Active learning strategies for the estimation of a feasible set defined from a vector output black-box simulator
The SMAI Journal of computational mathematics, Volume 12 (2026), pp. 331-369

Many industrial problems require the use of black-box numerical simulators, for which it is essential to determine the set of so-called feasible input parameters. A set of parameters is feasible if the output of the code on these parameters satisfies given constraints, for example, by remaining below a certain threshold. Active learning is an effective approach to solve this type of problem, by sequentially enriching a design of experiments using a well-chosen acquisition criterion, based here on a Gaussian process surrogate model. In this work, we focus specifically on simulators with vector outputs. We propose several enrichment strategies to simultaneously explore the entire collection of feasible sets associated with each output component. These enrichment strategies are first tested and compared on analytical test functions, before being applied to the pre-calibration of a simulator dedicated to wind turbine design. The aim is to identify input parameter configurations that respect the vibration constraints imposed on the simulator outputs. Numerical results demonstrate the efficiency of the three proposed strategies, which are compared against two baseline strategies (random sampling and Sobol’ sequence).

Published online:
DOI: 10.5802/smai-jcm.151
Classification: 60G60, 60G15, 62P30
Keywords: Gaussian process regression, excursion set estimation, multi-output black-box functions, active learning, sequential design of experiments

Clément Duhamel  1 ; Céline Helbert  2 ; Miguel Munoz Zuniga  3 ; Clémentine Prieur  1 ; Delphine Sinoquet  3

1 Univ. Grenoble Alpes, Inria, CNRS, Grenoble INP, LJK, 38000 Grenoble, France
2 Centrale Lyon, CNRS, INSA Lyon, Universite Claude Bernard Lyon 1, Université Jean Monnet, ICJ UMR5208, Ecully, France.
3 IFP Energies Nouvelles, 92852 Rueil-Malmaison, France
Clément Duhamel; Céline Helbert; Miguel Munoz Zuniga; Clémentine Prieur; Delphine Sinoquet. Active learning strategies for the estimation of a feasible set defined from a vector output black-box simulator. The SMAI Journal of computational mathematics, Volume 12 (2026), pp. 331-369. doi: 10.5802/smai-jcm.151
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[1] NREL OpenFAST Documentation Release v2. 3.0, 2020

[2] Milton Abramowitz; Irene A. Stegun Handbook of Mathematical Functions with formulas, graphs, and mathematical tables, National Bureau of Standards, Applied Mathematics Series, 55, U.S. Department of Commerce, 1966, 1046 pages

[3] Mauricio A. Alvarez; Lorenzo Rosasco; Neil D. Lawrence; , , Kernels for vector-valued functions: A review, Found. Trends Mach. Learn., Volume 4 (2012) no. 3, pp. 195-266 | Zbl | DOI

[4] Dario Azzimonti; David Ginsbourger Estimating orthant probabilities of high-dimensional Gaussian vectors with an application to set estimation, J. Comput. Graph. Stat., Volume 27 (2018) no. 2, pp. 255-267 | DOI | MR | Zbl

[5] Christian Bak; Frederik Zahle; Robert Bitsche; Taeseong Kim; Anders Yde; Lars Christian Henriksen; Morten Hartvig Hansen; Jose Pedro Albergaria Amaral Blasques; Mac Gaunaa; Anand Natarajan The DTU 10-MW reference wind turbine, 2013

[6] Julien Bect; David Ginsbourger; Ling Li; Victor Picheny; Emmanuel Vazquez Sequential design of computer experiments for the estimation of a probability of failure, Stat. Comput., Volume 22 (2012) no. 3, pp. 773-793 | DOI | MR | Zbl

[7] Yoshua Bengio; Ian Goodfellow; Aaron Courville Deep learning. Vol. 1, MIT Press, 2017 | MR

[8] Barron J. Bichon; Michael S. Eldred; Laura Painton Swiler; Sandaran Mahadevan; John M. McFarland Efficient global reliability analysis for nonlinear implicit performance functions, AIAA J., Volume 46 (2008) no. 10, pp. 2459-2468 | DOI

[9] Edwin V. Bonilla; Kian Chai; Christopher Williams Multi-task Gaussian process prediction, Proceedings of the 21st International Conference on Neural Information Processing Systems, Curran Associates, Inc., 2007, pp. 153-160

[10] Mohamed Amine Bouhlel; Nathalie Bartoli; Abdelkader Otsmane; Joseph Morlier Improving kriging surrogates of high-dimensional design models by Partial Least Squares dimension reduction, Struct. Multidiscip. Optim., Volume 53 (2016) no. 5, pp. 935-952 | MR | DOI

[11] Rune Brincker; Carlos Ventura Introduction to operational modal analysis, John Wiley & Sons, 2015 | DOI | Zbl

[12] Ambroise Cadoret Analyse modale opérationnelle pour le suivi de santé structurelle des éoliennes, Université de Rennes (2023)

[13] Russel E. Caflisch Monte carlo and quasi-monte carlo methods, Acta Numer., Volume 7 (1998), pp. 1-49 | DOI | Zbl

[14] Pierre Dagnelie Statistique théorique et appliquée: Les bases théoriques, Les Presses Agronomiques de Gembloux, 1992 | Zbl

[15] Guillaume Damblin; Mathieu Couplet; Bertrand Iooss Numerical studies of space-filling designs: optimization of Latin Hypercube Samples and subprojection properties, J. Simul., Volume 7 (2013) no. 4, pp. 276-289 | DOI

[16] Kalyanmoy Deb; Amrit Pratap; Sameer Agarwal; T. Meyarivan A fast and elitist multiobjective genetic algorithm: NSGA-II, IEEE Trans. Evol. Comput., Volume 6 (2002) no. 2, pp. 182-197 | DOI

[17] Yves Deville; David Ginsbourger; Olivier Roustant Contributors; Nicolas Durrande; Maintainer Olivier Roustant Package ‘kergp’, 2015

[18] Clément Duhamel Gaussian processes-based excursion set estimation for scalar or vector black box functions. Application to the calibration of a numerical wind turbine simulator., Université Grenoble Alpes (2024)

[19] Clément Duhamel; Céline Helbert; Miguel Munoz Zuniga; Clémentine Prieur; Delphine Sinoquet A SUR version of the Bichon criterion for excursion set estimation, Stat. Comput., Volume 33 (2023) no. 2, 41, 17 pages | MR | DOI | Zbl

[20] Delphine Dupuy; Céline Helbert; Jessica Franco DiceDesign and DiceEval: Two R packages for design and analysis of computer experiments, J. Stat. Softw., Volume 65 (2015) no. 11, pp. 1-38 | DOI

[21] Christophe Dutang; Petr Savicky randtoolbox: Generating and testing random numbers, 2013

[22] Benjamin Echard; Nicolas Gayton; Maurice Lemaire AK-MCS: an active learning reliability method combining Kriging and Monte Carlo simulation, Struct. Saf., Volume 33 (2011) no. 2, pp. 145-154 | DOI

[23] Mohamed Reda El Amri; Céline Helbert; Olivier Lepreux; Miguel Munoz Zuniga; Clémentine Prieur; Delphine Sinoquet Data-driven stochastic inversion via functional quantization, Stat. Comput., Volume 30 (2020), pp. 525-541 | MR | DOI | Zbl

[24] Michael S. Floater; Kai Hormann Barycentric rational interpolation with no poles and high rates of approximation, Numer. Math., Volume 107 (2007), pp. 315-331 | MR | DOI | Zbl

[25] Carlos M. Fonseca; Luis Paquete; Manuel Lopez-Ibanez An improved dimension-sweep algorithm for the hypervolume indicator, Proceedings of the IEEE Congress on Evolutionary Computation, IEEE Press (2006), pp. 1157-1163 | DOI

[26] Trygve Olav Fossum; Cédric Travelletti; Jo Eidsvik; David Ginsbourger; Kanna Rajan Learning excursion sets of vector-valued Gaussian random fields for autonomous ocean sampling, Ann. Appl. Stat., Volume 15 (2021) no. 2, pp. 597-618 | MR | DOI | Zbl

[27] Jerome H. Friedman Greedy function approximation: a gradient boosting machine, Ann. Stat., Volume 29 (2001) no. 5, pp. 1189-1232 | Zbl | MR | DOI

[28] Zhi-Fang Fu; Jimin He Modal analysis, Elsevier, 2001

[29] Clément Gauchy Uncertainty quantification methodology for seismic fragility curves of mechanical structures: Application to a piping system of a nuclear power plant, Institut Polytechnique de Paris (2022)

[30] Simen Gaure Details of chebpol, 2013

[31] Alan Genz Numerical computation of rectangular bivariate and trivariate normal and t probabilities, Stat. Comput., Volume 14 (2004), pp. 251-260 | MR | DOI

[32] David Ginsbourger Sequential design of computer experiments, Wiley StatsRef: Statistics Reference Online, John Wiley & Sons, 2017, pp. 1-9 | DOI

[33] David Ginsbourger; Delphine Dupuy; Anca Badea; Laurent Carraro; Olivier Roustant A note on the choice and the estimation of kriging models for the analysis of deterministic computer experiments, Appl. Stochastic Models Bus. Ind., Volume 25 (2009) no. 2, pp. 115-131 | DOI | MR | Zbl

[34] Pierre Goovaerts Geostatistics for natural resources evaluation, Oxford University Press, 1997 | DOI | Zbl

[35] Nico S. Gorbach; Andrew An Bian; Benjamin Fischer; Stefan Bauer; Joachim M. Buhmann Model selection for gaussian process regression, Pattern Recognition: 39th German Conference, GCPR 2017, Basel, Switzerland, September 12–15, 2017, Proceedings 39, Springer (2017), pp. 306-318

[36] Nikolaus Hansen; Anne Auger; Raymond Ros; Olaf Mersmann; Tea Tušar; Dimo Brockhoff COCO: A platform for comparing continuous optimizers in a black-box setting, Optim. Methods Softw., Volume 36 (2021) no. 1, pp. 114-144 | DOI | MR | Zbl

[37] Céline Helbert; Delphine Dupuy; Laurent Carraro Assessment of uncertainty in computer experiments from Universal to Bayesian Kriging, Appl. Stochastic Models Bus. Ind., Volume 25 (2009) no. 2, pp. 99-113 | DOI | MR | Zbl

[38] Jeffrey D. Helterbrand; Noel Cressie Universal cokriging under intrinsic coregionalization, Math. Geol., Volume 26 (1994), pp. 205-226 | DOI | MR | Zbl

[39] Ruichen Jin; Wei Chen; Agus Sudjianto On sequential sampling for global metamodeling in engineering design, Proceedings of the ASME 2002 International Design Engineering Technical Conferences and Computers and Information in Engineering Conference. Volume 2: 28th Design Automation Conference, American Society of Mechanical Engineer (2002), pp. 539-548 | DOI

[40] Donald R. Jones; Matthias Schonlau; William J. Welch Efficient global optimization of expensive black-box functions, J. Glob. Optim., Volume 13 (1998) no. 4, pp. 455-492 | DOI | MR | Zbl

[41] Haitao Liu; Jianfei Cai; Yew-Soon Ong Remarks on multi-output Gaussian process regression, Knowledge-Based Syst., Volume 144 (2018), pp. 102-121 | DOI

[42] R. Timothy Marler; Jasbir S. Arora Survey of multi-objective optimization methods for engineering, Struct. Multidiscip. Optim., Volume 26 (2004), pp. 369-395 | DOI | MR | Zbl

[43] M. D. McKay; R. J. Beckman; W. J. Conover Comparison of Three Methods for Selecting Values of Input Variables in the Analysis of Output from a Computer Code, Technometrics, Volume 21 (1979) no. 2, pp. 239-245 | MR | Zbl

[44] Jorge J. Moré; Stefan M. Wild Benchmarking derivative-free optimization algorithms, SIAM J. Optim., Volume 20 (2009) no. 1, pp. 172-191 | DOI | MR | Zbl

[45] Harald Niederreiter Random number generation and quasi-Monte Carlo methods, Society for Industrial and Applied Mathematics, 1992 | DOI | MR | Zbl

[46] Anthony O’Hagan Curve fitting and optimal design for prediction, J. R. Stat. Soc., Ser. B, Stat. Methodol., Volume 40 (1978) no. 1, pp. 1-24 | DOI | MR | Zbl

[47] Michael Osborne Gaussian processes for prediction, 2007

[48] Christopher Joseph Paciorek Nonstationary Gaussian processes for regression and spatial modelling, Carnegie Mellon University (2003)

[49] Julien Pelamatti; Rodolphe Le Riche; Céline Helbert; Christophette Blanchet-Scalliet Coupling and selecting constraints in Bayesian optimization under uncertainties, Optim. Eng., Volume 25 (2024) no. 1, pp. 373-412 | DOI | MR | Zbl

[50] Victor Picheny; David Ginsbourger; Olivier Roustant; Raphael T. Haftka; Nam-Ho Kim Adaptive designs of experiments for accurate approximation of a target region, J. Mech. Des., Volume 132 (2010) no. 7, 071008, 9 pages | DOI

[51] Victor Picheny; Tobias Wagner; David Ginsbourger A benchmark of kriging-based infill criteria for noisy optimization, Struct. Multidiscip. Optim., Volume 48 (2013) no. 3, pp. 607-626 | DOI

[52] Michael J. D. Powell Direct search algorithms for optimization calculations, Acta Numer., Volume 7 (1998), pp. 287-336 | DOI | Zbl

[53] Carl Edward Rasmussen; Christopher Williams Gaussian processes for machine learning, MIT Press, 2006 | Zbl | MR

[54] Edwin Reynders System identification methods for (operational) modal analysis: review and comparison, Arch. Comput. Methods Eng., Volume 19 (2012), pp. 51-124 | DOI | MR | Zbl

[55] Olivier Roustant; David Ginsbourger; Yves Deville DiceKriging, DiceOptim: Two R packages for the analysis of computer experiments by kriging-based metamodeling and optimization (2012)

[56] Nidamarthi Srinivas; Kalyanmoy Deb Muiltiobjective optimization using nondominated sorting in genetic algorithms, Evol. Comput., Volume 2 (1994) no. 3, pp. 221-248 | DOI

[57] Heike Trautmann; Detlef Steuer; Olaf Mersmann Package ‘mco’, 2013

[58] Tea Tušar; Dimo Brockhoff; Nikolaus Hansen; Anne Auger COCO: the bi-objective black box optimization benchmarking (bbob-biobj) test suite (2016)

[59] Peter Van Overschee; Bart De Moor Subspace identification for linear systems: Theory–Implementation–Applications, Springer, 2012 | MR

[60] T. L. Vincent; W. J. Grantham Optimality in Parametric Systems, John Wiley & Sons, 1981 | MR | Zbl

[61] Rick Wagner Multi-linear interpolation, 2008

[62] Dongbin Xiu; George Em Karniadakis The Wiener–Askey polynomial chaos for stochastic differential equations, SIAM J. Sci. Comput., Volume 24 (2002) no. 2, pp. 619-644 | DOI | MR | Zbl

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