Reduced-Space Multi-Fidelity Bayesian Optimization of Process Simulation Models
Abstract
Optimizing industrial process flowsheets is often computationally prohibitive due to the high cost of rigorous simulations and the curse of dimensionality inherent in complex design spaces. To address these challenges, we present a reduced-space multi-fidelity Bayesian optimization (RS-MFBO) framework designed for high-dimensional, expensive black-box functions. The approach integrates Global Sensitivity Analysis (GSA) for dimensionality reduction with a fidelity-augmented Gaussian process that captures correlations between low-cost approximations and expensive high-fidelity evaluations. A cost-aware acquisition strategy, augmented with cooldown and promotion mechanisms, adaptively guides the allocation of samples across fidelities. The framework is validated on two distinct industrial process simulators: a plasmid DNA bioprocess in SuperPro Designer and a green fuel synthesis plant in Aspen HYSYS. Results across diverse economic and physical objectives demonstrate that the proposed method substantially reduces the number of high-fidelity simulator evaluations while maintaining competitive optimization performance compared to single-fidelity baselines. These results highlight RS-MFBO as a scalable, simulator-agnostic approach for cost-constrained black-box optimization.
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BibTeX
@misc{triantafyllou2026reducedspace,
title = {{Reduced-Space Multi-Fidelity Bayesian Optimization of Process Simulation Models}},
author = {Niki Triantafyllou and Andrea Bernardi and Maria M. Papathanasiou},
howpublished = {arXiv},
year = {2026},
month = sep,
doi = {10.48550/arxiv.2609.17440},
eprint = {2609.17440},
archivePrefix = {arXiv},
url = {https://arxiv.org/abs/2609.17440},
}
RIS
TY - UNPB
TI - Reduced-Space Multi-Fidelity Bayesian Optimization of Process Simulation Models
AU - Niki Triantafyllou
AU - Andrea Bernardi
AU - Maria M. Papathanasiou
PY - 2026
DA - 2026/09/15
PB - arXiv
DO - 10.48550/arxiv.2609.17440
UR - https://arxiv.org/abs/2609.17440
AB - Optimizing industrial process flowsheets is often computationally prohibitive due to the high cost of rigorous simulations and the curse of dimensionality inherent in complex design spaces. To address these challenges, we present a reduced-space multi-fidelity Bayesian optimization (RS-MFBO) framework designed for high-dimensional, expensive black-box functions. The approach integrates Global Sensitivity Analysis (GSA) for dimensionality reduction with a fidelity-augmented Gaussian process that captures correlations between low-cost approximations and expensive high-fidelity evaluations. A cost-aware acquisition strategy, augmented with cooldown and promotion mechanisms, adaptively guides the allocation of samples across fidelities. The framework is validated on two distinct industrial process simulators: a plasmid DNA bioprocess in SuperPro Designer and a green fuel synthesis plant in Aspen HYSYS. Results across diverse economic and physical objectives demonstrate that the proposed method substantially reduces the number of high-fidelity simulator evaluations while maintaining competitive optimization performance compared to single-fidelity baselines. These results highlight RS-MFBO as a scalable, simulator-agnostic approach for cost-constrained black-box optimization.
ER -