Feasibility analysis of black-box processes using an adaptive sampling Kriging-based method. - Fani Boukouvala; Marianthi G. Ierapetritou (Comput. Chem. Eng., 2012)

An integrated approach for dynamic flowsheet modeling and sensitivity analysis of a continuous tablet manufacturing process. - Fani Boukouvala; Vasilios Niotis; Rohit Ramachandran; Fernando J. Muzzio; Marianthi G. Ierapetritou (Comput. Chem. Eng., 2012)

A multi-scale framework for CO2 capture, utilization, and sequestration: CCUS and CCU. - M. M. Faruque Hasan; Eric L. First; Fani Boukouvala; Christodoulos A. Floudas (Comput. Chem. Eng., 2015)

Data-driven modeling and global optimization of industrial-scale petrochemical planning operations. - Fani Boukouvala; Jie Li; Xin Xiao; Christodoulos A. Floudas (ACC, 2016)

Global optimization advances in Mixed-Integer Nonlinear Programming, MINLP, and Constrained Derivative-Free Optimization, CDFO. - Fani Boukouvala; Ruth Misener; Christodoulos A. Floudas (Eur. J. Oper. Res., 2016)

Global optimization of general constrained grey-box models: new method and its application to constrained PDEs for pressure swing adsorption. - Fani Boukouvala; M. M. Faruque Hasan; Christodoulos A. Floudas (J. Glob. Optim., 2017)

ARGONAUT: AlgoRithms for Global Optimization of coNstrAined grey-box compUTational problems. - Fani Boukouvala; Christodoulos A. Floudas (Optim. Lett., 2017)

Optimal design of energy systems using constrained grey-box multi-objective optimization. - Burcu Beykal; Fani Boukouvala; Christodoulos A. Floudas; Efstratios N. Pistikopoulos (Comput. Chem. Eng., 2018)

Global optimization of grey-box computational systems using surrogate functions and application to highly constrained oil-field operations. - Burcu Beykal; Fani Boukouvala; Christodoulos A. Floudas; Nadav Sorek; Hardikkumar Zalavadia; Eduardo Gildin (Comput. Chem. Eng., 2018)

Optimization of black-box problems using Smolyak grids and polynomial approximations. - Chris A. Kieslich; Fani Boukouvala; Christodoulos A. Floudas (J. Glob. Optim., 2018)

An integrated data-driven modeling & global optimization approach for multi-period nonlinear production planning problems. - C. Doga Demirhan; Fani Boukouvala; Kyungwon Kim; Hyeju Song; William W. Tso; Christodoulos A. Floudas; Efstratios N. Pistikopoulos (Comput. Chem. Eng., 2020)

Managing uncertainty in data-driven simulation-based optimization. - Gordon Hüllen; Jianyuan Zhai; Sun Hye Kim; Anshuman Sinha; Matthew J. Realff; Fani Boukouvala (Comput. Chem. Eng., 2020)

Surrogate-based optimization for mixed-integer nonlinear problems. - Sun Hye Kim; Fani Boukouvala (Comput. Chem. Eng., 2020)

A preface to the special issue in memory of Professor Christodoulos A. Floudas. - Fani Boukouvala; Chrysanthos E. Gounaris (Optim. Lett., 2020)

Machine learning-based surrogate modeling for data-driven optimization: a comparison of subset selection for regression techniques. - Sun Hye Kim; Fani Boukouvala (Optim. Lett., 2020)

Correction to: A preface to the special issue in memory of Professor Christodoulos A. Floudas. - Fani Boukouvala; Chrysanthos E. Gounaris (Optim. Lett., 2021)

Perspectives on the integration between first-principles and data-driven modeling. - William Bradley; Jinhyeun Kim; Zachary A. Kilwein; Logan Blakely; Michael Eydenberg; Jordan Jalvin; Carl D. Laird; Fani Boukouvala (Comput. Chem. Eng., 2022)

Data-driven spatial branch-and-bound algorithms for box-constrained simulation-based optimization. - Jianyuan Zhai; Fani Boukouvala (J. Glob. Optim., 2022)

Physics-based Penalization for Hyperparameter Estimation in Gaussian Process Regression. - Jinhyeun Kim; Christopher Luettgen; Kamran Paynabar; Fani Boukouvala (Comput. Chem. Eng., 2023)

Fitting micro-kinetic models to transient kinetics of temporal analysis of product reactors using kinetics-informed neural networks. - Dingqi Nai; Gabriel S. Gusmão; Zachary A. Kilwein; Fani Boukouvala; Andrew J. Medford (CoRR, 2024)

Enabling global interpolation, derivative estimation and model identification from sparse multi-experiment time series data via neural ODEs. - William Bradley; Ron Volkovinsky; Fani Boukouvala (Eng. Appl. Artif. Intell., 2024)

Machine learning in process systems engineering: Challenges and opportunities. - Prodromos Daoutidis; Jay H. Lee; Srinivas Rangarajan; Leo Chiang; R. Bhushan Gopaluni; Artur M. Schweidtmann; Iiro Harjunkoski; Mehmet Mercangöz; Ali Mesbah 002; Fani Boukouvala; Fernando V. Lima; Ehecatl Antonio del Rio-Chanona; et al. (Comput. Chem. Eng., 2024)