检索结果-内蒙古大学图书馆

PyFREC: Software for Forster electronic coupling evaluation in molecular fragments

JOURNAL OF COMPUTATIONAL CHEMISTRY 2016年第19期37卷 1847-1854页

作者： Kosenkov, Dmytro Dmytro Kosenkov Monmouth Univ Dept Chem & Phys 400 Cedar Ave West Long Branch NJ 07764 USA

Electronic couplings are crucial for understanding exciton dynamics and associated energy transfer in artificial and natural chromophores. The proposed PyFREC (python FRagment Electronic Coupling) software enables evaluation of electronic couplings based on the Forster model. PyFREC features the decomposition of electronic couplings, obtained through quantum chemical calculations, into the orientation and dipole strength components. Furthermore, the variation method to evaluate energies of coupled electronic excited states and delocalization of electronic excitations is implemented in the software. PyFREC has been tested on the S22 benchmark dataset of non-covalent complexes and water clusters. (c) 2016 Wiley Periodicals, Inc.

关键词： Forster resonance energy transfer fragmentation methods exciton coupling python programming language

来源：评论

学校读者我要写书评

暂无评论

Evolutionary-based multi-objective optimal power flow considering real-time uncertainties in wind farms and load demand

引用

ELECTRICAL ENGINEERING 2024年第3期106卷 3283-3303页

作者： Preethi, V. A. Shunmugalatha, A. Babulal, C. K. Anna Univ SNS Coll Engn Dept Elect & Elect Engn Kurumbapalayam Post Coimbatore Tamil Nadu India Anna Univ Velammal Coll Engn & Technol Elect & Elect Engn Dept Madurai Tamil Nadu India Anna Univ Thiagarajar Coll Engn Elect & Elect Engn Dept Madurai Tamil Nadu India

This study presents a multi-objective solving indicator-based evolutionary algorithm (IBEA) to solve the optimal power flow (OPF) problem with multiple and competing objectives. The objective functions for the multi-objective OPF (MOOPF) are active power loss, aggregate voltage deviation, total generation cost, and emission pollution. This algorithm combines the shift-based density estimation method with a weighted sum approach to produce a set of non-dominated solutions on each objective space. Moreover, an S-shaped fuzzy membership approach is used to extract the best compromise solution from the obtained non-dominated solutions. To validate the IBEA's performance, standard IEEE 30-bus and IEEE 57-bus test systems with nine different cases are being used. This paper also presents a stochastic optimal power flow problem for two-objective optimization with load demand and wind power uncertainty.

关键词： Multi-objective optimal power flow Cost Emission Evolutionary algorithm Fuzzy decision-making Renewable energy python programming language

来源：评论

学校读者我要写书评

暂无评论

The NumPy Array: A Structure for Efficient Numerical Computation

引用

COMPUTING IN SCIENCE & ENGINEERING 2011年第2期13卷 22-30页

作者： van der Walt, Stefan Colbert, S. Chris Varoquaux, Gael Univ Stellenbosch ZA-7600 Stellenbosch South Africa Enthought Inc Austin TX USA INRIA Le Chesnay France

In the python world, NumPy arrays are the standard representation for numerical data and enable efficient implementation of numerical computations in a high-level language. As this effort shows, NumPy performance can be improved through three techniques: vectorizing calculations, avoiding copying data in memory, and minimizing operation counts.

关键词： Arrays Computational efficiency Finite element methods NumPy Numerical analysis Performance evaluation python python programming language Resource management Vector quantization data structures high level language high level languages mathematics computing numerical analysis numerical computation numerical computations numerical data numpy array programming libraries scientific programming

来源：评论

学校读者我要写书评

暂无评论

python based internet tools in control education

引用

IFAC-PapersOnLine 2015年第29期48卷 43-48页

作者： Vergnaud, Alban Fasquel, Jean-Baptiste Autrique, Laurent LARIS University of Angers 62 avenue Notre Dame du Lac Angers49000 France

The general language and opensource python, coupled with its scientific libraries, offers an interesting alternative to Matlab, Java, and C++ for the development of scientific applications. In this context, authors present the main features of the language, associated tools, architecture and the diversity of its scientific environment. Three applications related to control education are presented: programming from a web browser (for system identification and PID tuning) and embedded computing (for motors control). © 2015, IFAC (International Federation of Automatic Control) Hosting by Elsevier Ltd. All rights reserved.

关键词： C++ (programming language) Computer systems programming MATLAB Associated tool Control education Embedded computing Internet tools Open source PID tuning python programming language Scientific applications

来源：评论

学校读者我要写书评

暂无评论

Methods for Transition Toward Computer Assisted Cognitive Examination

引用

METHODS OF INFORMATION IN MEDICINE 2015年第3期54卷 256-261页

作者： Jurica, P. Valenzi, S. Struzik, Z. R. Cichocki, A. RIKEN Brain Sci Inst Wako Saitama 3510198 Japan Polish Acad Sci Syst Res Inst PL-01447 Warsaw Poland

Introduction: We present a software frame: work which enables the extension of current methods for the assessment of cognitive fitness using recent technological advances. Background: Screening for cognitive impairment is becoming more important as the world's population grows older. Current methods could be enhanced by use of computers. Introduction of new methods to clinics requires basic tools for collection and communication of collected data. Objectives: To develop tools that, with minimal interference, offer new opportunities for the enhancement of the current interview based cognitive examinations. Methods: We suggest methods and discuss process by which established cognitive tests can be adapted for data collection through digitization by pen enabled tablets. We discuss a number of methods for evaluation of collected data, which promise to increase the resolution and objectivity of the common, scoring strategy based on visual inspection. By involving computers in the roles of both instructing and scoring, we aim to increase, the precision and reproducibility of cognitive examination. Results: The tools provided in python framework CogExTools available at http://***/cogextools/ enable the design, application and evaluation of screening tests for assessment of cognitive impairment. The toolbox is a research platform;it represents a foundation for further collaborative development by the wider research community and enthusiasts. It is free to download and use, and open-source. Conclusion: We introduce a set of open-source tools that facilitate the design and development of new cognitive tests for modern technology. We provide these tools in order to enable the adaptation of technology for cognitive examination in clinical settings. The tools provide the first step in a possible transition toward standardized mental state examination using computers.

关键词： Cognitive test cognitive impairment health information exchange health information database open-source software framework python programming language computer-aided diagnosis

来源：评论

学校读者我要写书评

暂无评论

Skipping steps to biopharma 4.0

引用

Pharmaceutical Technology 2020年第8期44卷 37-38页

作者： Shanley, Agnes

The article offers information on the increase in the automation trends in the pharmaceutical industry in the U.S. It mentions that companies evaluating BioPharma 4.0 tools and leveraging built-in automation to speed ... 详细信息

关键词： python programming language Life sciences Scheduling software

来源：评论

学校读者我要写书评

暂无评论

Introducing programming Skills for Life Science Students

引用

BIOCHEMISTRY AND MOLECULAR BIOLOGY EDUCATION 2019年第3期47卷 288-295页

作者： Mariano, Diego Martins, Pedro Santos, Lucianna Helene de Melo-Minardi, Raquel Cardoso Univ Fed Minas Gerais Dept Comp Sci LBS Belo Horizonte MG Brazil

The advent of the high-throughput next-generation sequencing produced a large number of biological data. Knowledge discovery from the huge amount of available biological data requires researchers to develop solid skills in biology and computer science. As the majority of the Bioinformatics professionals are either computer science or life sciences graduates, to teach biology skills to computer science students and computational skills to life science students has become usual. In this article, we reported the experience of teaching programming for life science students. Our strategy is composed by explaining basic concepts of algorithms, abstraction of biological problems, and script programming using python language. Based on the student's answers to an assessment questionnaire, we conclude that the course achieved positive results. They reported an improvement in their skills in programming and bioinformatics. Furthermore, the students approved the didactic adopted in the classes and evaluation methods (programming exercises and final presentation). This article is useful for other professors who want to implement an initial bioinformatics training for undergraduate or graduate students in life sciences. We believe that the strategies here demonstrated could be reproduced, which could help in the formation of a new generation of bioinformaticians with hybrid abilities in computation and biology. (c) 2019 International Union of Biochemistry and Molecular Biology, 47(3):288-295, 2019.

关键词： Bioinformatics education life science students python programming language

来源：评论

学校读者我要写书评

暂无评论

Development of Intelligent System for Visual Passenger Flows Simulation of Public Transport in Smart City Based on Neural Network 5

Development of Intelligent System for Visual Passenger Flows...

引用

5th International Conference on Computational Linguistics and Intelligent Systems (COLINS)

作者： Matseliukh, Yurii Bublyk, Myroslava Vysotska, Victoria Lviv Polytech Natl Univ S Bandera St 12 UA-79013 Lvov Ukraine

Existing intelligent systems in passenger transportation are investigated, where the critical task is to evaluate passenger flows. Possibilities, accessibility, principles and principles of optimising intelligent passenger transportation systems of public transport in Smart City are analysed. It is established that the visualization of passenger flows is one of the critical tasks of optimizing routes and improving the quality of passenger transportation by public transport in Smart City. An intelligent system of visual simulation of passenger traffic is proposed, which, based on the neural network operation, allows optimising passenger transportation by public transport in Smart City.

关键词： Passenger traffic software product public transport visual simulation neural network passenger flow Smart City urban passenger transport python programming language information system intelligent system passenger service passenger transport service data processing

来源：评论

学校读者我要写书评

暂无评论

python based internet tools in control education

Python based internet tools in control education

引用

3rd IFAC Workshop on Internet Based Control Education (IBCE 2015)

作者： Vergnaud, Alban Fasquel, Jean-Baptiste Autrique, Laurent Univ Angers LARIS 62 Ave Notre Dame Lac F-49000 Angers France

The general language and opensource python, coupled with its scientific libraries, offers an interesting alternative to Matlab, Java, and C++ for the development of scientific applications. In this context, authors present the main features of the language, associated tools, architecture and the diversity of its scientific environment. Three applications related to control education are presented: programming from a web browser (for system identification and PID tuning) and embedded computing (for motors control). (C) 2015, IFAC (International Federation of Automatic Control) Hosting by Elsevier Ltd. All rights reserved.

关键词： Control education python programming language

来源：评论

学校读者我要写书评

暂无评论

Increasing System Performance in Machine Learning by using Multiprocessing 26

Increasing System Performance in Machine Learning by using M...

引用

26th IEEE Signal Processing and Communications Applications Conference (SIU)

作者： Ozan, Sukru AdresGezgini AS Ar Ge Merkezi Folkart Towers BKule Ofis 3609 Bayrakli Izmir Turkey

ISBN: (纸本)9781538615010

Machine Learning regained its popularity after the recent advances occurred in deep learning area and python programming language is increasingly being used in machine learning. It is important to choose proper initial values for variables called hyper parameters used in machine learning. Selecting proper initial values for these variables directly effects the systems performance at the training, testing and validation steps of learning model. In some situations optimal initial values for hyper parameters are found by trial method. This means that so many trials may need to be performed and these trials consumes much lower time once the computers multiprocessing feature is used. In this work, it is shown how some operations which may be needed in machine learning methods are performed on more than one processor by using simple scripts written in python programming language. Moreover the time gain obtained with these scripts is calculated.

关键词： python programming language machine learning multicore processor multiprocessing

来源：评论

学校读者我要写书评

暂无评论

建议与咨询留下您的常用邮箱和电话号码，以便我们向您反馈解决方案和替代方法

时间限定

文献类型

馆藏选择

核心期刊

语言

文献类型

帮助

文字说明：

检索规则说明：

检索范例：

分类表

所选分类

限定检索结果

文献类型

馆藏范围

日期分布

学科分类号

主题

机构

作者

语言

请选择保存的检索档案：

请选择收藏分类：

通借通还

建议与咨询 留下您的常用邮箱和电话号码，以便我们向您反馈解决方案和替代方法

时间限定

文献类型

馆藏选择

核心期刊

语言

文献类型

帮助

文字说明：

检索规则说明：

检索范例：

分类表

所选分类

限定检索结果

文献类型

馆藏范围

日期分布

学科分类号

主题

机构

作者

语言

请选择保存的检索档案： 新增检索档案 确定 取消

请选择收藏分类： 新增自定义分类 确定 取消

通借通还

建议与咨询留下您的常用邮箱和电话号码，以便我们向您反馈解决方案和替代方法

请选择保存的检索档案：

请选择收藏分类：