A Gentle Introduction to Machine Learning for Chemists: An Undergraduate Workshop Using Python Notebooks for Visualization, Data Processing, Analysis, and Modeling
A Gentle Introduction to Machine Learning for Chemists: An Undergraduate Workshop Using Python Notebooks for Visualization, Data Processing, Analysis, and Modeling
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化学家机器学习简介：使用 Python 笔记本进行可视化、数据处理、分析和建模的本科生研讨会
DOI：
10.1021/acs.jchemed.1c00142
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发表时间：
2021
影响因子：
3
通讯作者：
D. Onna
中科院分区：
文献类型：
--
作者：
Deborah Lafuente;Brenda Cohen;Guillermo Fiorini;A. García;M. Bringas;E. Morzan;D. Onna
机器学习是人工智能的一个子领域，是一项广泛使用的技术，正在塑造化学家与数据的交互方式。因此，融入到任何化学学生的工具箱中都是一项相关的技能。这项工作提供了一个研讨会，介绍了基于一套Python笔记本和作业的化学学生的机器学习。作为最流行的编程语言之一，Python是开放源码的，可以免费使用，并且有大量的学习资源。该工作坊是为没有编程经验的学生设计的，旨在更深入地了解编程和机器学习中概念的复杂性。所用的例子对应于葡萄酒的物理化学特征的真实数据，这是学生感兴趣的内容。研讨会的内容包括：Python简介、基础统计、数据可视化、降维、分类和回归。
Machine learning, a subdomain of artificial intelligence, is a widespread technology that is molding how chemists interact with data. Therefore, it is a relevant skill to incorporate into the toolbox of any chemistry student. This work presents a workshop that introduces machine learning for chemistry students based on a set of Python notebooks and assignments. Python, one of the most popular programming languages, is open source, free to use, and has plenty of learning resources. The workshop is designed for students without previous experience in programming, and it aims for a deeper understanding of the complexity of concepts in programming and machine learning. The examples used correspond to real data from physicochemical characterizations of wine, a content that is of interest for students. The contents of the workshop are introduction to Python, basic statistics, data visualization, and dimension reduction, classification, and regression.
开发计算机资源以自动分析学生——伦敦分散力量的解释
影响因子：
3
作者：
Noyes, Keenan;McKay, Robert L.;Neumann, Matthew;Haudek, Kevin C.;Cooper, Melanie M.
通讯作者：
Cooper, Melanie M.