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Discrete and mixed-variable experimental design with surrogate-based approach
Experimental design plays an important role in efficiently acquiring informative data for system characterization and deriving robust …
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Human-Algorithm Collaborative Bayesian Optimization for Engineering Systems
Bayesian optimization has been successfully applied throughout Chemical Engineering for the optimization of functions that are …
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ARRTOC: Adversarially Robust Real-Time Optimization and Control
Real-Time Optimization (RTO) plays a crucial role in the process operation hierarchy by determining optimal set-points for the …
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Investigating the Reliability and Interpretability of Machine Learning Frameworks for Chemical Retrosynthesis
Machine learning models for chemical retrosynthesis have attracted substantial interest in recent years. Unaddressed challenges, …
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Hierarchical planning-scheduling-control -- Optimality surrogates and derivative-free optimization
Planning, scheduling, and control typically constitute separate decision-making units within chemical companies. Traditionally, their …
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Machine Learning-Assisted Discovery of Novel Reactor Designs
Additive manufacturing has enabled the fabrication of advanced reactor geometries, permitting larger, more complex design spaces. …
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An Analysis of Multi-Agent Reinforcement Learning for Decentralized Inventory Control Systems
Most solutions to the inventory management problem assume a centralization of information that is incompatible with organisational …
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The Automated Discovery of Kinetic Rate Models -- Methodological Frameworks
The industrialization of catalytic processes is of far more importance today than it has ever been before and kinetic models are …
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Neural ODEs as Feedback Policies for Nonlinear Optimal Control
Neural ordinary differential equations (Neural ODEs) define continuous time dynamical systems with neural networks. The interest in …
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Deep Gaussian Process-based Multi-fidelity Bayesian Optimization for Simulated Chemical Reactors
New manufacturing techniques such as 3D printing have recently enabled the creation of previously infeasible chemical reactor designs. …
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