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cationCalc4EPMA: A MATLAB-based open-source tool for reproducible cation calculations from EPMA datasets cationCalc4EPMA:一个基于matlab的开源工具,用于从EPMA数据集中重现阳离子计算
IF 2.4 4区 计算机科学 Q2 COMPUTER SCIENCE, SOFTWARE ENGINEERING Pub Date : 2026-06-01 Epub Date: 2026-02-13 DOI: 10.1016/j.softx.2026.102555
Kazuki Matsuyama , Yumiko Harigane , Yoshihiro Nakamura
Electron probe microanalysis (EPMA) provides precise chemical compositions of minerals, but transforming oxide weight percentages into cation-based formulas remains a critical and often irreproducible step in petrological workflows. We present cationCalc4EPMA, an open-source MATLAB tool that converts EPMA datasets into cation-normalized structural formulas with automatic mineral identification. The software supports major rock-forming minerals, implements established stoichiometric and charge-balance schemes for Fe³⁺ estimation, and computes commonly used petrological indices such as Mg#. By replacing spreadsheet-based or proprietary workflows, cationCalc4EPMA enhances transparency, reproducibility, and efficiency in geochemical and petrological studies using EPMA data.
电子探针微量分析(EPMA)可以提供矿物的精确化学成分,但在岩石学工作流程中,将氧化物重量百分比转化为基于阳离子的公式仍然是一个关键且不可重复的步骤。我们提出了cationCalc4EPMA,一个开源的MATLAB工具,可以将EPMA数据集转换为具有自动矿物识别功能的阳离子归一化结构式。该软件支持主要的造岩矿物,实现了既定的Fe³⁺估算的化学计量学和电荷平衡方案,并计算了常用的岩石学指标,如mg#。通过取代基于电子表格或专有的工作流程,阳离子钙4epma提高了使用EPMA数据进行地球化学和岩石学研究的透明度、可重复性和效率。
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引用次数: 0
cIPMA: An R package for combined importance-performance map analysis cIPMA:一个用于组合重要性-性能图分析的R软件包
IF 2.4 4区 计算机科学 Q2 COMPUTER SCIENCE, SOFTWARE ENGINEERING Pub Date : 2026-06-01 Epub Date: 2026-02-07 DOI: 10.1016/j.softx.2026.102552
Marek Deja
Combined importance–performance map analysis (cIPMA) extends partial least squares structural equation modeling (PLS-SEM) by integrating importance as sufficiency estimates with bottleneck diagnostics necessity thresholds from Necessary Condition Analysis (NCA). While conceptually powerful, the current workflow for cIPMA is fragmented, typically requiring commercial software, manual data rescaling, and external spreadsheet transformation and visualization, which increase the risk of human error and reduce reproducibility. This article introduces cIPMA, an open-source R package that automates the complete cIPMA workflow on top of seminr for PLS-SEM and NCA for necessary condition analysis. The package implements the rescaling and weighting procedures required for importance–performance maps, calls NCA’s CE-FDH ceiling technique to obtain necessity effect sizes and bottleneck tables, and provides publication-ready visualization. Using the cIPMA package, researchers can perform a full cIPMA analysis in a single reproducible script and reduce the likelihood of specification and transcription errors. The package provides a transparent, open-source implementation that enables researchers to explore the interplay between probabilistic sufficiency and necessity logics in behavioral research while adhering to the established methodological requirements of cIPMA.
组合重要性-性能图分析(cIPMA)通过将重要性作为充分性估计与必要条件分析(NCA)的瓶颈诊断必要性阈值相结合,扩展了偏最小二乘结构方程模型(PLS-SEM)。虽然在概念上很强大,但目前cIPMA的工作流程是碎片化的,通常需要商业软件、手动数据重新缩放、外部电子表格转换和可视化,这增加了人为错误的风险,降低了再现性。本文介绍了cIPMA,这是一个开源的R软件包,它可以在用于pl - sem和NCA的semr之上自动化完整的cIPMA工作流程,以进行必要的条件分析。该软件包实现了重要性-性能图所需的重新缩放和加权程序,调用了NCA的CE-FDH天花板技术来获得必要的效应大小和瓶颈表,并提供了可发布的可视化。使用cIPMA软件包,研究人员可以在一个可重复的脚本中执行完整的cIPMA分析,并减少规范和转录错误的可能性。该软件包提供了一个透明的、开源的实现,使研究人员能够在遵守cIPMA既定的方法要求的同时,探索行为研究中概率充足性和必要性逻辑之间的相互作用。
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引用次数: 0
SynMicrodata: An R package for generating synthetic microdata via a nonparametric Bayesian approach SynMicrodata:一个通过非参数贝叶斯方法生成合成微数据的R包
IF 2.4 4区 计算机科学 Q2 COMPUTER SCIENCE, SOFTWARE ENGINEERING Pub Date : 2026-06-01 Epub Date: 2026-02-12 DOI: 10.1016/j.softx.2026.102541
Juhee Lee , Hang J. Kim , Jared S. Murray , Young Min Kim
The synMicrodata package provides a flexible and fully joint modeling approach for generating synthetic microdata containing both continuous and categorical variables. Built on a nonparametric Bayesian model with Dirichlet process priors, the package captures complex multivariate dependencies in original datasets, even in the presence of missing values. It generates multiple synthetic datasets through a modular workflow for data preprocessing, model fitting, and data synthesis. Simulation studies demonstrate that synMicrodata preserves key marginal statistics and achieves nominal coverage rates. The package produces competitive results when compared to existing synthetic data generation methods, under both complete and missing data scenarios. Consequently, synMicrodata is a valuable tool for ensuring privacy in data dissemination while enabling valid statistical inference on confidential data through simulation.
synMicrodata包为生成包含连续变量和分类变量的合成微数据提供了灵活且完全联合的建模方法。该包建立在具有Dirichlet过程先验的非参数贝叶斯模型上,即使在存在缺失值的情况下,也可以捕获原始数据集中复杂的多元依赖关系。它通过数据预处理、模型拟合和数据合成的模块化工作流生成多个合成数据集。仿真研究表明,synMicrodata保留了关键的边际统计数据,并实现了名义覆盖率。与现有的合成数据生成方法相比,无论是在完整数据还是缺少数据的情况下,该软件包都能产生具有竞争力的结果。因此,synMicrodata是一种有价值的工具,可以确保数据传播中的隐私,同时通过模拟对机密数据进行有效的统计推断。
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引用次数: 0
prismatools: An open-source Python package for accessing and analyzing PRISMA hyperspectral data prismattools:用于访问和分析PRISMA高光谱数据的开源Python包
IF 2.4 4区 计算机科学 Q2 COMPUTER SCIENCE, SOFTWARE ENGINEERING Pub Date : 2026-06-01 Epub Date: 2026-02-11 DOI: 10.1016/j.softx.2026.102547
Lorenzo Crecco, Sofia Bajocco
Hyperspectral remote sensing captures hundreds of contiguous, narrow spectral bands in the VNIR and SWIR ranges, enabling detailed analysis of vegetation, water quality, soil properties, and other environmental variables. prismatools is an open-source Python package that facilitates processing, visualization, and analysis of PRISMA Level 2 products. It converts VNIR, SWIR and panchromatic PRISMA data into georeferenced xarray datasets, supporting seamless integration into workflows with other popular Python packages. The package also provides interactive mapping and spectral exploration leveraging the capabilities of the popular package Leafmap, along with methods for computing vegetation indices, performing PCA, extracting spectral signatures and exporting processed images.
高光谱遥感在近红外和SWIR范围内捕获数百个连续的窄光谱带,可以对植被、水质、土壤性质和其他环境变量进行详细分析。prismattools是一个开源的Python包,用于简化对PRISMA Level 2产品的处理、可视化和分析。它将VNIR, SWIR和全色PRISMA数据转换为地理参考的xarray数据集,支持与其他流行的Python包无缝集成到工作流中。该软件包还利用流行的软件包Leafmap的功能,提供交互式制图和光谱勘探,以及计算植被指数、执行PCA、提取光谱特征和导出处理后图像的方法。
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引用次数: 0
DGFS-BE Solver: An open-source Discontinuous Galerkin Fast Spectral Solver for the full Boltzmann equation DGFS-BE求解器:一个开源的不连续伽辽金快速光谱求解器,用于全玻尔兹曼方程
IF 2.4 4区 计算机科学 Q2 COMPUTER SCIENCE, SOFTWARE ENGINEERING Pub Date : 2026-06-01 Epub Date: 2026-02-13 DOI: 10.1016/j.softx.2026.102544
Evgeniia Vorozhbit , Brian Morton , Nirajan Adhikari , Alina A. Alexeenko , Jingwei Hu
This paper introduces the DGFS-BE solver, an open-source Discontinuous Galerkin Fast Spectral solver designed to address the complexities of the Boltzmann equation, a fundamental equation in kinetic theory. The solver combines the Discontinuous Galerkin method for spatial discretization with fast spectral methods for velocity discretization, offering high-order accuracy across various domains. Unlike traditional stochastic methods, DGFS adopts a deterministic approach, avoiding assumptions about the collision kernel and overcoming the limitations of the Direct Simulation Monte Carlo method in rarefied gas flow simulations. The solver’s integration with GPU CUDA technology ensures efficient computation, making it suitable for applications ranging from aerospace engineering to microscale flows. Several test cases, including Couette flow, Fourier conduction, normal shock waves, and pressure-driven microchannel flow, demonstrate the solver’s accuracy and performance. The solver is available at: https://github.com/DGFSproj/.
本文介绍了DGFS-BE求解器,这是一个开源的不连续伽辽金快速光谱求解器,旨在解决动力学理论中基本方程玻尔兹曼方程的复杂性。该求解器结合了空间离散的不连续伽辽金方法和速度离散的快速谱方法,在不同的域上提供了高阶精度。与传统的随机方法不同,DGFS采用确定性方法,避免了对碰撞核的假设,克服了直接模拟蒙特卡罗方法在稀薄气体流动模拟中的局限性。该求解器与GPU CUDA技术的集成确保了高效的计算,使其适用于从航空航天工程到微尺度流的应用。包括Couette流、傅里叶传导、正常激波和压力驱动的微通道流在内的几个测试案例都证明了求解器的准确性和性能。求解器可在:https://github.com/DGFSproj/。
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引用次数: 0
SurVigilance: An application for accessing global pharmacovigilance data SurVigilance:访问全球药物警戒数据的应用程序
IF 2.4 4区 计算机科学 Q2 COMPUTER SCIENCE, SOFTWARE ENGINEERING Pub Date : 2026-06-01 Epub Date: 2026-02-06 DOI: 10.1016/j.softx.2026.102546
Raktim Mukhopadhyay , Marianthi Markatou
Even though several publicly accessible pharmacovigilance databases are available, extracting data from them is a technically challenging process. Existing tools typically focus on a single database. We present SurVigilance, an open-source tool that streamlines the process of retrieving safety data from seven major pharmacovigilance databases. SurVigilance provides a graphical user interface as well as functions for programmatic access, thus enabling integration into existing research workflows. SurVigilance utilizes a modular architecture to provide access to the heterogeneous sources. By reducing the technical barriers to accessing safety data, SurVigilance aims to facilitate pharmacovigilance research.
尽管有几个可公开访问的药物警戒数据库,但从中提取数据在技术上是一个具有挑战性的过程。现有的工具通常专注于单个数据库。我们介绍了SurVigilance,一个开源工具,简化了从七个主要药物警戒数据库检索安全数据的过程。SurVigilance提供图形用户界面以及编程访问功能,从而能够集成到现有的研究工作流程中。SurVigilance利用模块化架构提供对异构源的访问。通过减少获取安全数据的技术障碍,SurVigilance旨在促进药物警戒研究。
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引用次数: 0
MRAC-LLM Toolbox: An interactive model reference adaptive control enhanced with large language models MRAC-LLM工具箱:一个交互式模型参考自适应控制,增强了大型语言模型
IF 2.4 4区 计算机科学 Q2 COMPUTER SCIENCE, SOFTWARE ENGINEERING Pub Date : 2026-06-01 Epub Date: 2026-02-12 DOI: 10.1016/j.softx.2026.102556
Merve Nilay Aydın , Halil Ibrahim Okur , Handan Gürsoy-Demir , Kadir Tohma , Celaleddin Yeroğlu
This paper presents the MRAC-LLM Toolbox, a MATLAB-based software that integrates classical Model Reference Adaptive Control (MRAC) with Large Language Model (LLM) assistance for interactive control system design. The software enables users to specify performance requirements through a graphical user interface, which are translated into reference model configurations with LLM guidance. MRAC-LLM focuses exclusively on classical MRAC and supports simulation and real-time parameter adaptation within a master–slave framework. The LLM operates strictly at an advisory level, assisting with reference model selection and adaptation guidance without modifying the underlying MRAC control laws or their stability guarantees. The software features a modular architecture supporting simulation, visualization, and reporting, and is released as open-source under the MIT License at https://github.com/halilokur91/MRAC_LLM.
本文介绍了MRAC-LLM工具箱,这是一个基于matlab的软件,将经典模型参考自适应控制(MRAC)与大语言模型(LLM)辅助集成在一起,用于交互式控制系统设计。该软件使用户能够通过图形用户界面指定性能需求,并通过LLM指导将其转换为参考模型配置。MRAC- llm专注于经典的MRAC,并在主从框架内支持仿真和实时参数适应。LLM严格地在咨询层面运作,协助参考模型选择和适应指导,而不修改潜在的MRAC控制律或其稳定性保证。该软件的特点是支持模拟、可视化和报告的模块化架构,并在MIT许可下作为开源发布在https://github.com/halilokur91/MRAC_LLM。
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引用次数: 0
GreenAccounter: A toolkit for carbon-aware orchestration of deep learning workloads in geo-distributed clouds GreenAccounter:用于在地理分布式云中对深度学习工作负载进行碳感知编排的工具包
IF 2.4 4区 计算机科学 Q2 COMPUTER SCIENCE, SOFTWARE ENGINEERING Pub Date : 2026-06-01 Epub Date: 2026-02-10 DOI: 10.1016/j.softx.2026.102550
Jeonghyeon Park, Jaekyeong Kim, Wonseok Son, Sejin Chun
Deep learning workloads generate substantial carbon emissions in data centers, largely because training is both time-consuming and energy-intensive. To address this challenge, previous studies have explored either temporal workload shifting or spatial workload migration. Still, these approaches remain limited for long-running workloads, such as Large Language Models (LLMs), because they fail to adapt to continuous fluctuations in regional carbon intensity. In this paper, we introduce GreenAccounter, a toolkit for carbon-aware orchestration of deep learning workloads across multi-cloud environments. It integrates real-time carbon intensity monitoring with checkpoint-based migration, allowing training to continue seamlessly while reducing emissions. A unified dashboard visualizes regional carbon intensity, cumulative emissions, and power consumption, providing operators with a single pane of glass for managing distributed cloud resources. GreenAccounter serves as both (i) a reproducible research platform for carbon-aware scheduling and (ii) a practical operational toolkit for emissions reduction in AI training. As an open-source release, it promotes sustainable, transparent, and data-driven practices for large-scale deep learning.
深度学习工作负载在数据中心产生了大量的碳排放,主要是因为培训既耗时又耗能。为了应对这一挑战,以前的研究已经探索了时间工作负载转移或空间工作负载迁移。尽管如此,这些方法对于长时间运行的工作负载(如大型语言模型)仍然有限,因为它们无法适应区域碳强度的持续波动。在本文中,我们介绍了GreenAccounter,这是一个用于跨多云环境的深度学习工作负载的碳感知编排的工具包。它将实时碳强度监测与基于检查点的迁移相结合,使培训能够无缝地继续进行,同时减少排放。一个统一的仪表板可视化区域碳强度、累积排放和功耗,为运营商提供一个单一的窗格来管理分布式云资源。GreenAccounter既是(i)碳意识调度的可重复研究平台,也是(ii)人工智能培训中减排的实用操作工具包。作为一个开源版本,它促进了大规模深度学习的可持续、透明和数据驱动的实践。
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引用次数: 0
DUUIgateway: A web service for platform-independent, ubiquitous big data NLP duu网关:一个独立于平台、无处不在的大数据NLP的web服务
IF 2.4 4区 计算机科学 Q2 COMPUTER SCIENCE, SOFTWARE ENGINEERING Pub Date : 2026-06-01 Epub Date: 2026-02-11 DOI: 10.1016/j.softx.2026.102549
Cedric Borkowski, Giuseppe Abrami, Dawit Terefe, Daniel Baumartz, Alexander Mehler
Distributed processing of unstructured text data is a challenge in the rapidly changing and evolving natural language processing (NLP) landscape. This landscape is characterized by heterogeneous systems, models, and formats, and especially by the increasing influence of AI systems. While many of these systems handle text data, there are also unified systems that process multiple input and output formats, while allowing for distributed corpus processing. However, there are hardly any user-friendly interfaces that allow existing NLP frameworks to be used flexibly and extended in a user-controlled manner. Due to this gap and the increasing importance of NLP for various scientific disciplines, there has been a demand for a web and API based flexible software solution for deploying, managing and monitoring NLP systems. Such a solution is provided by Docker Unified UIMA Interface-gateway. We introduce DUUIgateway and evaluate its API and user-driven approach to encapsulation. We also describe how these features improve the usability and accessibility of the NLP framework DUUI. We illustrate DUUIgateway in the field of process modeling in higher education and show how it closes the latter gap in NLP by making a variety of systems for processing text and multimodal data accessible to non-experts.
在快速变化和发展的自然语言处理(NLP)领域,非结构化文本数据的分布式处理是一个挑战。这一格局的特点是异构系统、模型和格式,特别是人工智能系统的影响越来越大。虽然这些系统中有许多处理文本数据,但也有处理多种输入和输出格式的统一系统,同时允许分布式语料库处理。然而,几乎没有任何用户友好的界面允许以用户控制的方式灵活地使用和扩展现有的NLP框架。由于这一差距以及NLP对各种科学学科的重要性日益增加,人们需要基于web和API的灵活软件解决方案来部署、管理和监控NLP系统。Docker Unified UIMA Interface-gateway提供了这样的解决方案。我们介绍了duu网关,并评估了它的API和用户驱动的封装方法。我们还描述了这些特性如何提高NLP框架DUUI的可用性和可访问性。我们举例说明了duu网关在高等教育过程建模领域的应用,并展示了它如何通过使非专家可以访问各种用于处理文本和多模态数据的系统来缩小NLP中后者的差距。
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引用次数: 0
DIZEST: A low-code platform for workflow-driven artificial intelligence and data analysis DIZEST:用于工作流驱动的人工智能和数据分析的低代码平台
IF 2.4 4区 计算机科学 Q2 COMPUTER SCIENCE, SOFTWARE ENGINEERING Pub Date : 2026-02-01 Epub Date: 2026-01-24 DOI: 10.1016/j.softx.2026.102519
Changbeom Shim , Jangwon Gim , Yeeun Kim , Yeonghun Chae
While artificial intelligence (AI) and data science offer unprecedented potential, technology entry barriers often hinder widespread adoption and limit the rapid development of tailored applications. Existing low-code development platforms (LCDPs) partially address these challenges, but frequently lack the capabilities needed for complex AI and data analysis workflows. To this end, this paper presents DIZEST, a novel LCDP designed to accelerate AI application development and enhance data analysis for code-free workflow construction, while simultaneously providing professional developers with advanced customization functionalities. In particular, a reusable node-based architecture enables efficient development so that resultant applications are scalable, high-performing, and portable across diverse deployments.
虽然人工智能(AI)和数据科学提供了前所未有的潜力,但技术进入壁垒往往阻碍了广泛采用,并限制了定制应用程序的快速发展。现有的低代码开发平台(lcdp)部分解决了这些挑战,但往往缺乏复杂的人工智能和数据分析工作流程所需的能力。为此,本文提出了DIZEST,一种新型的LCDP,旨在加速人工智能应用程序的开发,增强无代码工作流构建的数据分析,同时为专业开发人员提供高级定制功能。特别是,可重用的基于节点的体系结构支持高效的开发,从而使最终的应用程序在不同的部署中具有可伸缩性、高性能和可移植性。
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引用次数: 0
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