., between detailed and coarse-grained models.…

Biomolecules · Quantitative Biology 2009-11-11 Edward Lyman , F. Marty Ytreberg , Daniel M. Zuckerman

In recent years, there is a growing body of causal inference literature focusing on covariate balancing methods. These methods eliminate observed confounding by equalizing covariate moments between the treated and control groups. The…

Methodology · Statistics 2024-06-14 Xialing Wen , Ying Yan

We demonstrate that is it possible to simulate a system in thermal equilibrium even when the energy cannot be evaluated exactly, provided the error distribution is known. This leads to an effective optimisation strategy for problems where…

Statistical Mechanics · Physics 2009-11-10 Robin C. Ball , Thomas M. A. Fink , Neill E. Bowler