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Exact Optimal Designs of Experiments for Factorial Models via Mixed-Integer Semidefinite Programming

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  • Belmiro P. M. Duarte

    (Department of Chemical and Biological Engineering, Coimbra Engineering Academia, Polytechnic Institute of Coimbra, Rua Pedro Nunes, Quinta da Nora, 3030-199 Coimbra, Portugal
    Centro de Investigação em Engenharia dos Processos Químicos e dos Produtos da Floresta, Department of Chemical Engineering, University of Coimbra, Rua Sílvio Lima, Pólo II, 3030-790 Coimbra, Portugal)

Abstract

The systematic design of exact optimal designs of experiments is typically challenging, as it results in nonconvex optimization problems. The literature on the computation of model-based exact optimal designs of experiments via mathematical programming, when the covariates are categorical variables, is still scarce. We propose mixed-integer semidefinite programming formulations, to find exact D-, A- and I-optimal designs for linear models, and locally optimal designs for nonlinear models when the design domain is a finite set of points. The strategy requires: (i) the generation of a set of candidate treatments; (ii) the formulation of the optimal design problem as a mixed-integer semidefinite program; and (iii) its solution, employing appropriate solvers. For comparison, we use semidefinite programming-based formulations to find equivalent approximate optimal designs. We demonstrate the application of the algorithm with various models, considering both unconstrained and constrained setups. Equivalent approximate optimal designs are used for comparison.

Suggested Citation

  • Belmiro P. M. Duarte, 2023. "Exact Optimal Designs of Experiments for Factorial Models via Mixed-Integer Semidefinite Programming," Mathematics, MDPI, vol. 11(4), pages 1-17, February.
    • Handle: RePEc:gam:jmathe:v:11:y:2023:i:4:p:854-:d:1060926
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    References listed on IDEAS

    as
    1. Goos, P. & Donev, A.N., 2006. "Blocking response surface designs," Computational Statistics & Data Analysis, Elsevier, vol. 51(2), pages 1075-1088, November.
    2. Harman, Radoslav & Filová, Lenka, 2014. "Computing efficient exact designs of experiments using integer quadratic programming," Computational Statistics & Data Analysis, Elsevier, vol. 71(C), pages 1159-1167.
    3. L. Imhof & J. Lopez‐Fidalgo & W. K. Wong, 2001. "Efficiencies of Rounded Optimal Approximate Designs for Small Samples," Statistica Neerlandica, Netherlands Society for Statistics and Operations Research, vol. 55(3), pages 301-318, November.
    4. Belmiro P. M. Duarte & Weng Kee Wong, 2015. "Finding Bayesian Optimal Designs for Nonlinear Models: A Semidefinite Programming-Based Approach," International Statistical Review, International Statistical Institute, vol. 83(2), pages 239-262, August.
    5. Min Yang & Stefanie Biedermann & Elina Tang, 2013. "On Optimal Designs for Nonlinear Models: A General and Efficient Algorithm," Journal of the American Statistical Association, Taylor & Francis Journals, vol. 108(504), pages 1411-1420, December.
    6. Belmiro P. M. Duarte & Guillaume Sagnol, 2020. "Approximate and exact optimal designs for $$2^k$$ 2 k factorial experiments for generalized linear models via second order cone programming," Statistical Papers, Springer, vol. 61(6), pages 2737-2767, December.
    7. Duarte, Belmiro P.M. & Wong, Weng Kee & Atkinson, Anthony C., 2015. "A Semi-Infinite Programming based algorithm for determining T-optimum designs for model discrimination," Journal of Multivariate Analysis, Elsevier, vol. 135(C), pages 11-24.
    8. Harman, Radoslav & Jurík, Tomás, 2008. "Computing c-optimal experimental designs using the simplex method of linear programming," Computational Statistics & Data Analysis, Elsevier, vol. 53(2), pages 247-254, December.
    9. Lenka Filová & Radoslav Harman, 2020. "Ascent with quadratic assistance for the construction of exact experimental designs," Computational Statistics, Springer, vol. 35(2), pages 775-801, June.
    10. Dette, Holger & Pepelyshev, Andrey & Zhigljavsky, Anatoly, 2008. "Improving updating rules in multiplicative algorithms for computing D-optimal designs," Computational Statistics & Data Analysis, Elsevier, vol. 53(2), pages 312-320, December.
    11. Peter Goos & Bradley Jones & Utami Syafitri, 2016. "I-Optimal Design of Mixture Experiments," Journal of the American Statistical Association, Taylor & Francis Journals, vol. 111(514), pages 899-911, April.
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