Surrogate-based optimization for pharmaceutical manufacturing processes

Z Wang, MS Escotet-Espinoza, R Singh… - Computer Aided …, 2017 - Elsevier
The development of pharmaceutical manufacturing processes has been facilitated by recent
advances in the process simulation area. However, since the simulations are usually …

A surrogate‐based framework for feasibility‐driven optimization of expensive simulations

H Tian, MG Ierapetritou - AIChE Journal, 2024 - Wiley Online Library
Surrogate‐based optimization approaches have been widely adopted in industrial problems
due to their potential to reduce the number of simulation runs required in the optimization …

A novel surrogate-based optimization method for black-box simulation with heteroscedastic noise

Z Wang, M Ierapetritou - Industrial & Engineering Chemistry …, 2017 - ACS Publications
Simulation optimization (SO) problems can be difficult to solve because of the lack of
knowledge of the algebraic model equations and the unknown structure of the noise …

Data-driven construction of convex region surrogate models

Q Zhang, IE Grossmann, A Sundaramoorthy… - optimization and …, 2016 - Springer
With the increasing trend of solving more complex and integrated optimization problems,
there is a need for developing process models that are sufficiently accurate as well as …

Surrogate-based optimization for mixed-integer nonlinear problems

SH Kim, F Boukouvala - Computers & Chemical Engineering, 2020 - Elsevier
Simulation-based optimization using surrogate models enables decision-making through
the exchange of data from high-fidelity models and development of approximations. Many …

Global optimization for integrated design and control of computationally expensive process models

JA Egea, D Vries, AA Alonso… - Industrial & engineering …, 2007 - ACS Publications
The problem of integrated design and control optimization of process plants is discussed in
this paper. We consider it as a nonlinear programming problem subject to differential …

Effective sampling, modeling and optimization of constrained black-box problems

I Bajaj, MMF Hasan - Computer Aided Chemical Engineering, 2016 - Elsevier
An effective strategy for the sampling, modeling, and optimization of black-box problems with
constraints is proposed. Black-box systems are often approximated and solved using …

Enhanced surrogate assisted framework for constrained global optimization of expensive black-box functions

RR Carpio, RC Giordano, AR Secchi - Computers & Chemical Engineering, 2018 - Elsevier
An enhanced surrogate assisted framework, based on Probability of Improvement (PI)
method, is proposed in this paper. We made some modifications to the original PI approach …

Adaptive sampling approaches for surrogate-based optimization

L Dias, A Bhosekar, M Ierapetritou - Computer aided chemical engineering, 2019 - Elsevier
Surrogate based modeling has been commonly used as a simplification of computationally
complex simulations and processes where the underlying equations are unknown (black …

Smart sampling algorithm for surrogate model development

SS Garud, IA Karimi, M Kraft - Computers & Chemical Engineering, 2017 - Elsevier
Surrogate modelling aims to reduce computational costs by avoiding the solution of rigorous
models for complex physicochemical systems. However, it requires extensive sampling to …