Ernesto Martı́nez

Nghia Duong-Trung, Stefan Born, Jong Woo Kim et al.

Machine learning (ML) is becoming increasingly crucial in many fields of engineering but has not yet played out its full potential in bioprocess engineering. While experimentation has been accelerated by increasing levels of lab automation, experimental planning and data modeling are still largerly depend on human intervention. ML can be seen as a set of tools that contribute to the automation of the whole experimental cycle, including model building and practical planning, thus allowing human experts to focus on the more demanding and overarching cognitive tasks. First, probabilistic programming is used for the autonomous building of predictive models. Second, machine learning automatically assesses alternative decisions by planning experiments to test hypotheses and conducting investigations to gather informative data that focus on model selection based on the uncertainty of model predictions. This review provides a comprehensive overview of ML-based automation in bioprocess development. On the one hand, the biotech and bioengineering community should be aware of the potential and, most importantly, the limitation of existing ML solutions for their application in biotechnology and biopharma. On the other hand, it is essential to identify the missing links to enable the easy implementation of ML and Artificial Intelligence (AI) tools in valuable solutions for the bio-community.

Juan Cruz Barsce, Jorge A. Palombarini, Ernesto Martínez

Optimization of hyper-parameters in reinforcement learning (RL) algorithms is a key task, because they determine how the agent will learn its policy by interacting with its environment, and thus what data is gathered. In this work, an approach that uses Bayesian optimization to perform a two-step optimization is proposed: first, categorical RL structure hyper-parameters are taken as binary variables and optimized with an acquisition function tailored for such variables. Then, at a lower level of abstraction, solution-level hyper-parameters are optimized by resorting to the expected improvement acquisition function, while using the best categorical hyper-parameters found in the optimization at the upper-level of abstraction. This two-tier approach is validated in a simulated control task. Results obtained are promising and open the way for more user-independent applications of reinforcement learning.