Daniel Mayfrank

Daniel Mayfrank, Alexander Mitsos, Manuel Dahmen

(Economic) nonlinear model predictive control ((e)NMPC) requires dynamic models that are sufficiently accurate and computationally tractable. Data-driven surrogate models for mechanistic models can reduce the computational burden of (e)NMPC; however, such models are typically trained by system identification for maximum prediction accuracy on simulation samples and perform suboptimally in (e)NMPC. We present a method for end-to-end reinforcement learning of Koopman surrogate models for optimal performance as part of (e)NMPC. We apply our method to two applications derived from an established nonlinear continuous stirred-tank reactor model. The controller performance is compared to that of (e)NMPCs utilizing models trained using system identification, and model-free neural network controllers trained using reinforcement learning. We show that the end-to-end trained models outperform those trained using system identification in (e)NMPC, and that, in contrast to the neural network controllers, the (e)NMPC controllers can react to changes in the control setting without retraining.

Daniel Mayfrank, Kayra Dernek, Laura Lang et al.

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 in specific (economic) nonlinear model predictive control ((e)NMPC) applications. So far, our method has exclusively been demonstrated on a small-scale case study. Herein, we show that our method scales well to a more challenging demand response case study built on a large-scale model of a single-product (nitrogen) air separation unit. Across all numerical experiments, we assume observability of only a few realistically measurable plant variables. Compared to a purely system identification-based Koopman eNMPC, which generates small economic savings but frequently violates constraints, our method delivers similar economic performance while avoiding constraint violations.

Bernd Frauenknecht, Lukas Kesper, Daniel Mayfrank et al.

Predictive safety filters (PSFs) leverage model predictive control to enforce constraint satisfaction during deep reinforcement learning (RL) exploration, yet their reliance on first-principles models or Gaussian processes limits scalability and broader applicability. Meanwhile, model-based RL (MBRL) methods routinely employ probabilistic ensemble (PE) neural networks to capture complex, high-dimensional dynamics from data with minimal prior knowledge. However, existing attempts to integrate PEs into PSFs lack rigorous uncertainty quantification. We introduce the Uncertainty-Aware Predictive Safety Filter (UPSi), a PSF that provides rigorous safety predictions using PE dynamics models by formulating future outcomes as reachable sets. UPSi introduces an explicit certainty constraint that prevents model exploitation and integrates seamlessly into common MBRL frameworks. We evaluate UPSi within Dyna-style MBRL on standard safe RL benchmarks and report substantial improvements in exploration safety over prior neural network PSFs while maintaining performance on par with standard MBRL. UPSi bridges the gap between the scalability and generality of modern MBRL and the safety guarantees of predictive safety filters.

Daniel Mayfrank, Na Young Ahn, Alexander Mitsos et al.

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 learning of Koopman surrogate models for optimal performance in a specific control task. In contrast to previous contributions that employ standard reinforcement learning (RL) algorithms, we use a training algorithm that exploits the differentiability of environments based on mechanistic simulation models to aid the policy optimization. We evaluate the performance of our method by comparing it to that of other training algorithms on an existing economic nonlinear model predictive control (eNMPC) case study of a continuous stirred-tank reactor (CSTR) model. Compared to the benchmark methods, our method produces similar economic performance while eliminating constraint violations. Thus, for this case study, our method outperforms the others and offers a promising path toward more performant controllers that employ dynamic surrogate models.

Daniel Mayfrank, Mehmet Velioglu, Alexander Mitsos et al.

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 optimizing the dynamic model or parameters in the policy's objective function or constraints, such as state bounds. However, the sample efficiency of RL is crucial, and to improve it, we combine a model-based RL algorithm with our published method that turns Koopman (e)NMPCs into automatically differentiable policies. We apply our approach to an eNMPC case study of a continuous stirred-tank reactor (CSTR) model from the literature. The approach outperforms benchmark methods, i.e., data-driven eNMPCs using models based on system identification without further RL tuning of the resulting policy, and neural network controllers trained with model-based RL, by achieving superior control performance and higher sample efficiency. Furthermore, utilizing partial prior knowledge about the system dynamics via physics-informed learning further increases sample efficiency.