Proceedings of ESCAPE 36ISSN: 2818-4734
Volume: 5 (2026)
Table of Contents
LAPSE:2026.0449
Published Article
LAPSE:2026.0449
Machine Learning and Adaptive Sampling Powered Feasible Path Algorithm for Black-box Optimization
Zixuan Zhang, Xiaowei Song, Jiaming Li, Yujiao Zeng, Yaling Nie, Min Zhu, Dongyun Lu, Yibo Zhang, Xin Xiao, Jie Li
June 12, 2026
Abstract
Black-box optimization (BBO) deals with problems involving functions that are either unknown, imprecise, or costly to evaluate. Current BBO methods encounter multiple challenges, such as high computational demands from excessive function evaluations, difficulties in handling complex constraints, lack of theoretical convergence guarantees, and unstable performance due to significant variations in solution quality. This work presents a machine learning-powered feasible path (MLFP) framework for general BBO problems involving complex constraints. An adaptive sampling strategy is first proposed to explore optimal regions and pre-filter potentially infeasible points, thereby reducing the number of evaluations. Machine learning algorithms are utilized to build surrogates for black-box functions. The feasible path algorithm is integrated to accelerate theoretical convergence by updating only independent variables instead of all variables. Computational experiments demonstrate that MLFP can rapidly and robustly converge near the KKT point, even when training surrogates with small datasets. Compared to state-of-the-art BBO algorithms, MLFP stably delivers equivalent or superior solutions with fewer evaluations across benchmark examples.
Keywords
Adaptive Sampling, Black-box, Feasible Path Algorithm, Machine Learning, Optimization, Surrogate Model
Suggested Citation
Zhang Z, Song X, Li J, Zeng Y, Nie Y, Zhu M, Lu D, Zhang Y, Xiao X, Li J. Machine Learning and Adaptive Sampling Powered Feasible Path Algorithm for Black-box Optimization. Systems and Control Transactions 5:1974-1985 (2026) https://doi.org/10.69997/sct.103112
Author Affiliations
Zhang Z: Chinese Academy of Science, Institute of Process Engineering, Beijing, China. University of Chinese Academy of Science, School of Chemical Engineering, Beijing, China
Song X: Chinese Academy of Science, Institute of Process Engineering, Beijing, China. University of Chinese Academy of Science, School of Chemical Engineering, Beijing, China
Li J: Chinese Academy of Science, Institute of Process Engineering, Beijing, China. University of Chinese Academy of Science, School of Chemical Engineering, Beijing, China
Zeng Y: Chinese Academy of Science, Institute of Process Engineering, Beijing, China
Nie Y: Chinese Academy of Science, Institute of Process Engineering, Beijing, China
Zhu M: Chinese Academy of Science, Institute of Process Engineering, Beijing, China
Lu D: Chinese Academy of Science, Institute of Process Engineering, Beijing, China
Zhang Y: Chinese Academy of Science, Institute of Process Engineering, Beijing, China
Xiao X: Chinese Academy of Science, Institute of Process Engineering, Beijing, China. China Institute for Innovation and Development Strategy, Work Committee on Carbon Neutral Intelligent Industry Innovation, Beijing, China
Li J: The University of Manchester, Department of Chemical Engineering, Manchester, United Kingdom. China Institute for Innovation and Development Strategy, Work Committee on Carbon Neutral Intelligent Industry Innovation, Beijing, China
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Journal Name
Systems and Control Transactions
Volume
5
First Page
1974
Last Page
1985
Year
2026
Publication Date
2026-06-12
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PII: 1974-1985-110-SCT-5-2026, Publication Type: Journal Article
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References Cited
  1. Shields BJ, Stevens J, Li J, Parasram M, Damani F, Alvarado JIM, Janey JM, Adams RP, Doyle AG. Bayesian reaction optimization as a tool for chemical synthesis. Nature 590:89-96 (2021) https://doi.org/10.1038/s41586-021-03213-y
  2. Rangarajan S, Bhan A, Daoutidis P. Identification and analysis of synthesis routes in complex catalytic reaction networks for biomass upgrading. Applied Catalysis B: Environmental 145:149-160 (2014) https://doi.org/10.1016/j.apcatb.2013.01.030
  3. Meijer HEH, Govaert LE. Mechanical performance of polymer systems: the relation between structure and properties. Progress in Polymer Science 30:915-938 (2005) https://doi.org/10.1016/j.progpolymsci.2005.06.009
  4. Dedeyne JN, Geerts M, Reyniers PA, Wéry F, Van Geem KM, Marin GB. Computational fluid dynamics?based optimization of dimpled steam cracking reactors for reduced co2 emissions. AIChE Journal 66: (2020) https://doi.org/10.1002/aic.16255
  5. Lang YD, Malacina A, Biegler LT, Munteanu S, Madsen JI, Zitney SE. Reduced order model based on principal component analysis for process simulation and optimization. Energy Fuels 23:1695-1706 (2009) https://doi.org/10.1021/ef800984v
  6. Na J, Lim Y, Han C. A modified DIRECT algorithm for hidden constraints in an LNG process optimization. Energy 126:488-500 (2017) https://doi.org/10.1016/j.energy.2017.03.047
  7. Bertsimas D, Margaritis G. Global Optimization: A Machine Learning Approach. arXiv. Preprint posted online November 3, 2023. Accessed January 12, 2024. http://arxiv.org/abs/2311.01742
  8. Cozad A, Sahinidis NV, Miller DC. Learning surrogate models for simulation?based optimization. AIChE Journal 60:2211-2227 (2014) https://doi.org/10.1002/aic.14418
  9. Liang R, Han Y, Hu H, Chen B, Yuan Z, Biegler LT. Efficient trust region filter modeling strategies for computationally expensive black-box optimization. Computers & Chemical Engineering 189:108816 (2024) https://doi.org/10.1016/j.compchemeng.2024.108816
  10. Fan S, Hong X, Liao Z, Ren C, Yang Y, Wang J, Yang Y. Adaptive sampling bayesian algorithm for constrained black?box optimization problems. AIChE Journal 71: (2025) https://doi.org/10.1002/aic.18715
  11. Ma Y, McLaughlan M, Zhang N, Li J. Novel feasible path optimisation algorithms using steady-state and/or pseudo-transient simulations. Computers & Chemical Engineering 143:107058 (2020) https://doi.org/10.1016/j.compchemeng.2020.107058
  12. Ma Y, Gao X, Liu C, Li J. Improved SQP and SLSQP algorithms for feasible path-based process optimisation. Computers & Chemical Engineering 188:108751 (2024) https://doi.org/10.1016/j.compchemeng.2024.108751
  13. Ma K, Sahinidis NV, Bindlish R, Bury SJ, Haghpanah R, Rajagopalan S. Data-driven strategies for extractive distillation unit optimization. Computers & Chemical Engineering 167:107970 (2022) https://doi.org/10.1016/j.compchemeng.2022.107970
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