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We present a local and transferable machine learning approach capable of predicting the real-space density response of both molecules and periodic systems to external homogeneous electric fields. The new method, SALTER, builds on the…

化学物理 · 物理学 2023-07-19 Alan M Lewis , Paolo Lazzaroni , Mariana Rossi

Electrical power systems are increasing in size, complexity, as well as dynamics due to the growing integration of renewable energy resources, which have sporadic power generation. This necessitates the development of near real-time power…

机器学习 · 计算机科学 2023-03-02 Ognjen Kundacina , Gorana Gojic , Mile Mitrovic , Dragisa Miskovic , Dejan Vukobratovic

This paper proposes a paradigm of uncertainty injection for training deep learning model to solve robust optimization problems. The majority of existing studies on deep learning focus on the model learning capability, while assuming the…

机器学习 · 计算机科学 2023-02-28 Wei Cui , Wei Yu

"Particle methods" are sequential Monte Carlo algorithms, typically involving importance sampling, that are used to estimate and sample from joint and marginal densities from a collection of a, presumably increasing, number of random…

统计计算 · 统计学 2014-07-17 J. N. Corcoran , D. Jennings

Edge inference has become more widespread, as its diverse applications range from retail to wearable technology. Clusters of networked resource-constrained edge devices are becoming common, yet no system exists to split a DNN across these…

网络与互联网体系结构 · 计算机科学 2023-04-25 Arjun Parthasarathy , Bhaskar Krishnamachari

Event-driven molecular dynamics is a valuable tool in condensed and soft matter physics when particles can be modeled as hard objects or more generally if their interaction potential can be modeled in a stepwise fashion. Hard spheres model…

计算物理 · 物理学 2015-05-19 Cristiano De Michele

Premature convergence in particle swarm optimization (PSO) algorithm usually leads to gaining local optimum and preventing from surveying those regions of solution space which have optimal points in. In this paper, by applying special…

神经与进化计算 · 计算机科学 2018-07-03 Anvar Bahrampour , Omid Mohamad Nezami

The emergence and understanding of new design paradigms that exploit flow induced mechanical instabilities for propulsion or energy harvesting demands robust and accurate flow structure interaction numerical models. In this context, we…

流体动力学 · 物理学 2019-05-22 Caroline Bernier , Mattia Gazzola , Renaud Ronsse , Philippe Chatelain

The problem Power Dominating Set (PDS) is motivated by the placement of phasor measurement units to monitor electrical networks. It asks for a minimum set of vertices in a graph that observes all remaining vertices by exhaustively applying…

数据结构与算法 · 计算机科学 2023-06-19 Thomas Bläsius , Max Göttlicher

A new methodology is developed to integrate numerically the equations of motion for classical many-body systems in molecular dynamics simulations. Its distinguishable feature is the possibility to preserve, independently on the size of the…

统计力学 · 物理学 2009-10-31 I. P. Omelyan , I. M. Mryglod , R. Folk

This work presents novel discrete event-based simulation algorithms based on the Quantized State System (QSS) numerical methods. QSS provides attractive features for particle transportation processes, in particular a very efficient handling…

计算物理 · 物理学 2021-09-16 Lucio Santi , Lucas Rossi , Rodrigo Castro

The numerical computation of chemical potential in dense, non-homogeneous fluids is a key problem in the study of confined fluids thermodynamics. To this day several methods have been proposed, however there is still need for a robust…

化学物理 · 物理学 2018-05-09 Claudio Perego , Omar Valsson , Michele Parrinello

Image decomposition plays a crucial role in various computer vision tasks, enabling the analysis and manipulation of visual content at a fundamental level. Overlapping images, which occur when multiple objects or scenes partially occlude…

计算机视觉与模式识别 · 计算机科学 2024-06-06 Saúl Alonso-Monsalve , Davide Sgalaberna , Xingyu Zhao , Adrien Molines , Clark McGrew , André Rubbia

Coarse-grained models that preserve hydrodynamics provide a natural approach to study collective properties of soft-matter systems. Here, we demonstrate that commonly used integration schemes in dissipative particle dynamics give rise to…

软凝聚态物质 · 物理学 2009-10-31 Gerhard Besold , Ilpo Vattulainen , Mikko Karttunen , James M. Polson

We propose an improved effective-medium theory to obtain the concentration dependence of the viscosity of particle suspensions at arbitrary volume fractions. Our methodology can be applied, in principle, to any particle shape as long as the…

软凝聚态物质 · 物理学 2010-06-01 I. Santamaria-Holek , Carlos I. Mendoza

Deep neural networks are a promising solution for applications that solve problems based on learning data sets. DNN accelerators solve the processing bottleneck as a domain-specific processor. Like other hardware solutions, there must be…

硬件体系结构 · 计算机科学 2022-11-08 Midia Reshadi , David Gregg

Addition of particles to a viscoelastic suspension dramatically alters the properties of the mixture, particularly when it is sheared or otherwise processed. Shear-induced stretching of the polymers results in elastic stress that causes a…

软凝聚态物质 · 物理学 2023-06-28 Sijie Sun , Nan Xue , Stefano Aime , Hyoungsoo Kim , Jizhou Tang , Gareth H. McKinley , Howard A. Stone , David A. Weitz

The finite element method (FEM) is among the most commonly used numerical methods for solving engineering problems. Due to its computational cost, various ideas have been introduced to reduce computation times, such as domain decomposition,…

计算工程、金融与科学 · 计算机科学 2019-11-07 Andrea Mendizabal , Pablo Márquez-Neila , Stéphane Cotin

An increasing number of software applications incorporate runtime Deep Neural Networks (DNNs) to process sensor data and return inference results to humans. Effective deployment of DNNs in these interactive scenarios requires meeting…

性能 · 计算机科学 2024-07-09 Chengcheng Wan , Muhammad Santriaji , Eri Rogers , Henry Hoffmann , Michael Maire , Shan Lu

In molecular simulation and fluid mechanics, the coupling of a particle domain with a continuum representation of its embedding environment is an ongoing challenge. In this work, we show a novel approach where the latest version of the…

计算物理 · 物理学 2022-12-14 Abbas Gholami , Rupert Klein , Luigi Delle Site