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20242026
most citedDeterministic Global Optimization of the Acquisition Function in Bayesian Optimization: To Do or Not To Do?

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cs.LG2026

Iterative Model-Learning Scheme via Gaussian Processes for Nonlinear Model Predictive Control of (Semi-)Batch Processes

Tai Xuan Tan, Alexander Mitsos, Eike Cramer

Batch processes are inherently transient and typically nonlinear, motivating nonlinear model predictive control (NMPC). However, adopting NMPC is hindered by the cost and unavailab…

cs.LG2026

Data-Driven Conditional Flexibility Index

Moritz Wedemeyer, Eike Cramer, Alexander Mitsos +1

With the increasing flexibilization of processes, determining robust scheduling decisions has become an important goal. Traditionally, the flexibility index has been used to identi…

cs.LG2025

End-to-End Reinforcement Learning of Koopman Models for eNMPC of an Air Separation Unit

Daniel Mayfrank, Kayra Dernek, Laura Lang +2

With our recently proposed method based on reinforcement learning (Mayfrank et al. (2024), Comput. Chem. Eng. 190), Koopman surrogate models can be trained for optimal performance…

cs.LG2025

Sample-Efficient Reinforcement Learning of Koopman eNMPC

Daniel Mayfrank, Mehmet Velioglu, Alexander Mitsos +1

Reinforcement learning (RL) can be used to tune data-driven (economic) nonlinear model predictive controllers ((e)NMPCs) for optimal performance in a specific control task by optim…

cs.LG2025

Task-optimal data-driven surrogate models for eNMPC via differentiable simulation and optimization

Daniel Mayfrank, Na Young Ahn, Alexander Mitsos +1

Mechanistic dynamic process models may be too computationally expensive to be usable as part of a real-time capable predictive controller. We present a method for end-to-end learni…

cs.LG2024

Physics-Informed Neural Networks for Dynamic Process Operations with Limited Physical Knowledge and Data

Mehmet Velioglu, Song Zhai, Sophia Rupprecht +3

In chemical engineering, process data are expensive to acquire, and complex phenomena are difficult to fully model. We explore the use of physics-informed neural networks (PINNs) f…