ChemOS: An orchestration software to democratize autonomous discovery
ChemOS: An orchestration software to democratize autonomous discovery
复制标题
DOI：
10.1371/journal.pone.0229862
复制
发表时间：
2020-04
期刊：
影响因子：
3.7
通讯作者：
L. Roch;F. Häse;C. Kreisbeck;Teresa Tamayo-Mendoza;L. Yunker;J. Hein;Alán Aspuru-Guzik
中科院分区：
文献类型：
--
作者：
L. Roch;F. Häse;C. Kreisbeck;Teresa Tamayo-Mendoza;L. Yunker;J. Hein;Alán Aspuru-Guzik
目前爱迪生式的发现方法需要长达20年的基础和应用研究才能将材料技术推向市场。如此缓慢和资本密集型的转变需要颠覆性的战略来加速创新。自动驾驶实验室有可能通过人工智能赋予自动化以实现自主发现，从而提供革命性实验的手段。然而，缺乏足够的软件解决方案严重阻碍了自动驾驶实验室的发展。在本文中，我们在应对这一挑战方面取得了进展，我们提出并开发了ChemOS的实施方案;这是一个便携式，模块化和通用的软件包，为自动驾驶实验室的部署和运行提供了必要的结构层。ChemOS促进了自动化设备的集成，并实现了自动化实验室的远程控制。ChemOS可以在不同程度上自主运行;从完全无人监督的实验到积极将研究人员的输入和反馈纳入实验循环。ChemOS的灵活性提供了广泛的功能，在五个应用程序中得到了证明，这些应用程序在不同的自动化设备上执行，突出了软件包的各个方面。
The current Edisonian approach to discovery requires up to two decades of fundamental and applied research for materials technologies to reach the market. Such a slow and capital-intensive turnaround calls for disruptive strategies to expedite innovation. Self-driving laboratories have the potential to provide the means to revolutionize experimentation by empowering automation with artificial intelligence to enable autonomous discovery. However, the lack of adequate software solutions significantly impedes the development of self-driving laboratories. In this paper, we make progress towards addressing this challenge, and we propose and develop an implementation of ChemOS; a portable, modular and versatile software package which supplies the structured layers necessary for the deployment and operation of self-driving laboratories. ChemOS facilitates the integration of automated equipment, and it enables remote control of automated laboratories. ChemOS can operate at various degrees of autonomy; from fully unsupervised experimentation to actively including inputs and feedbacks from researchers into the experimentation loop. The flexibility of ChemOS provides a broad range of functionality as demonstrated on five applications, which were executed on different automated equipment, highlighting various aspects of the software package.