On the estimation of high-dimensional surrogate models of steady-state of plant-wide processes characteristics

Abstract This work generalizes a preliminary investigation (Georgakis and Li, 2010) in which we examined the use of Response Surface Methodology (RSM) for the estimation of surrogate models as accurate approximations of high-dimensional knowledge-driven models. Three processes are examined with higher complexity than before, accounting for a much larger number of input and output variables. The surrogate models obtained are used to analyze several steady-state plant-wide characteristics. In all processes, the knowledge-driven model is a dynamic simulation with a plant-wide control structure of multiple SISO controllers. This type of controller proves to not be robust enough in its stability characteristics to enable substantial changes in the set-points. The net-elastic regularization is successfully used for the estimation of the metamodel parameters, avoiding overfitting and eliminating insignificant terms. Cross validation is used to compare and evaluate the relative accuracy of the quadratic and cubic models.

[1]  W. Luyben Snowball effects in reactor/separator processes with recycle , 1994 .

[2]  N. Lawrence Ricker,et al.  Decentralized control of the Tennessee Eastman Challenge Process , 1996 .

[3]  Nikolai Klebanov,et al.  Dynamic Response Surface Models: A Data-Driven Approach for the Analysis of Time-Varying Process Outputs , 2016 .

[4]  Atharv Bhosekar,et al.  Advances in surrogate based modeling, feasibility analysis, and optimization: A review , 2018, Comput. Chem. Eng..

[5]  Marianthi G. Ierapetritou,et al.  An adaptive reduction scheme to model reactive flow , 2006, Combustion and Flame.

[6]  Selen Cremaschi,et al.  Process synthesis of biodiesel production plant using artificial neural networks as the surrogate models , 2012, Comput. Chem. Eng..

[7]  C. Georgakis,et al.  On the Calculation of Operability Sets of Nonlinear High-Dimensional Processes , 2010 .

[8]  I. Grossmann,et al.  An algorithm for the use of surrogate models in modular flowsheet optimization , 2008 .

[9]  G. Gary Wang,et al.  Review of Metamodeling Techniques in Support of Engineering Design Optimization , 2007 .

[10]  David C. Miller,et al.  Learning surrogate models for simulation‐based optimization , 2014 .

[11]  Christos Georgakis,et al.  Plant-wide control of the Tennessee Eastman problem , 1995 .

[12]  T. Simpson,et al.  Comparative studies of metamodelling techniques under multiple modelling criteria , 2001 .

[13]  William Stafford Noble,et al.  Support vector machine , 2013 .

[14]  H. Zou,et al.  Regularization and variable selection via the elastic net , 2005 .

[15]  Christodoulos A. Floudas,et al.  ARGONAUT: AlgoRithms for Global Optimization of coNstrAined grey-box compUTational problems , 2017, Optim. Lett..

[16]  Christine A. Shoemaker,et al.  Influence of ensemble surrogate models and sampling strategy on the solution quality of algorithms for computationally expensive black-box global optimization problems , 2014, J. Glob. Optim..

[17]  Christos T. Maravelias,et al.  Surrogate-Based Process Synthesis , 2010 .

[18]  Christodoulos A. Floudas,et al.  ANTIGONE: Algorithms for coNTinuous / Integer Global Optimization of Nonlinear Equations , 2014, Journal of Global Optimization.

[19]  Victor M. Zavala,et al.  Large-scale nonlinear programming using IPOPT: An integrating framework for enterprise-wide dynamic optimization , 2009, Comput. Chem. Eng..

[20]  Christos Georgakis,et al.  Design of Dynamic Experiments: A Data-Driven Methodology for the Optimization of Time-Varying Processes , 2013 .

[21]  Mohieddine Jelali,et al.  Revision of the Tennessee Eastman Process Model , 2015 .

[22]  William L. Luyben,et al.  Principles and Case Studies of Simultaneous Design , 2011 .

[23]  Sigurd Skogestad,et al.  Self-optimizing control of a large-scale plant: The Tennessee Eastman process , 2001 .

[24]  Nikolaos V. Sahinidis,et al.  BARON: A general purpose global optimization software package , 1996, J. Glob. Optim..

[25]  E. F. Vogel,et al.  A plant-wide industrial process control problem , 1993 .

[26]  Selen Cremaschi,et al.  Adaptive sequential sampling for surrogate model generation with artificial neural networks , 2014, Comput. Chem. Eng..

[27]  Christodoulos A. Floudas,et al.  Global optimization of general constrained grey-box models: new method and its application to constrained PDEs for pressure swing adsorption , 2017, J. Glob. Optim..

[28]  Nikolaos V. Sahinidis,et al.  Uncertainty Quantification in CO2 Sequestration Using Surrogate Models from Polynomial Chaos Expansion , 2013 .

[29]  Christine A. Shoemaker,et al.  SO-MI: A surrogate model algorithm for computationally expensive nonlinear mixed-integer black-box global optimization problems , 2013, Comput. Oper. Res..