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Enhanced sampling algorithms have emerged as powerful methods to extend the utility of molecular dynamics simulations and allow the sampling of larger portions of the configuration space of complex systems in a given amount of simulation…

统计力学 · 物理学 2022-12-19 Jérôme Hénin , Tony Lelièvre , Michael R. Shirts , Omar Valsson , Lucie Delemotte

Large language models are redefining software engineering by implementing AI-powered techniques throughout the whole software development process, including requirement gathering, software architecture, code generation, testing, and…

软件工程 · 计算机科学 2024-06-11 Malik Abdul Sami , Muhammad Waseem , Zeeshan Rasheed , Mika Saari , Kari Systä , Pekka Abrahamsson

This paper presents a seamless algorithm for the application of the multilevel Monte Carlo (MLMC) method to the ensemble transform particle filter (ETPF). The algorithm uses a combination of optimal coupling transformations between coarse…

数值分析 · 数学 2017-06-15 Alastair Gregory , Colin Cotter

Analyzing the interactions between the transmission and distribution (T&D) system is becoming imperative with the increased penetrations of distributed energy resources (DERs) on electric power distribution networks. An assessment of the…

系统与控制 · 电气工程与系统科学 2019-12-17 Gayathri Krishnamoorthy , Anamika Dubey

Accurate early prediction of software defects is essential to maintain software quality and reduce maintenance costs. However, the field of software defect prediction (SDP) faces challenges such as class imbalances, high-dimensional feature…

软件工程 · 计算机科学 2024-10-15 Jie Zhang , Dongcheng Li , W. Eric Wong , Shengrong Wang

The top-down approach of engineering software integration is considered in this parer. A set of advantages of this approach are presented, by examples. All examples are supplied by open source code.

计算工程、金融与科学 · 计算机科学 2009-08-07 Petr R. Ivankov

Combining the results of different search engines in order to improve upon their performance has been the subject of many research papers. This has become known as the "Data Fusion" task, and has great promise in dealing with the vast…

信息检索 · 计算机科学 2018-02-13 Weinan Huang , Junyi Chen , Lei Meng , David Lillis

In particle simulations, the weights of particles determine how many physical particles they represent. Adaptively adjusting these weights can greatly improve the efficiency of the simulation, without creating severe nonphysical artifacts.…

计算物理 · 物理学 2014-11-05 Jannis Teunissen , Ute Ebert

Cosimulation methods allow combination of simulation tools of physical systems running in parallel to act as a single simulation environment for a big system. As data is passed across subsystem boundaries instead of solving the system as…

计算工程、金融与科学 · 计算机科学 2017-03-21 Dirk Scharff , Thilo Moshagen , Jaroslav Vondřejc

Many industrial tasks-such as sanding, installing fasteners, and wire harnessing-are difficult to automate due to task complexity and variability. We instead investigate deploying robots in an assistive role for these tasks, where the robot…

机器人学 · 计算机科学 2024-01-24 Michael Hagenow , Emmanuel Senft , Robert Radwin , Michael Gleicher , Michael Zinn , Bilge Mutlu

We propose a method for efficiently coupling the finite element method with atomistic simulations, while using molecular dynamics or kinetic Monte Carlo techniques. Our method can dynamically build an optimized unstructured mesh that…

计算工程、金融与科学 · 计算机科学 2018-05-23 Mihkel Veske , Andreas Kyritsakis , Kristjan Eimre , Vahur Zadin , Alvo Aabloo , Flyura Djurabekova

We present a detailed comparison of two approaches, the use of a pre-calculated database and simulated annealing (SA), for fitting the continuum spectral energy distribution (SED) of astrophysical objects whose appearance is dominated by…

地球与行星天体物理 · 物理学 2015-06-12 Yao Liu , David Madlener , Sebastian Wolf , Hongchi Wang

Searching for potential active compounds in large databases is a necessary step to reduce time and costs in modern drug discovery pipelines. Such virtual screening methods seek to provide predictions that allow the search space to be…

生物大分子 · 定量生物学 2023-05-23 Rafael Mena-Yedra , Juana L. Redondo , Horacio Pérez-Sánchez , Pilar M. Ortigosa

One of the ultimate goals of software engineering is to leave virtual spaces and move real things. We take one step toward supporting users with this goal by connecting a type-based synthesis algorithm, (CL)S, and its IDE to a logistics lab…

人机交互 · 计算机科学 2019-12-24 Jan Bessai , Moritz Roidl , Anna Vasileva

The coupled simulations of dynamic interactions between the well, hydraulic fractures and reservoir have significant importance in some areas of petroleum reservoir engineering. Several approaches to the problem of coupling between the…

计算工程、金融与科学 · 计算机科学 2020-05-05 Vitalii Aksenov , Maxim Chertov , Konstantin Sinkov

Data centres that use consumer-grade disks drives and distributed peer-to-peer systems are unreliable environments to archive data without enough redundancy. Most redundancy schemes are not completely effective for providing high…

分布式、并行与集群计算 · 计算机科学 2018-10-09 Vero Estrada-Galiñanes , Ethan Miller , Pascal Felber , Jehan-François Pâris

In the fields of image restoration and image fusion, model-driven methods and data-driven methods are the two representative frameworks. However, both approaches have their respective advantages and disadvantages. The model-driven methods…

图像与视频处理 · 电气工程与系统科学 2024-05-15 Huanfeng Shen , Menghui Jiang , Jie Li , Chenxia Zhou , Qiangqiang Yuan , Liangpei Zhang

We formulate a new atomistic/continuum (a/c) coupling scheme that employs the boundary element method (BEM) to obtain an improved far-field boundary condition. We establish sharp error bounds in a 2D model problem for a point defect…

数值分析 · 数学 2017-09-27 A. S. Dedner , C. Ortner , H. Wu

Association rule mining is a time consuming process due to involving both data intensive and computation intensive nature. In order to mine large volume of data and to enhance the scalability and performance of existing sequential…

分布式、并行与集群计算 · 计算机科学 2017-09-25 Sudhakar Singh , Rakhi Garg , P. K. Mishra

Using data warehouses to analyse multidimensional data is a significant task in company decision-making.The data warehouse merging process is composed of two steps: matching multidimensional components and then merging them. Current…

数据库 · 计算机科学 2021-07-27 Yuzhao Yang , Jérôme Darmont , Franck Ravat , Olivier Teste