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This paper investigates co-scheduling algorithms for processing a set of parallel applications. Instead of executing each application one by one, using a maximum degree of parallelism for each of them, we aim at scheduling several…

Data Structures and Algorithms · Computer Science 2013-05-01 Guillaume Aupy , Manu Shantharam , Anne Benoit , Yves Robert , Padma Raghavan

The use of copula-based models in EDAs (estimation of distribution algorithms) is currently an active area of research. In this context, the copulaedas package for R provides a platform where EDAs based on copulas can be implemented and…

Neural and Evolutionary Computing · Computer Science 2014-07-02 Yasser Gonzalez-Fernandez , Marta Soto

Simulating the dynamics of charged particles in quasi-two-dimensional (quasi-2D) nanoconfined systems presents a significant computational challenge due to the long-range nature of electrostatic interactions and the geometric anisotropy. To…

Soft Condensed Matter · Physics 2026-01-07 Zecheng Gan , Xuanzhao Gao , Yuqing Li

Stochastic, spatial reaction-diffusion simulations have been widely used in systems biology and computational neuroscience. However, the increasing scale and complexity of simulated models and morphologies have exceeded the capacity of any…

Quantitative Methods · Quantitative Biology 2016-10-10 Weiliang Chen , Erik De Schutter

Dynamic operating envelopes (DOEs) offer an attractive solution for maintaining network integrity amidst increasing penetration of distributed energy resources (DERs) in low-voltage (LV) networks. Currently, the focus of DOEs primarily…

Systems and Control · Electrical Eng. & Systems 2023-11-28 Gayan Lankeshwara , Rahul Sharma , M. R. Alam , Ruifeng Yan , Tapan K. Saha

Performance and energy are the two most important objectives for optimisation on modern parallel platforms. Latest research demonstrated the importance of workload distribution as a decision variable in the bi-objective optimisation for…

Distributed, Parallel, and Cluster Computing · Computer Science 2019-07-10 Hamidreza Khaleghzadeh , Muhammad Fahad , Arsalan Shahid , Ravi Reddy Manumachu , Alexey Lastovetsky

We describe a scheme for efficient large-scale electronic-structure calculations based on the combination of the pole expansion and selected inversion (PEXSI) technique with the SIESTA method, which uses numerical atomic orbitals within the…

Computational Physics · Physics 2015-06-19 Lin Lin , Alberto García , Georg Huhs , Chao Yang

We report on the design, implementation, optimization, and performance of the CADISHI software package, which calculates histograms of pair-distances of ensembles of particles on CPUs and GPUs. These histograms represent 2-point spatial…

Computational Physics · Physics 2019-02-20 Klaus Reuter , Jürgen Köfinger

The scattering-adapted flexible inner region ensemble separator (SAFIRES) is a partitioning scheme designed to divide a simulation cell into two regions to be treated with different computational methodologies. SAFIRES prevents particles…

Chemical Physics · Physics 2022-03-25 Björn Kirchhoff , Elvar Örn Jónsson , Asmus Ougaard Dohn , Timo Jacob , Hannes Jónsson

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

Data structures for efficient sampling from a set of weighted items are an important building block of many applications. However, few parallel solutions are known. We close many of these gaps both for shared-memory and distributed-memory…

Data Structures and Algorithms · Computer Science 2021-07-20 Lorenz Hübschle-Schneider , Peter Sanders

We present an analysis of different methods to calculate the classical electrostatic Hartree potential created by charge distributions. Our goal is to provide the reader with an estimation on the performance ---in terms of both numerical…

Stochastic simulation methods can be applied successfully to model exact spatio-temporally resolved reaction-diffusion systems. However, in many cases, these methods can quickly become extremely computationally intensive with increasing…

Quantitative Methods · Quantitative Biology 2016-04-29 Jonathan U. Harrison , Christian A. Yates

The implementation difficulties of combining distribution matching (DM) and dematching (invDM) for probabilistic shaping (PS) with soft-decision forward error correction (FEC) coding can be relaxed by reverse concatenation, for which the…

Signal Processing · Electrical Eng. & Systems 2024-01-25 Tsuyoshi Yoshida , Magnus Karlsson , Erik Agrell

Dynamic operating envelopes (DOEs) have been introduced to integrate distributed energy resources (DER) in distribution networks via real-time management of network capacity limits. Recent research demonstrates that uncertainties in DOE…

Optimization and Control · Mathematics 2024-01-03 Bin Liu , Julio H. Braslavsky

We present randomized distributed algorithms for the maximal independent set problem (MIS) that, while keeping the time complexity nearly matching the best known, reduce the energy complexity substantially. These algorithms work in the…

Data Structures and Algorithms · Computer Science 2023-05-24 Mohsen Ghaffari , Julian Portmann

A new parallel algorithm utilizing partitioned global address space (PGAS) programming model to achieve high scalability is reported for particle tracking in direct numerical simulations of turbulent flow. The work is motivated by the…

Computational Physics · Physics 2020-05-28 Dhawal Buaria , P. K. Yeung

Parallelism of tight-binding molecular dynamics simulations is presented by means of the order-N electronic structure theory with the Wannier states, recently developed (J. Phys. Soc. Jpn. 69,3773 (2000)). An application is tested for…

Materials Science · Physics 2009-11-10 Masaaki Geshi , Takeo Hoshi , Takeo Fujiwara

Large-scale integration of plug-in electric vehicles (PEV) in power systems can cause severe issues to the existing distribution system, such as branch congestions and significant voltage drops. As a consequence, smart charging strategies…

Optimization and Control · Mathematics 2012-07-24 Qiao Li , Rohit Negi , Marija D. Ilic

The Cahn-Hilliard-Navier-Stokes (CHNS) equations represent the fundamental building blocks of hydrodynamic phase-field models for multiphase fluid flow dynamics. Due to the coupling between the Navier-Stokes equation and the Cahn-Hilliard…

Numerical Analysis · Mathematics 2021-07-28 Jia Zhao