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Fuzzy‐set qualitative comparative analysis (fsQCA) for validating causal relationships in system dynamics models 用于验证系统动力学模型中因果关系的模糊集定性比较分析(fsQCA)
Pub Date : 2024-02-04 DOI: 10.1002/eng2.12855
Muhammad Shalahuddin, W. Sunindyo, Mohammad Ridwan Effendi, K. Surendro
Modelers often create diverse system dynamics models for the same issue, depending on their viewpoints, which can decrease stakeholder assurance. Validating system dynamics may enhance stakeholder confidence. This study suggests using fuzzy‐set qualitative comparative analysis (fsQCA) as a technique based on a set theory approach to validate the causal connections between entities in causal loop diagram (CLD) models. This case study analyzed the issue of Indonesian mobile network operators with limited sample data, utilizing the fsQCA method to test causal connections between entities in the CLD model that require validation. Following the creation of the CLD model through the system dynamics methodology, fsQCA was employed to enhance the previously formed model. The fsQCA method fuses qualitative comparative analysis (QCA) with fuzzy set theory, permitting partial membership, and can identify causal links among entities in the CLD model. It assists in testing causal relationships using limited sample data and boosts stakeholder confidence in the CLD model.
建模人员往往会根据自己的观点,为同一问题创建不同的系统动力学模型,这可能会降低利益相关者的信心。验证系统动力学可增强利益相关者的信心。本研究建议使用基于集合论方法的模糊集合定性比较分析(fsQCA)技术来验证因果循环图(CLD)模型中实体之间的因果联系。本案例研究利用有限的样本数据分析了印度尼西亚移动网络运营商的问题,利用fsQCA方法检验了CLD模型中需要验证的实体之间的因果联系。在通过系统动力学方法创建 CLD 模型后,利用 fsQCA 强化了之前形成的模型。fsQCA 方法融合了定性比较分析(QCA)和模糊集理论,允许部分成员关系,可以识别 CLD 模型中各实体之间的因果联系。它有助于利用有限的样本数据测试因果关系,增强利益相关者对 CLD 模型的信心。
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引用次数: 0
An elitist whale optimization algorithm with the nonlinear parameter: Algorithm and application 带有非线性参数的精英鲸鱼优化算法:算法与应用
Pub Date : 2024-02-04 DOI: 10.1002/eng2.12857
Yajing Zhang, Guoxu Zhang
To address the problem that the whale optimization algorithm tends to fall into the local optimum and fails to maintain a balance between exploration and exploitation, an elitist whale optimization algorithm with the nonlinear parameter (EWOANP) is proposed in this paper. An elitist strategy based on the random Cauchy mutation is used in the shrinking encircling mechanism to increase the chance of escaping the local optimum. Cleverly, the strategy is to generate mutation solutions based on the random Cauchy mutation, after which the better population is selected to proceed to the next iteration. Then, a nonlinear parameter is used in the logarithmic spiral mechanism to balance exploration and exploitation. Various numerical optimization experiments are performed based on the IEEE CEC2020 benchmark suite and compared with eleven other algorithms. The results show that EWOANP outperforms most competitors in numerical optimization. Finally, the backpropagation neural network is optimized by EWOANP to build a prediction model for the sulfur content in the molten iron. The experimental results based on production data indicate that the proposed prediction model has a relatively small fluctuation in errors. Compared to the other seven competitors, the proposed model has a better prediction performance with and =0.916619.
针对鲸鱼优化算法容易陷入局部最优、无法保持探索与开发平衡的问题,本文提出了一种带有非线性参数的精英鲸鱼优化算法(EWOANP)。在收缩包围机制中使用了基于随机考奇突变的精英策略,以增加逃离局部最优的机会。巧妙的是,该策略是在随机考奇突变的基础上产生突变解,然后选择较好的种群进行下一次迭代。然后,在对数螺旋机制中使用一个非线性参数来平衡探索和开发。基于 IEEE CEC2020 基准套件进行了各种数值优化实验,并与其他 11 种算法进行了比较。结果表明,EWOANP 在数值优化方面优于大多数竞争对手。最后,EWOANP 对反向传播神经网络进行了优化,以建立铁水中硫含量的预测模型。基于生产数据的实验结果表明,所提出的预测模型误差波动相对较小。与其他七个竞争者相比,所提出的预测模型具有更好的预测性能,和 =0.916619。
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引用次数: 0
Indoor air quality in Kazakh households: Evaluating PM2.5 levels generated by cooking activities 哈萨克家庭的室内空气质量:评估烹饪活动产生的 PM2.5 水平
Pub Date : 2024-02-02 DOI: 10.1002/eng2.12845
F. Karaca, Mert Guney, A. Agibayeva, Nurlan Otesh, M. Kulimbet, Natalya Glushkova, Yuefang Chang, Akira Sekikawa, K. Davletov
The present study introduces a concentration estimation model for indoor inhalable fine particles (PM2.5) during cooking activities in typical Kazakh houses, which are generally poorly ventilated with high emission levels. The aim of the present work is to identify factors influencing PM2.5 concentrations during cooking and elucidate the mechanisms underlying the build‐up and reduction of PM2.5 concentrations. These are achieved through a methodology that combines PM2.5 sampling, monitoring, and modeling to predict household PM2.5 levels and estimate daily concentrations. Specifically, USEPA's IAQX v1.1 was employed to simulate the one‐zone concept (kitchen) for concentrations related to cooking activities in several households. The results reveal that PM2.5 concentrations varied between 13 and 266 μg/m3 during cooking activities. Factors such as kitchen size, air exchange characteristics, and the type of food and cooking style were identified as important, influencing the observed concentrations. The model accurately captured concentration trends (R > 0.9). However, certain predictions tended to overestimate the measurements, attributing to inaccuracies in selecting air exchange and emission rates. Cooking activities contributed to household air pollutant (HAP) PM2.5 levels ranging from 9% to 94%. Notably, during the non‐heating period of the year (corresponding to the warmer half of the year), the impact of cooking became more significant and was identified as a major contributor to indoor PM2.5 concentrations. Conversely, during the heating period (i.e., the colder part of the year), outdoor PM levels and household ventilation practices played primary roles in regulating indoor air concentrations. This present study presents one of the initial efforts to assess household air pollutants in Central Asia, providing foundation and insights into the indoor air quality of Kazakh houses, where the understanding of indoor air quality remains limited. Future research recommendations include developing advanced models that account for individual activity patterns and specific house types for improved accuracy and representativeness.
本研究介绍了在典型的哈萨克民居中进行烹饪活动期间室内可吸入细颗粒物(PM2.5)的浓度估算模型,这些民居通常通风不良,排放水平较高。本研究的目的是确定影响烹饪过程中 PM2.5 浓度的因素,并阐明 PM2.5 浓度累积和降低的内在机制。这些都是通过一种结合 PM2.5 采样、监测和建模的方法来预测家庭 PM2.5 水平和估算每日浓度来实现的。具体地说,美国环保局的 IAQX v1.1 被用来模拟单区概念(厨房),模拟几个家庭中与烹饪活动有关的浓度。结果显示,在烹饪活动期间,PM2.5 浓度在 13 到 266 μg/m3 之间变化。厨房大小、空气交换特性、食物类型和烹饪方式等因素被认为是影响观察到的浓度的重要因素。该模型准确捕捉到了浓度趋势(R > 0.9)。然而,某些预测往往会高估测量结果,这是因为在选择空气交换和排放率时存在误差。烹饪活动对家庭空气污染物(HAP)PM2.5 水平的影响从 9% 到 94% 不等。值得注意的是,在一年中的非供暖期(相当于温暖的半年),烹饪的影响变得更加显著,并被确定为室内 PM2.5 浓度的主要贡献者。相反,在供暖期(即一年中较冷的部分),室外 PM 水平和家庭通风方式在调节室内空气浓度方面发挥着主要作用。本研究是中亚地区对家庭空气污染物进行评估的初步尝试之一,为了解哈萨克斯坦的室内空气质量提供了基础和见解。未来的研究建议包括开发考虑个人活动模式和特定房屋类型的先进模型,以提高准确性和代表性。
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引用次数: 0
Autopilot control unmanned aerial vehicle system for sewage defect detection using deep learning 利用深度学习自动驾驶控制无人机系统进行污水缺陷检测
Pub Date : 2024-01-29 DOI: 10.1002/eng2.12852
B. Pandey, Digvijay Pandey, S. K. Sahani
This work proposes the use of an unmanned aerial vehicle (UAV) with an autopilot to identify the defects present in municipal sewerage pipes. The framework also includes an effective autopilot control mechanism that can direct the flight path of a UAV within a sewer line. Both of these breakthroughs have been addressed throughout this work. The UAV's camera proved useful throughout a sewage inspection, providing important contextual data that helped analyze the sewerage line's internal condition. A plethora of information useful for understanding the sewerage line's inner functioning and extracting interior visual details can be obtained from camera‐recorded sewerage imagery if a defect is present. In the case of sewerage inspections, nevertheless, the impact of a false negative is significantly higher than that of a false positive. One of the trickiest parts of the procedure is identifying defective sewerage pipelines and false negatives. In order to get rid of the false negative outcome or false positive outcome, a guided image filter (GIF) is implemented in this proposed method during the pre‐processing stage. Afterwards, the algorithms Gabor transform (GT) and stroke width transform (SWT) were used to obtain the features of the UAV‐captured surveillance image. The UAV camera's sewerage image is then classified as “defective” or “not defective” using the obtained features by a Weighted Naive Bayes Classifier (WNBC). Next, images of the sewerage lines captured by the UAV are analyzed using speed‐up robust features (SURF) and deep learning to identify different types of defects. As a result, the proposed methodology achieved more favorable outcomes than prior existing approaches in terms of the following metrics: mean PSNR (71.854), mean MSE (0.0618), mean RMSE (0.2485), mean SSIM (98.71%), mean accuracy (98.372), mean specificity (97.837%), mean precision (93.296%), mean recall (94.255%), mean F1‐score (93.773%), and mean processing time (35.43 min).
这项工作建议使用带有自动驾驶仪的无人驾驶飞行器(UAV)来识别市政下水管道中存在的缺陷。该框架还包括一种有效的自动驾驶仪控制机制,可引导无人飞行器在下水管道内的飞行路径。这两项突破在整个工作中都得到了解决。事实证明,无人机的摄像头在整个下水道检查过程中都非常有用,它提供了重要的背景数据,有助于分析下水管道的内部状况。如果下水道存在缺陷,可以从相机记录的下水道图像中获取大量有用信息,以了解下水道的内部运作情况,并提取内部视觉细节。然而,在下水道检查中,假阴性的影响远远高于假阳性的影响。该程序最棘手的部分之一就是识别有缺陷的污水管道和假阴性。为了消除假阴性结果或假阳性结果,本建议方法在预处理阶段采用了引导图像滤波器(GIF)。之后,使用 Gabor 变换(GT)和笔画宽度变换(SWT)算法来获取无人机捕获的监控图像的特征。然后,通过加权 Naive Bayes 分类器(WNBC),利用获得的特征将无人机摄像头拍摄的下水道图像分类为 "有缺陷 "或 "无缺陷"。接下来,利用加速鲁棒特征(SURF)和深度学习对无人机拍摄的下水道图像进行分析,以识别不同类型的缺陷。结果,与先前的现有方法相比,所提出的方法在以下指标方面取得了更有利的结果:平均 PSNR(71.854)、平均 MSE(0.0618)、平均 RMSE(0.2485)、平均 SSIM(98.71%)、平均准确度(98.372)、平均特异度(97.837%)、平均精确度(93.296%)、平均召回率(94.255%)、平均 F1 分数(93.773%)和平均处理时间(35.43 分钟)。
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引用次数: 1
EPPTA: Efficient partially observable reinforcement learning agent for penetration testing applications EPPTA:用于渗透测试应用的高效部分可观察强化学习代理
Pub Date : 2023-12-15 DOI: 10.1002/eng2.12818
Zegang Li, Qian Zhang, Guangwen Yang
In recent years, penetration testing (pen‐testing) has emerged as a crucial process for evaluating the security level of network infrastructures by simulating real‐world cyber‐attacks. Automating pen‐testing through reinforcement learning (RL) facilitates more frequent assessments, minimizes human effort, and enhances scalability. However, real‐world pen‐testing tasks often involve incomplete knowledge of the target network system. Effectively managing the intrinsic uncertainties via partially observable Markov decision processes (POMDPs) constitutes a persistent challenge within the realm of pen‐testing. Furthermore, RL agents are compelled to formulate intricate strategies to contend with the challenges posed by partially observable environments, thereby engendering augmented computational and temporal expenditures. To address these issues, this study introduces EPPTA (efficient POMDP‐driven penetration testing agent), an agent built on an asynchronous RL framework, designed for conducting pen‐testing tasks within partially observable environments. We incorporate an implicit belief module in EPPTA, grounded on the belief update formula of the traditional POMDP model, which represents the agent's probabilistic estimation of the current environment state. Furthermore, by integrating the algorithm with the high‐performance RL framework, sample factory, EPPTA significantly reduces convergence time compared to existing pen‐testing methods, resulting in an approximately 20‐fold acceleration. Empirical results across various pen‐testing scenarios validate EPPTA's superior task reward performance and enhanced scalability, providing substantial support for efficient and advanced evaluation of network infrastructure security.
近年来,渗透测试(pen-testing)已成为通过模拟真实世界的网络攻击来评估网络基础设施安全级别的重要过程。通过强化学习(RL)实现笔测试自动化有助于提高评估频率,最大限度地减少人力,并增强可扩展性。然而,现实世界中的笔测试任务往往涉及对目标网络系统的不完全了解。通过部分可观测马尔可夫决策过程(POMDPs)有效管理内在不确定性,是笔测试领域的一项长期挑战。此外,RL 代理不得不制定复杂的策略来应对部分可观测环境带来的挑战,从而增加了计算和时间消耗。为了解决这些问题,本研究引入了 EPPTA(高效 POMDP 驱动的渗透测试代理),它是一种基于异步 RL 框架的代理,专为在部分可观测环境中执行渗透测试任务而设计。我们在 EPPTA 中加入了隐式信念模块,该模块以传统 POMDP 模型的信念更新公式为基础,代表了代理对当前环境状态的概率估计。此外,通过将该算法与高性能 RL 框架(样本工厂)集成,EPPTA 与现有的笔测试方法相比大大缩短了收敛时间,使收敛速度提高了约 20 倍。各种笔测试场景的实证结果验证了 EPPTA 优越的任务奖励性能和增强的可扩展性,为高效、先进的网络基础设施安全性评估提供了实质性支持。
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引用次数: 0
A learning‐based approach to regression analysis for climate data–A case of Northeast China 基于学习的气候数据回归分析方法--以中国东北地区为例
Pub Date : 2023-12-11 DOI: 10.1002/eng2.12797
Jiaxu Guo, Yidan Xu, Liang Hu, Xianwei Wu, Gaochao Xu, Xilong Che
Global climate change is an important issue that all of humanity needs to address together. Precipitation is an important climatic feature for agricultural development and food security, and the study of precipitation and its associated climatic factors is important for the analysis of global change. As an important part of China's food production, Northeast China has a temperate monsoon climate with simultaneous rain and heat, which is favorable for crop growth. In this paper, a scientific workflow for climate data analysis with a learning‐based method is designed. Using climate data from typical models in CMIP6, a machine learning‐based approach is used to establish regression relationships between precipitation and climate variables such as temperature, humidity and wind speed in Northeast China, which is validated through a time series approach. We design a weight‐based model ensemble method and a learning‐based bias correction method, so that the ensemble model can achieve better performance. We also analyze the precipitation trends in Northeast China under the three Shared Socio‐economic Pathways (SSPs). This will help researchers to analyze the long‐term evolution and factors of climate.
全球气候变化是全人类需要共同应对的重要问题。降水是农业发展和粮食安全的重要气候特征,研究降水及其相关气候因子对分析全球变化具有重要意义。作为中国粮食生产的重要组成部分,东北地区属于温带季风气候,雨热同期,有利于作物生长。本文设计了一种基于学习方法的气候数据分析科学工作流程。利用 CMIP6 中典型模式的气候数据,采用基于机器学习的方法建立了中国东北地区降水与温度、湿度和风速等气候变量之间的回归关系,并通过时间序列方法进行了验证。我们设计了基于权重的模型集合方法和基于学习的偏差校正方法,从而使集合模型获得更好的性能。我们还分析了三种共享社会经济路径(SSPs)下中国东北地区的降水趋势。这将有助于研究人员分析气候的长期演变和因素。
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引用次数: 0
Refactoring BZIP2 on the new‐generation sunway supercomputer 在新一代神威超级计算机上重构BZIP2
Pub Date : 2023-11-03 DOI: 10.1002/eng2.12806
Xiaohui Liu, Zekun Yin, Haodong Tian, Wubing Wan, Mengyuan Hua, Wenlai Zhao, Zhenchun Huang, Ping Gao, Fangjin Zhu, Hua Wang, Xiaohui Duan
High‐performance computing is progressively assuming a fundamental role in advancing scientific research and engineering domains. However, the ever‐expanding scales of scientific simulations pose challenges for efficient data I/O and storage. The data compression technology has garnered significant attention as a solution to reduce data transmission and storage costs while enhancing performance. In particular, the BZIP2 lossless compression algorithm has been widely used due to its exceptional compression ratio, moderate compression speed, high reliability, and open‐source nature. This paper focuses on the design and realization of a parallelized BZIP2 algorithm tailored for deployment on the New‐Generation Sunway supercomputing platform. By leveraging the unique cache patterns of the New‐Generation Sunway processor, we propose the highly tuned multi‐threading and multi‐node implementations of the BZIP2 applications for different scenarios. Moreover, we also propose the efficient BZIP2 libraries based on the management processing element and computing processing element which support the commonly used high‐level (de)compression interfaces. The test results indicate that the our multi‐threading implementation achieves maximum speedup of 23.09 (8.57) in decompression(compression) compared to the sequential implementation. Furthermore, the multi‐node implementation achieves 50.81% (26.35%) parallel efficiency and peak performance of 16.6 GB/s (52.8 GB/s) for compression(decompression) when scaling up to 2048 processes.
高性能计算在推进科学研究和工程领域中逐渐发挥着重要作用。然而,不断扩大的科学模拟规模对有效的数据I/O和存储提出了挑战。数据压缩技术作为一种既能降低数据传输和存储成本,又能提高性能的解决方案,受到了广泛关注。特别是,BZIP2无损压缩算法由于其特殊的压缩比、适中的压缩速度、高可靠性和开源性质而被广泛使用。本文研究了一种适合新一代神威超级计算平台部署的并行BZIP2算法的设计与实现。通过利用新一代神威处理器独特的缓存模式,我们提出了针对不同场景的BZIP2应用程序的高度调优的多线程和多节点实现。此外,我们还提出了基于管理处理元素和计算处理元素的高效BZIP2库,支持常用的高级(解)压缩接口。测试结果表明,与顺序实现相比,我们的多线程实现在解压缩(压缩)方面实现了23.09(8.57)的最大加速。此外,当扩展到2048个进程时,多节点实现实现了50.81%(26.35%)的并行效率和16.6 GB/s (52.8 GB/s)的压缩(解压缩)峰值性能。
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引用次数: 0
Accelerating ray tracing engine of BLENDER on the new Sunway architecture 在新的Sunway架构上加速BLENDER的光线追踪引擎
Pub Date : 2023-10-31 DOI: 10.1002/eng2.12789
Zhaoqi Sun, Zhen Wang, Mengyuan Hua, Puyu Xiong, Wubing Wan, Ping Gao, Wenlai Zhao, Zhenchun Huang, Lin Han
Abstract With the increasing popularity of high‐resolution displays, there is a growing demand for more realistic rendered images. Ray tracing has become the most effective algorithm for image rendering, but its complexity and large amount of computing data require sophisticated HPC solutions. In this article, we present our efforts to port the ray tracing engine CYCLES of Blender to the new generation of Sunway supercomputers. We propose optimizations that are tailored to the new hardware architecture, including a multi‐level parallel scheme that efficiently maps and scales Blender onto the novel Sunway architecture, strategies to address memory bottlenecks, a revised task dispatching method that achieves excellent load balancing, and a pipeline approach that maximizes computation and communication overlap. By combining all these optimizations, we achieve a significant reduction in rendering time for a single‐frame image, from 2260 s using the single‐core serial version to 71 s using 48 processes, which is a speedup of about 128×. Accelerating the ray tracing engine CYCLES of Blender in the new generation of Sunway supercomputers.
随着高分辨率显示器的日益普及,人们对更逼真的渲染图像的需求日益增长。光线追踪已经成为最有效的图像绘制算法,但其复杂性和庞大的计算数据需要复杂的HPC解决方案。在这篇文章中,我们展示了将Blender的光线追踪引擎周期移植到新一代神威超级计算机上的努力。我们提出了针对新硬件架构量身定制的优化方案,包括一个多层并行方案,可以有效地将Blender映射和扩展到新的Sunway架构上,解决内存瓶颈的策略,一个改进的任务调度方法,可以实现出色的负载平衡,以及一个最大化计算和通信重叠的管道方法。通过结合所有这些优化,我们实现了单帧图像渲染时间的显著减少,从使用单核串行版本的2260秒到使用48个进程的71秒,这是一个大约128倍的加速。加速新一代神威超级计算机Blender的光线追踪引擎周期。
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引用次数: 0
Long‐term performance of single‐lap joints: Review, challenges and prospects in civil engineering 单搭接节点的长期性能:土木工程的回顾、挑战与展望
Pub Date : 2023-09-19 DOI: 10.1002/eng2.12769
Yue Shu, Xuhong Qiang, Xu Jiang, Yi Xiao, Hao Dong
Abstract Compared with traditional technology, bonding technology is more suitable for civil structure reinforcement because of its cost‐efficiency and superior mechanical properties. However, research on the long‐term performance of single‐lap joints (SLJs) requires better organization and comprehension. This article aims to investigate the long‐term performance and optimization design of SLJs. The main factors influencing the long‐term performance of SLJs from both material and component levels are discussed. The moisture diffusion mechanisms of bulk adhesives and the degradation mechanisms of SLJs are explored. Moreover, the optimization design of SLJs focuses on evaluating the overlap length, adhesive layer thicknesses, and changes in adhesives along the overlap length based on available literature. It is found that the applicability of diffusion models should be validated, and the selection of the models should consider working environments and types of adhesives. Exploring failure mechanisms and design criteria for the mixed SLJs in hygrothermal environments with/without sustained or alternating load is significant for the optimization design. This article indicates the limitations on the shear strength and long‐term performance of SLJs in available studies and provides insights into the challenges and prospects of their optimization design.
摘要与传统的土木结构加固技术相比,粘接技术以其成本效益和优越的力学性能更适合于土木结构加固。然而,对单搭接接头(slj)长期性能的研究需要更好的组织和理解。本文旨在研究slj的长期性能和优化设计。从材料和元件两个层面讨论了影响slj长期性能的主要因素。探讨了块状胶粘剂的水分扩散机理和slj的降解机理。此外,基于现有文献,slj的优化设计侧重于评估重叠长度、胶粘剂层厚度以及胶粘剂沿重叠长度的变化。研究发现,扩散模型的适用性有待验证,模型的选择应考虑工作环境和胶粘剂类型。探索混合slj在有/无持续或交变载荷的湿热环境下的失效机理和设计准则对优化设计具有重要意义。本文指出了现有研究中slj抗剪强度和长期性能的局限性,并对其优化设计的挑战和前景提供了见解。
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引用次数: 1
Field‐programmable gate array acceleration of the Tersoff potential in LAMMPS LAMMPS中Tersoff电位的现场可编程门阵列加速
Pub Date : 2023-05-29 DOI: 10.1002/eng2.12694
Quan Deng, Qiang Liu
Abstract Molecular dynamics simulation is a common method to help humans understand the microscopic world. The traditional general‐purpose high‐performance computing platforms are hindered by low computational and power efficiency, constraining the practical application of large‐scale and long‐time many‐body molecular dynamics simulations. In order to address these problems, a novel molecular dynamics accelerator for the Tersoff potential is designed based on field‐programmable gate array (FPGA) platforms, which enables the acceleration of LAMMPS using FPGAs. Firstly, an on‐the‐fly method is proposed to build neighbor lists and reduce storage usage. Besides, multilevel parallelizations are implemented to enable the accelerator to be flexibly deployed on FPGAs of different scales and achieve good performance. Finally, mathematical models of the accelerator are built, and a method for using the models to determine the optimal‐performance parameters is proposed. Experimental results show that, when tested on the Xilinx Alveo U200, the proposed accelerator achieves a performance of 9.51 ns/day for the Tersoff simulation in a 55,296‐atom system, which is a 2.00 increase in performance when compared to Intel I7‐8700K and 1.70 to NVIDIA Tesla K40c under the same test case. In addition, in terms of computational efficiency and power efficiency, the proposed accelerator achieves improvements of 2.00 and 7.19 compared to Intel I7‐8700K, and 4.33 and 2.11 compared to NVIDIA Titan Xp, respectively.
分子动力学模拟是帮助人类了解微观世界的常用方法。传统的通用高性能计算平台受到低计算效率和低功耗的制约,限制了大规模、长时间多体分子动力学模拟的实际应用。为了解决这些问题,基于现场可编程门阵列(FPGA)平台设计了一种新型的Tersoff势分子动力学加速器,该加速器可以使用FPGA加速LAMMPS。首先,提出了一种实时构建邻居列表的方法,减少了存储空间的使用。此外,为了使加速器能够灵活地部署在不同规模的fpga上,并获得良好的性能,还实现了多电平并行化。最后,建立了加速器的数学模型,并提出了一种利用模型确定最佳性能参数的方法。实验结果表明,在Xilinx Alveo U200上进行测试时,所提出的加速器在55,296原子系统中实现了9.51 ns/day的Tersoff模拟性能,与Intel I7‐8700K相比,在相同的测试用例下,性能提高了2.00,与NVIDIA Tesla K40c相比提高了1.70。此外,在计算效率和功耗效率方面,该加速器与Intel I7‐8700K相比分别提高了2.00和7.19,与NVIDIA Titan Xp相比分别提高了4.33和2.11。
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引用次数: 0
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