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Particle-Droplet-PBS: Population balance software for simulation of particle-induced droplet breakup in spray flame synthesis and suspension spray combustion 粒子-液滴-PBS:用于模拟喷雾火焰合成和悬浮喷雾燃烧中颗粒诱发的液滴破裂的种群平衡软件
IF 2.1 Q3 COMPUTER SCIENCE, SOFTWARE ENGINEERING Pub Date : 2024-05-01 DOI: 10.1016/j.simpa.2024.100642
Ivan Skenderović, Frank Einar Kruis

The software ‘Particle Droplet Population Balance Simulation’ (Particle-Droplet-PBS) simulates the time of particle-shell formation and particle growth in burning spray droplets. Application examples are provided to demonstrate how the code can be used to incorporate a variety of particles, precursor chemicals and solvents. The software solves the population balance equations for particle coagulation and nucleation, while applying an adaptive grid method requiring only two cells per droplet. Thus, the computation time is drastically reduced. This enables users without access to high-performance work stations to run droplet simulations in a timely manner, making it a valuable tool for research and process engineering.

颗粒液滴种群平衡模拟"(Particle-Droplet-PBS)软件模拟燃烧喷雾液滴中颗粒壳形成和颗粒生长的时间。软件提供了应用示例,演示如何使用该代码将各种颗粒、前体化学品和溶剂结合在一起。该软件可求解颗粒凝结和成核的种群平衡方程,同时采用自适应网格方法,每个液滴只需两个单元格。因此,计算时间大大缩短。这样,没有高性能工作站的用户也能及时运行液滴模拟,使其成为研究和工艺工程的重要工具。
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引用次数: 0
Mathematica code for the topological analysis of Thom’s Catastrophes in 2 × 2 economic games 2 × 2 经济博弈中托马斯灾难拓扑分析的数学代码
IF 2.1 Q3 COMPUTER SCIENCE, SOFTWARE ENGINEERING Pub Date : 2024-05-01 DOI: 10.1016/j.simpa.2024.100652
Michael S. Harré , Adam Harris , Scott McCallum

René Thom’s work on topological instabilities applied new methods to questions of dynamical stability that traditionally belonged to the domain of dynamical systems theorists. Topological instability focuses on universal properties of bifurcations in systems where multiple equilibria form and disappear as a function of system parameters. However, the complete mathematical description is quite abstract and the analysis benefits from graphical intuitions. Here we provide the code, in the form of a Mathematica notebook, used in our recent Games and Economic Behaviour paper (Harriset al., 2023). It illustrates our main results providing the intuition necessary to explore the bifurcations in the formal proofs.

勒内-托姆(René Thom)的拓扑不稳定性研究将新方法应用于传统上属于动力系统理论家领域的动力稳定性问题。拓扑不稳定性侧重于系统中分岔的普遍特性,即多个平衡点随着系统参数的变化而形成和消失。然而,完整的数学描述是相当抽象的,而分析则得益于图形直观。在此,我们以 Mathematica 笔记本的形式提供我们最近的论文《游戏与经济行为》(Harriset al.)它说明了我们的主要结果,为探索正式证明中的分岔提供了必要的直观性。
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引用次数: 0
A prototype for sentence classification using statistical methods 使用统计方法进行句子分类的原型
IF 2.1 Q3 COMPUTER SCIENCE, SOFTWARE ENGINEERING Pub Date : 2024-05-01 DOI: 10.1016/j.simpa.2024.100651
Nishy Reshmi S. , Shreelekshmi R.

Classification of sentences is a challenging problem in the field of natural language processing. We present a prototype for classifying the pairs of sentences using their syntactic and semantic relations. The sentences are classified into three classes — entailment, contradiction and neutral. The grammatical relations of the sentences are extracted and these relations are represented as word embeddings using global vector, Glove. The word to word semantics is found using Wordnet semantic relations. The prototype is based on statistical measures which was implemented using Python 3.6.9 version.

句子分类是自然语言处理领域的一个难题。我们提出了一种利用句法和语义关系对句子进行分类的原型。句子被分为三类--蕴涵句、矛盾句和中性句。我们提取了句子的语法关系,并使用全局向量 Glove 将这些关系表示为词嵌入。单词与单词之间的语义则是通过 Wordnet 语义关系发现的。原型基于统计量,使用 Python 3.6.9 版本实现。
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引用次数: 0
Python code for modeling ARIMA-LSTM architecture with random forest algorithm 用随机森林算法模拟 ARIMA-LSTM 架构的 Python 代码
IF 2.1 Q3 COMPUTER SCIENCE, SOFTWARE ENGINEERING Pub Date : 2024-05-01 DOI: 10.1016/j.simpa.2024.100650
Achal Lama , Soumik Ray , Tufleuddin Biswas , Lakshmi Narasimhaiah , Yashpal Singh Raghav , Promil Kapoor , K.N. Singh , Pradeep Mishra , Bishal Gurung

Over conventional statistical models, machine learning mechanisms are establishing themselves as a potential area for modeling and forecasting complex time series. Because it can integrate several forecasting methodologies’ capabilities, hybrid time series models are fundamental in data science. Here, we present a Python script that builds a combined architecture of the ARIMA-LSTM model with random forest technique to generate a high-accuracy prediction. This script is a step-by-step process to create a statistical and then machine learning model through statistical assumption.

与传统的统计模型相比,机器学习机制正在成为复杂时间序列建模和预测的潜在领域。由于混合时间序列模型可以整合多种预测方法的能力,因此是数据科学的基础。在此,我们介绍一个 Python 脚本,它将 ARIMA-LSTM 模型与随机森林技术相结合,从而生成高精度的预测结果。该脚本是一个通过统计假设逐步创建统计模型和机器学习模型的过程。
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引用次数: 0
CUDA code to generate computational models and predict mechanical properties for metallic surface nanocoatings 生成计算模型并预测金属表面纳米涂层机械性能的 CUDA 代码
IF 2.1 Q3 COMPUTER SCIENCE, SOFTWARE ENGINEERING Pub Date : 2024-05-01 DOI: 10.1016/j.simpa.2024.100645
M. Bedolla-Hernández , F.J. Sánchez-Ruiz , G. Rosano-Ortega , J. Bedolla-Hernández , P.S. Schabes-Retchkiman , C.A. Vega-Lebrún , E. Vargas-Viveros

The article presents an open-access code, written in CUDA® and C++ programming language, applicable for generating computational models of nanostructured surface coatings deposited by electrodeposition. The code uses the Schrödinger equation, energy potentials, and electrochemistry as a theoretical basis to determine the deposition and electrodeposition energies, allowing the prediction of the formation and growth of these coatings. Likewise, the parameter variation enabled within the code provides for determining the main electrodeposition parameters (voltage, current, concentration, and residence time) for experimental depositions. The code can be easily implemented for any metallic coating-substrate arrangement where the filler material is nanomaterials.

文章介绍了一种用 CUDA® 和 C++ 编程语言编写的开放存取代码,适用于生成通过电沉积沉积的纳米结构表面涂层的计算模型。该代码以薛定谔方程、能势和电化学为理论基础,确定沉积和电沉积能量,从而预测这些涂层的形成和生长。同样,代码中启用的参数变化功能可确定实验沉积的主要电沉积参数(电压、电流、浓度和停留时间)。该代码可轻松应用于填充材料为纳米材料的任何金属涂层-基底排列。
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引用次数: 0
A two-tiered framework for anomaly classification in IoT networks utilizing CNN-BiLSTM model 利用 CNN-BiLSTM 模型进行物联网网络异常分类的双层框架
IF 2.1 Q3 COMPUTER SCIENCE, SOFTWARE ENGINEERING Pub Date : 2024-05-01 DOI: 10.1016/j.simpa.2024.100646
Yue Guan, Morteza Noferesti, Naser Ezzati-Jivan

The paper introduces ACS-IoT, an Anomaly Classification System for IoT networks, structured as a two-tiered framework. In the first, it employs a decision tree classifier for anomaly detection. In the second, a CNN-BiLSTM model is utilized for more profound analysis and classification of anomaly types. To address data imbalance, SMOTE is used, and feature selection is enhanced with PSO. The approach showcases strong practical applicability in real-world industrial settings, achieving an accuracy of 88%, precision of 89%, recall of 88%, and F1-score of 88% for multi-class classification, surpassing other machine learning approaches by at least 6% in all metrics.

本文介绍了 ACS-IoT,这是一个用于物联网网络的异常分类系统,采用两层框架结构。首先,它采用决策树分类器进行异常检测。其次,利用 CNN-BiLSTM 模型对异常类型进行更深入的分析和分类。为解决数据不平衡问题,使用了 SMOTE,并通过 PSO 加强了特征选择。该方法在现实世界的工业环境中具有很强的实用性,多类分类的准确率达到 88%,精确率达到 89%,召回率达到 88%,F1 分数达到 88%,在所有指标上都比其他机器学习方法高出至少 6%。
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引用次数: 0
SPARC v2.0.0: Spin-orbit coupling, dispersion interactions, and advanced exchange–correlation functionals SPARC v2.0.0:自旋轨道耦合、弥散相互作用和高级交换相关函数
IF 2.1 Q3 COMPUTER SCIENCE, SOFTWARE ENGINEERING Pub Date : 2024-05-01 DOI: 10.1016/j.simpa.2024.100649
Boqin Zhang , Xin Jing , Qimen Xu , Shashikant Kumar , Abhiraj Sharma , Lucas Erlandson , Sushree Jagriti Sahoo , Edmond Chow , Andrew J. Medford , John E. Pask , Phanish Suryanarayana

SPARC is an accurate, efficient, and scalable real-space electronic structure code for performing ab initio Kohn–Sham density functional theory calculations. Version 2.0.0 of the software provides increased efficiency, and includes spin–orbit coupling, dispersion interactions, and advanced semilocal as well as hybrid exchange–correlation functionals, where it outperforms state-of-the-art planewave codes by an order of magnitude and more, with increasing advantages as the number of processors is increased. These new features further expand the range of physical applications amenable to first principles investigation.

SPARC 是一种精确、高效、可扩展的实空间电子结构代码,用于进行非初始 Kohn-Sham 密度泛函理论计算。该软件的 2.0.0 版提高了效率,并包括自旋轨道耦合、色散相互作用和先进的半局部以及混合交换相关函数,其性能比最先进的平面波代码高出一个数量级甚至更多,而且随着处理器数量的增加,优势也越来越大。这些新功能进一步扩大了第一性原理研究的物理应用范围。
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引用次数: 0
MI-NiDIA: A scalable framework for modeling flocculation kinetics and floc evolution in water treatment MI-NiDIA:水处理中絮凝动力学和絮凝体演变建模的可扩展框架
IF 2.1 Q3 COMPUTER SCIENCE, SOFTWARE ENGINEERING Pub Date : 2024-05-01 DOI: 10.1016/j.simpa.2024.100662
Abayomi O. Bankole , Rodrigo Moruzzi , Rogério G. Negri , Cassio M. Oishi , Afolashade R. Bankole , Abraham O. James

This paper presents a scalable framework for modeling floc evolution and flocculation kinetics in water treatment. Unlike the existing methods that subjects Non-intrusive Dynamic Image Analysis (NiDIA) data to complex mathematical concepts, the proposed software devised a scaling concept for NiDIA data and designed an effective algorithm with the capability to predict varying floc lengths and the underlying kinetics under a broad flocculation conditions (Gf and Tf). Technically, the designed machine-intelligence framework (MI-NiDIA) involves data preprocessing, automatic parameter selection, validation and prediction of floc length evolution with metrics. For instance, MI-NiDIA-MLP recorded R2 of 0.95–1.0 for varying floc length at Gf60s1.

本文提出了一个可扩展的框架,用于模拟水处理过程中的絮凝物演变和絮凝动力学。与现有的将非侵入式动态图像分析(NiDIA)数据应用于复杂数学概念的方法不同,本文提出的软件为 NiDIA 数据设计了一个缩放概念,并设计了一种有效的算法,能够预测不同絮凝体长度以及在广泛絮凝条件(Gf 和 Tf)下的基本动力学。从技术上讲,所设计的机器智能框架(MI-NiDIA)包括数据预处理、自动参数选择、验证以及用指标预测絮凝体长度的演变。例如,在 Gf60s-1 条件下,MI-NiDIA-MLP 对不同絮体长度的 R2 值为 0.95-1.0。
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引用次数: 0
Raster Forge: Interactive raster manipulation library and GUI for Python Raster Forge:适用于 Python 的交互式光栅操作库和图形用户界面
IF 2.1 Q3 COMPUTER SCIENCE, SOFTWARE ENGINEERING Pub Date : 2024-05-01 DOI: 10.1016/j.simpa.2024.100657
Afonso Oliveira , Nuno Fachada , João P. Matos-Carvalho

Raster Forge is a Python library and graphical user interface for raster data manipulation and analysis. The tool is focused on remote sensing applications, particularly in wildfire management. It allows users to import, visualize, and process raster layers for tasks such as image compositing or topographical analysis. For wildfire management, it generates fuel maps using predefined models. Its impact extends from disaster management to hydrological modeling, agriculture, and environmental monitoring. Raster Forge can be a valuable asset for geoscientists and researchers who rely on raster data analysis, enhancing geospatial data processing and visualization across various disciplines.

Raster Forge 是一个用于光栅数据处理和分析的 Python 库和图形用户界面。该工具专注于遥感应用,尤其是野火管理。它允许用户导入、可视化和处理光栅图层,以完成图像合成或地形分析等任务。在野火管理方面,它可使用预定义模型生成燃料地图。它的影响范围从灾害管理扩展到水文建模、农业和环境监测。对于依赖光栅数据分析的地球科学家和研究人员来说,Raster Forge 是一笔宝贵的财富,它能增强各学科的地理空间数据处理和可视化。
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引用次数: 0
MR-LEAP: Mixed-Reality Learning Environment for Aspirational Programmers MR-LEAP:面向有抱负的程序员的混合现实学习环境
IF 2.1 Q3 COMPUTER SCIENCE, SOFTWARE ENGINEERING Pub Date : 2024-04-24 DOI: 10.1016/j.simpa.2024.100648
Santiago Schez-Sobrino, Francisco M. García, Javier A. Albusac, Carlos Glez-Morcillo, Jose J. Castro-Schez, David Vallejo

This paper presents MR-LEAP (Mixed-Reality Learning Environment for Aspirational Programmers), a framework developed for learning programming through Mixed Reality and gamification mechanics. MR-LEAP’s architecture is designed to facilitate the understanding of basic programming concepts while allowing the gradual incorporation of more complex concepts. The framework provides a simple visual level editor. MR-LEAP is supported by the Mixed Reality Toolkit framework to promote portability to new Mixed Reality devices. Our goal is to facilitate programming education using Mixed Reality technology. MR-LEAP has already been used in both research and educational.

本文介绍了 MR-LEAP(面向有抱负的程序员的混合现实学习环境),这是一个通过混合现实和游戏化机制学习编程的框架。MR-LEAP 的架构旨在促进对基本编程概念的理解,同时允许逐步融入更复杂的概念。该框架提供了一个简单的可视化关卡编辑器。MR-LEAP 由混合现实工具包框架支持,可移植到新的混合现实设备。我们的目标是利用混合现实技术促进编程教育。MR-LEAP 已被用于研究和教育领域。
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引用次数: 0
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Software Impacts
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