Integrating autonomy into automated research platforms

IF 6.2 Q1 CHEMISTRY, MULTIDISCIPLINARY Digital discovery Pub Date : 2023-09-22 DOI:10.1039/D3DD00135K
Richard B. Canty, Brent A. Koscher, Matthew A. McDonald and Klavs F. Jensen
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Abstract

Integrating automation and autonomy into self-driving laboratories promises more efficient and reproducible experimentation while freeing scientists to focus on intellectual challenges. In the rapid advances being made towards self-driving laboratories, automation and autonomy techniques are often convoluted due to similarities between them and ambiguous language, leaving the trade-offs between them overlooked. In this perspective, we address differences between making a process occur without human intervention (automation) and providing agency and flexibility in action (autonomy). We describe the challenges of autonomy in terms of (1) orchestration, how tasks are organized and coordinated; (2) facilitation, how devices are connected and brought under automated control; and (3) scripting languages, how workflows are encoded into digital representations. Autonomous systems require advanced control architectures to handle a reactive, evolving workflow, involving control abstractions and scheduling beyond what current automation approaches provide. The specification of an autonomous system requires goal-oriented commands and context awareness, whereas automation needs exact, unambiguous instructions for reproducibility and efficiency. We contend that this contrast in design creates a need for improved standards in automation and a set of guiding principles to facilitate the development of autonomy-enabling technologies.

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将自主性集成到自动化研究平台中
将自动化和自主性集成到自动驾驶实验室中,可以提高实验效率和可重复性,同时使科学家能够专注于智力挑战。在自动驾驶实验室的快速发展中,由于自动化和自主技术之间的相似性和模糊的语言,它们之间的权衡往往被忽视了。从这个角度来看,我们解决了在没有人为干预(自动化)的情况下使流程发生与在行动中提供代理和灵活性(自治)之间的区别。我们从以下几个方面描述了自治的挑战:(1)编排,任务是如何组织和协调的;(2)便利,设备如何连接并置于自动化控制之下;(3)脚本语言,如何将工作流编码为数字表示。自治系统需要先进的控制体系结构来处理反应性的、不断发展的工作流,涉及控制抽象和调度,超出了当前自动化方法所提供的。自治系统的规范需要面向目标的命令和上下文感知,而自动化需要精确、明确的指令来实现可再现性和效率。我们认为,这种设计上的差异需要改进自动化标准和一套指导原则,以促进自主技术的发展。
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