论文标题
游牧者人工智能工具包：将材料科学数据转换为知识和理解
The NOMAD Artificial-Intelligence Toolkit: Turning materials-science data into knowledge and understanding
论文作者
论文摘要
我们介绍了基于Web浏览器的基础架构，用于基于互动AI的材料 - 科学分析，可发现，可访问，可互操作和可重复使用（公平）数据，这是一种基于Web浏览器的基础架构（AI）工具包（AI）工具包。 AI工具包很容易地在Nomad Archive的中央服务器中存储的公平数据，该数据库是全球最大的材料科学数据数据库，以及本地存储的用户拥有的数据。 Nomad Oasis是本地独立的服务器，也可用于运行AI工具包。通过使用在Web浏览器中运行的Jupyter笔记本电脑，可以查询和访问游牧数据。然后可以应用数据挖掘，机器学习和其他AI技术来分析它们。这种基础设施将材料科学中可重复性的概念提升到了一个新的水平，通过允许研究人员不仅可以共享促成其科学出版物的数据，还可以共享所有已开发的方法和分析工具。除了复制已发布的结果外，Nomad AI工具包的用户还可以将jupyter笔记本修改为自己的研究工作。
We present the Novel-Materials-Discovery (NOMAD) Artificial-Intelligence (AI) Toolkit, a web-browser-based infrastructure for the interactive AI-based analysis of materials-science findable, accessible, interoperable, and reusable (FAIR) data. The AI Toolkit readily operates on the FAIR data stored in the central server of the NOMAD Archive, the largest database of materials-science data worldwide, as well as locally stored, users' owned data. The NOMAD Oasis, a local, stand alone server can be also used to run the AI Toolkit. By using Jupyter notebooks that run in a web-browser, the NOMAD data can be queried and accessed; data mining, machine learning, and other AI techniques can be then applied to analyse them. This infrastructure brings the concept of reproducibility in materials science to the next level, by allowing researchers to share not only the data contributing to their scientific publications, but also all the developed methods and analytics tools. Besides reproducing published results, users of the NOMAD AI toolkit can modify the Jupyter notebooks towards their own research work.
