Catalogue Search | MBRL
Search Results Heading
Explore the vast range of titles available.
MBRLSearchResults
-
DisciplineDiscipline
-
Is Peer ReviewedIs Peer Reviewed
-
Reading LevelReading Level
-
Content TypeContent Type
-
YearFrom:-To:
-
More FiltersMore FiltersItem TypeIs Full-Text AvailableSubjectPublisherSourceDonorLanguagePlace of PublicationContributorsLocation
Done
Filters
Reset
23,500
result(s) for
"Software Tool"
Sort by:
Software defined networks : a comprehensive approach
Software Defined Networks discusses the historical networking environment that gave rise to SDN, as well as the latest advances in SDN technology.The book gives you the state of the art knowledge needed for successful deployment of an SDN, including:- How to explain to the non-technical business decision makers in your organization the potential.
Jenkins 2 : up and running : evolve your deployment pipeline for next-generation automation
Design, implement, and execute continuous delivery pipelines with a level of flexibility, control, and ease of maintenance that was not possible with Jenkins before. With this practical book, build administrators, developers, testers, and other professionals will learn how the features in Jenkins 2 let you define pipelines as code, leverage integration with other key technologies, and create automated, reliable pipelines to simplify and accelerate your DevOps environments.
Citation-based clustering of publications using CitNetExplorer and VOSviewer
2017
Clustering scientific publications in an important problem in bibliometric research. We demonstrate how two software tools, CitNetExplorer and VOSviewer, can be used to cluster publications and to analyze the resulting clustering solutions. CitNetExplorer is used to cluster a large set of publications in the field of astronomy and astrophysics. The publications are clustered based on direct citation relations. CitNetExplorer and VOSviewer are used together to analyze the resulting clustering solutions. Both tools use visualizations to support the analysis of the clustering solutions, with CitNetExplorer focusing on the analysis at the level of individual publications and VOSviewer focusing on the analysis at an aggregate level. The demonstration provided in this paper shows how a clustering of publications can be created and analyzed using freely available software tools. Using the approach presented in this paper, bibliometricians are able to carry out sophisticated cluster analyses without the need to have a deep knowledge of clustering techniques and without requiring advanced computer skills.
Journal Article
Bayesian reaction optimization as a tool for chemical synthesis
2021
Reaction optimization is fundamental to synthetic chemistry, from optimizing the yield of industrial processes to selecting conditions for the preparation of medicinal candidates
1
. Likewise, parameter optimization is omnipresent in artificial intelligence, from tuning virtual personal assistants to training social media and product recommendation systems
2
. Owing to the high cost associated with carrying out experiments, scientists in both areas set numerous (hyper)parameter values by evaluating only a small subset of the possible configurations. Bayesian optimization, an iterative response surface-based global optimization algorithm, has demonstrated exceptional performance in the tuning of machine learning models
3
. Bayesian optimization has also been recently applied in chemistry
4
–
9
; however, its application and assessment for reaction optimization in synthetic chemistry has not been investigated. Here we report the development of a framework for Bayesian reaction optimization and an open-source software tool that allows chemists to easily integrate state-of-the-art optimization algorithms into their everyday laboratory practices. We collect a large benchmark dataset for a palladium-catalysed direct arylation reaction, perform a systematic study of Bayesian optimization compared to human decision-making in reaction optimization, and apply Bayesian optimization to two real-world optimization efforts (Mitsunobu and deoxyfluorination reactions). Benchmarking is accomplished via an online game that links the decisions made by expert chemists and engineers to real experiments run in the laboratory. Our findings demonstrate that Bayesian optimization outperforms human decisionmaking in both average optimization efficiency (number of experiments) and consistency (variance of outcome against initially available data). Overall, our studies suggest that adopting Bayesian optimization methods into everyday laboratory practices could facilitate more efficient synthesis of functional chemicals by enabling better-informed, data-driven decisions about which experiments to run.
Bayesian optimization is applied in chemical synthesis towards the optimization of various organic reactions and is found to outperform scientists in both average optimization efficiency and consistency.
Journal Article
How to treat uncertainties in life cycle assessment studies?
by
Baustert, Paul
,
Othoniel Benoit
,
Elorri, Igos
in
Computer programs
,
Computer simulation
,
Context
2019
PurposeThe use of life cycle assessment (LCA) as a decision support tool can be hampered by the numerous uncertainties embedded in the calculation. The treatment of uncertainty is necessary to increase the reliability and credibility of LCA results. The objective is to provide an overview of the methods to identify, characterize, propagate (uncertainty analysis), understand the effects (sensitivity analysis), and communicate uncertainty in order to propose recommendations to a broad public of LCA practitioners.MethodsThis work was carried out via a literature review and an analysis of LCA tool functionalities. In order to facilitate the identification of uncertainty, its location within an LCA model was distinguished between quantity (any numerical data), model structure (relationships structure), and context (criteria chosen within the goal and scope of the study). The methods for uncertainty characterization, uncertainty analysis, and sensitivity analysis were classified according to the information provided, their implementation in LCA software, the time and effort required to apply them, and their reliability and validity. This review led to the definition of recommendations on three levels: basic (low efforts with LCA software), intermediate (significant efforts with LCA software), and advanced (significant efforts with non-LCA software).Results and discussionFor the basic recommendations, minimum and maximum values (quantity uncertainty) and alternative scenarios (model structure/context uncertainty) are defined for critical elements in order to estimate the range of results. Result sensitivity is analyzed via one-at-a-time variations (with realistic ranges of quantities) and scenario analyses. Uncertainty should be discussed at least qualitatively in a dedicated paragraph. For the intermediate level, the characterization can be refined with probability distributions and an expert review for scenario definition. Uncertainty analysis can then be performed with the Monte Carlo method for the different scenarios. Quantitative information should appear in inventory tables and result figures. Finally, advanced practitioners can screen uncertainty sources more exhaustively, include correlations, estimate model error with validation data, and perform Latin hypercube sampling and global sensitivity analysis.ConclusionsThrough this pedagogic review of the methods and practical recommendations, the authors aim to increase the knowledge of LCA practitioners related to uncertainty and facilitate the application of treatment techniques. To continue in this direction, further research questions should be investigated (e.g., on the implementation of fuzzy logic and model uncertainty characterization) and the developers of databases, LCIA methods, and software tools should invest efforts in better implementing and treating uncertainty in LCA.
Journal Article
FreeSASA: An open source C library for solvent accessible surface area calculations version 1; peer review: 2 approved
2016
Calculating solvent accessible surface areas (SASA) is a run-of-the-mill calculation in structural biology. Although there are many programs available for this calculation, there are no free-standing, open-source tools designed for easy tool-chain integration. FreeSASA is an open source C library for SASA calculations that provides both command-line and Python interfaces in addition to its C API. The library implements both Lee and Richards' and Shrake and Rupley's approximations, and is highly configurable to allow the user to control molecular parameters, accuracy and output granularity. It only depends on standard C libraries and should therefore be easy to compile and install on any platform. The library is well-documented, stable and efficient. The command-line interface can easily replace closed source legacy programs, with comparable or better accuracy and speed, and with some added functionality.
Journal Article
A review on methods and software for fuzzy cognitive maps
2019
Fuzzy cognitive maps (FCMs) keep growing in popularity within the scientific community. However, despite substantial advances in the theory and applications of FCMs, there is a lack of an up-to-date, comprehensive presentation of the state-of-the-art in this domain. In this review study we are filling that gap. First, we present basic FCM concepts and analyze their static and dynamic properties, and next we elaborate on existing algorithms used for learning the FCM structure. Second, we provide a goal-driven overview of numerous theoretical developments recently reported in this area. Moreover, we consider the application of FCMs to time series forecasting and classification. Finally, in order to support the readers in their own research, we provide an overview of the existing software tools enabling the implementation of both existing FCM schemes as well as prospective theoretical and/or practical contributions.
Journal Article
LArSoft: toolkit for simulation, reconstruction and analysis of liquid argon TPC neutrino detectors
2017
LArSoft is a set of detector-independent software tools for the simulation, reconstruction and analysis of data from liquid argon (LAr) neutrino experiments The common features of LAr time projection chambers (TPCs) enable sharing of algorithm code across detectors of very different size and configuration. LArSoft is currently used in production simulation and reconstruction by the ArgoNeuT, DUNE, LArlAT, MicroBooNE, and SBND experiments. The software suite offers a wide selection of algorithms and utilities, including those for associated photo-detectors and the handling of auxiliary detectors outside the TPCs. Available algorithms cover the full range of simulation and reconstruction, from raw waveforms to high-level reconstructed objects, event topologies and classification. The common code within LArSoft is contributed by adopting experiments, which also provide detector-specific geometry descriptions, and code for the treatment of electronic signals. LArSoft is also a collaboration of experiments, Fermilab and associated software projects which cooperate in setting requirements, priorities, and schedules. In this talk, we outline the general architecture of the software and the interaction with external libraries and detector-specific code. We also describe the dynamics of LArSoft software development between the contributing experiments, the projects supporting the software infrastructure LArSoft relies on, and the core LArSoft support project.
Journal Article
Improving educational quality through digital empowerment: a web platform for academic management in secondary education version 1; peer review: awaiting peer review
2026
Abstract*
Background
Grade management in Peruvian educational institutions faces significant challenges due to the widespread use of Excel spreadsheets, which often lead to delays, errors, and fragmented information during registration, consultation, and report card preparation processes. National studies indicate that implementing web-based systems can reduce procedural times by 50% to 80%, improving efficiency and collaboration among teachers and administrative staff. In this context, the present study aims to improve grade management at Colegio Nacional de Imperial through the development of a web-based application designed to enhance accuracy, speed, and reliability in academic management.
Methods
The system was developed using the Rational Unified Process (RUP), structured into four phases: inception, elaboration, construction, and transition. Requirements were analyzed, the system was designed and implemented using a relational database, and functionality was validated through testing. A quantitative pre-experimental design with pretest and posttest measurements was applied to evaluate performance improvements before full deployment.
Results
The implementation of the web system produced substantial improvements in key grade management processes. The Grade Registration Time (GRT) decreased by 70.14% (from 4,080 to 864 seconds). The Grade Search Time (GST) improved by 79.39%, increasing efficiency and precision in data retrieval. The Report Card Generation Time (RCGT) showed the most significant reduction, decreasing by 97.74% (from 434.5 to 9.83 seconds), considerably streamlining report generation and improving access to academic performance information.
Conclusions
The study demonstrates that a RUP-based web application significantly optimizes grade management in a rural secondary education context. The quantitative pre-experimental results confirm notable time reductions and improved information quality, highlighting the transformative potential of digital solutions in strengthening academic management processes in schools.
Journal Article