Online redesign of dynamic experiments for high-throughput bioprocess development using deep reinforcement learning

IF 4.9 2区 工程技术 Q2 COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS
Computers & Chemical Engineering Pub Date : 2026-03-01 Epub Date: 2025-11-27 DOI:10.1016/j.compchemeng.2025.109500
Martin F. Luna , Federico M. Mione , Ernesto C. Martinez , M. Nicolas Cruz Bournazou
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引用次数: 0

Abstract

For efficiency and reproducibility, modern biotech laboratories increasingly rely on robotic platforms to perform complex, dynamic experiments to generate informative data for bioprocess development and knowledge discovery. Furthering the goal of self-driving biolabs imposes the need of automating cognitive demanding tasks such as redesigning online an experiment to maximize information gain in the face of different sources of uncertainty including microorganism behavior, hardware failure, and noisy measurements. In this work, a reinforcement learning (RL) based formulation of the online experimental redesign problem for dynamic experiments is proposed. Simulation-based learning of a redesign policy for parallel cultivations in a high-throughput platform is discussed to provide implementation details regarding the RL agent design (perceptions and actions) and the reward function used. The simulated environment and a training workflow for sequential information control are integrated with the Proximal Policy Optimization (PPO) algorithm to learn how to modify ’on the fly’ an offline design based solely on previous observations and actions in a given experiment. Results obtained demonstrate the feasibility of using deep RL to guarantee the quality of the generated data and increase the level of automation that can be used on high-throughput platforms.
利用深度强化学习在线重新设计高通量生物工艺开发的动态实验
为了提高效率和重现性,现代生物技术实验室越来越依赖机器人平台来执行复杂的动态实验,为生物工艺开发和知识发现生成信息数据。为了进一步实现自动驾驶生物实验室的目标,需要自动化认知要求任务,例如在面对不同的不确定性来源(包括微生物行为、硬件故障和噪声测量)时,重新设计在线实验以最大化信息增益。在这项工作中,提出了一种基于强化学习(RL)的动态实验在线再设计问题的表述。本文讨论了在高吞吐量平台中并行培养的重新设计策略的基于模拟的学习,以提供有关RL代理设计(感知和行动)和所使用的奖励函数的实现细节。模拟环境和序列信息控制的训练工作流程与近端策略优化(PPO)算法相结合,以学习如何仅基于给定实验中的先前观察和行为修改“飞行”离线设计。结果表明,使用深度强化学习可以保证生成数据的质量,提高自动化水平,可用于高通量平台。
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来源期刊
Computers & Chemical Engineering
Computers & Chemical Engineering 工程技术-工程:化工
CiteScore
8.70
自引率
14.00%
发文量
374
审稿时长
70 days
期刊介绍: Computers & Chemical Engineering is primarily a journal of record for new developments in the application of computing and systems technology to chemical engineering problems.
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