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科学研究的第五范式——以智能驱动的材料设计为例

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Engineering 2023年第5期24卷 126-137,I0003,I0004页

作者： Can Leng Zhuo Tang Yi-Ge Zhou Zean Tian Wei-Qing Huang Jie Liu Keqin Li Kenli Li Science and Technology on Parallel and Distributed Processing Laboratory National University of Defense TechnologyChangsha 410073China Laboratory of Software Engineering for Complex Systems National University of Defense TechnologyChangsha 410073China National Supercomputing Center in Changsha Changsha 410082China College of Computer Science and Electronic Engineering Hunan UniversityChangsha 410082China Institute of Chemical Biology and Nanomedicine State Key Laboratory of Chemo/Biosensing and ChemometricsCollege of Chemistry and Chemical EngineeringHunan UniversityChangsha 410082China Department of Applied Physics School of Physics and ElectronicsHunan UniversityChangsha 410082China Department of Computer Science State University of New YorkNew PaltzNY 12561USA

科学正在进入一个新时代——第五范式——它被认为是知识整合到不同领域的主要特征,是基于无所不在的机器学习系统的计算社区中智能驱动的工作。在此,我们通过在天河一号超级计算机系统上构建的催化材料专门设计的典型平台案例,生动地... 详细信息

科学正在进入一个新时代——第五范式——它被认为是知识整合到不同领域的主要特征,是基于无所不在的机器学习系统的计算社区中智能驱动的工作。在此,我们通过在天河一号超级计算机系统上构建的催化材料专门设计的典型平台案例,生动地阐明了第五范式的本质,旨在促进第五范式在其他领域的培养。第五范式平台主要包括模型自动构建(原始数据提取)、指纹自动构建(神经网络特征选择)以及跨学科知识串联的重复迭代(“火山图”)。与分解一起进行的是对迭代中实现的体系结构的性能评估。通过讨论,第五范式的智能驱动平台可以极大地简化和改进研究中极其繁琐和具有挑战性的工作,并通过补偿机器学习中缺少样本和替代一些由于计算资源不足而导致的数值计算来实现数值计算与机器学习之间的相互反馈,从而加速探索过程。在数据驱动的学科中,跨学科专家的协同作用和对动态数据需求的急剧增长仍然是一个挑战。我们相信,对第五范式平台的一瞥可以为其在其他领域的应用铺平道路。

关键词：机器学习自动构建天河一号数据驱动神经网络动态数据知识整合科学研究

Machine learning methods in Smartphone-Based Activity Recognition

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Machine learning methods in Smartphone-Based Activity Recogn...

International Symposium on Applied Computational Intelligence and Informatics ( SACI)

作者： Istvan Pintye Laboratory of Parallel and Distributed Systems Institute for Computer Science and Control (SZTAKI) Hungary

ISBN: (数字)9781728173771

ISBN: (纸本)9781728173788

In this paper, we present a system for human physical Activity Recognition (AR) using smartphone with embedded sensors. This paper addresses the question whether there is a comfortable way to predict human activities based on collected data from smartphone embedded gyroscope and accelerometer. Computational background of this work based on self-learning machine learning methods. In order to train the machine learning algorithms, The University of California, Irvine (UCI) dataset was used and the different models were compared. After selecting the best model further modifications were suggested in order to improve the accuracy of the model. At the end 96.88% accuracy was reached.

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Discretized boundary surface reconstruction

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arXiv 2021年

作者： Jančič, Mitja Cvrtila, Viktor Kosec, Gregor Jožef Stefan International Postgraduate School Ljubljana Slovenia Jožef Stefan Institute Parallel and Distributed Systems Laboratory Ljubljana Slovenia Faculty of Mathematics and Physics University of Ljubljana Ljubljana Slovenia

Domain discretization is an essential part of the solution procedure in numerical simulations. Meshless methods simplify the domain discretization to positioning of nodes in the interior and on the boundary of the domain. However, generally speaking, the shape of the boundary is often undefined and thus needs to be constructed before it can be discretized with a desired internodal spacing. Domain shape construction is far from trivial and is the main challenge of this paper. We tackle the simulation of moving boundary problems where the lack of domain shape information can introduce difficulties. We present a solution for 2D surface reconstruction from discretization points using cubic splines and thus providing a surface description anywhere in the domain. We also demonstrate the presented algorithm in a simulation of phase-change-like problem. Copyright © 2021, The Authors. All rights reserved.

关键词： Surface reconstruction

Polyjuice: High-performance transactions via learned concurrency control

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arXiv 2021年

作者： Wang, Jiachen Ding, Ding Wang, Huan Christensen, Conrad Wang, Zhaoguo Chen, Haibo Li, Jinyang Institute of Parallel and Distributed Systems Shanghai Jiao Tong University China Shanghai AI Laboratory China Engineering Research Center for Domain-specific Operating Systems Ministry of Education China Department of Computer Science New York University

Concurrency control algorithms are key determinants of the performance of in-memory databases. Existing algorithms are designed to work well for certain workloads. For example, optimistic concurrency control (OCC) is better than twophase- locking (2PL) under low contention, while the converse is true under high contention. To adapt to different workloads, prior works mix or switch between a few known algorithms using manual insights or simple heuristics. We propose a learning-based framework that instead explicitly optimizes concurrency control via offline training to maximize performance. Instead of choosing among a small number of known algorithms, our approach searches in a "policy space" of fine-grained actions, resulting in novel algorithms that can outperform existing algorithms by specializing to a given workload. We build Polyjuice based on our learning framework and evaluate it against several existing algorithms. Under different configurations of TPC-C and TPC-E, Polyjuice can achieve throughput numbers higher than the best of existing algorithms by 15% to 56%. Copyright © 2021, The Authors. All rights reserved.

关键词： Concurrency control

Discretized Boundary Surface Reconstruction

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Discretized Boundary Surface Reconstruction

Proceedings of the International Convention MIPRO

作者： Mitja Jančič Viktor Cvrtila Gregor Kosec “Jožef Stefan” International Postgraduate School Ljubljana Slovenia “Jožef Stefan” Institute Parallel and Distributed Systems Laboratory Ljubljana Slovenia Faculty of Mathematics and Physics University of Ljubljana Ljubljana Slovenia

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GPU accelerated RBF-FD solution of Poisson's equation

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arXiv 2021年

作者： Jančič, Mitja Slak, Jure Kosec, Gregor Jožef Stefan Institute Parallel and Distributed Systems Laboratory Ljubljana Slovenia Jožef Stefan International Postgraduate School Ljubljana Slovenia Faculty of Mathematics and Physics University of Ljubljana Ljubljana Slovenia

The Radial Basis Function-generated finite differences became a popular variant of local meshless strong form methods due to its robustness regarding the position of nodes and its controllable order of accuracy. In this paper, we present a GPU accelerated numerical solution of Poisson's equation on scattered nodes in 2D for orders from 2 up to 6. We specifically study the effect of using different orders on GPU acceleration efficiency. © 2021, CC BY-SA.

关键词： Poisson equation

Dynamic mode decomposition as an analysis tool for time-dependent partial differential equations

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arXiv 2022年

作者： Rot, Miha Horvat, Martin Kosec, Gregor Jozef Stefan International Postgraduate School Jamova cesta 39 Ljubljana1000 Slovenia "Jožef Stefan" Institute Parallel and Distributed Systems Laboratory Jamova cesta 39 Ljubljana1000 Slovenia University of Ljubljana Faculty of Mathematics and Physics Department of Physics Jadranska cesta 19 LjubljanaSI-1000 Slovenia

The time-dependent fields obtained by solving partial differential equations in two and more dimensions quickly overwhelm the analytical capabilities of the human brain. A meaningful insight into the temporal behaviour can be obtained by using scalar reductions, which, however, come with a loss of spatial detail. Dynamic Mode Decomposition is a data-driven analysis method that solves this problem by identifying oscillating spatial structures and their corresponding frequencies. This paper presents the algorithm and provides a physical interpretation of the results by applying the decomposition method to a series of increasingly complex examples. © 2022, CC BY.

关键词： Non Newtonian flow

P-refined RBF-FD solution of a Poisson problem

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arXiv 2021年

作者： Jančič, Mitja Slak, Jure Kosec, Gregor Jožef Stefan International Postgraduate School Jamova cesta 39 Ljubljana1000 Slovenia Jožef Stefan Institute Parallel and Distributed Systems Laboratory Jamova cesta 39 Ljubljana1000 Slovenia

Local meshless methods obtain higher convergence rates when RBF approximations are augmented with monomials up to a given order. If the order of the approximation method is spatially variable, the numerical solution is said to be p-refined. In this work, we employ RBF-FD approximation method with polyharmonic splines augmented with monomials and study the numerical properties of p-refined solutions, such as convergence orders and execution time. To fully exploit the refinement advantages, the numerical performance is studied on a Poisson problem with a strong source within the domain. Copyright © 2021, The Authors. All rights reserved.

关键词： Radial basis function networks

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arXiv 2024年

作者： Ren, Yingying Li, Qiuli Guo, Yangyang Pedrycz, Witold Xing, Lining Liu, Anfeng Song, Yanjie School of Computer Electronics and Information Guangxi University Nanning China Guangxi Key Laboratory of Multimedia Communications and Network Technology China Key Laboratory of Parallel Distributed and Intelligent Computing Guangxi University China School of Systems Science Beijing Jiaotong University Beijing China Department of Electrical and Computer Engineering University of Alberta Edmonton Canada Systems Research Institute Polish Academy of Sciences Poland Faculty of Engineering and Natural Sciences Department of Computer Engineering Sariyer Istanbul Turkey School of Electronic Engineering Xidian University Xian China School of Electronic Engineering Central South University Changsha China National Engineering Research Center of Maritime Navigation System Dalian Maritime University Dalian China

With the rapid development of the satellite industry, the information transmission network based on communication satellites has gradually become a major and important part of the future satellite ground integration network. However, the low transmission efficiency of the satellite data relay back mission has become a problem that is currently constraining the construction of the system and needs to be solved urgently. Effectively planning the task of satellite ground networking by reasonably scheduling resources is crucial for the efficient transmission of task data. In this paper, we hope to provide a task execution scheme that maximizes the profit of the networking task for satellite ground network planning considering feeding mode (SGNPFM). To solve the SGNPFM problem, a mixed-integer planning model with the objective of maximizing the gain of the link-building task is constructed, which considers various constraints of the satellite in the feed-switching mode. Based on the problem characteristics, we propose a distance similarity-based genetic optimization algorithm (DSGA), which considers the state characteristics between the tasks and introduces a weighted Euclidean distance method to determine the similarity between the tasks. To obtain more high-quality solutions, different similarity evaluation methods are designed to assist the algorithm in intelligently screening individuals. The DSGAalso uses an adaptive crossover strategy based on similarity mechanism, which guides the algorithm to achieve efficient population search. In addition, a task scheduling algorithm considering the feed-switching mode is designed for decoding the algorithm to generate a highquality scheme. The results of simulation experiments show that the DSGA can effectively solve the SGNPFM problem. Compared to other algorithms, the proposed algorithm not only obtains higher quality planning schemes but also has faster algorithm convergence speed. The proposed algorithm improves data trans

关键词： Profitability