Abstract
The use of computer simulations has become a viable alternative for real-life controlled experiments. Due to the computational cost of these high fidelity simulations, surrogate models are often employed as an approximation for the original simulator. Because of their compact formulation and negligible evaluation time, global surrogate models are very useful tools for exploring the design space, optimization, visualization and sensitivity analysis. Additionally, multiple surrogate models can be chained together to model large scale systems where the direct use of the original expensive simulators would be too cumbersome. Many surrogate model types, such as neural networks, support vector machines and rational models have been proposed, and many more techniques have been developed to minimize the number of expensive simulations required to train a sufficiently accurate surrogate model. In this chapter, we present a fully automated and integrated global surrogate modeling methodology for regression modeling and active learning that readily enables the adoption of advanced global surrogate modeling methods by application scientists. The work brings together insights from distributed systems, artificial intelligence, and modeling & simulation, and has applications in a very wide range of fields. The merits of this approach are illustrated with several examples, and several surrogate model types.
Access this chapter
Tax calculation will be finalised at checkout
Purchases are for personal use only
Preview
Unable to display preview. Download preview PDF.
Similar content being viewed by others
References
Wang, G.G., Shan, S.: Review of metamodeling techniques in support of engineering design optimization. Journal of Mechanical Design 129(4), 370–380 (2007)
Gu, L.: A comparison of polynomial based regression models in vehicle safety analysis. In: Diaz, A. (ed.) 2001 ASME Design Automation Conference, ASME, Pittsburgh, PA (2001)
Giunta, A., McFarland, J., Swiler, L., Eldred, M.: The promise and peril of uncertainty quantification using response surface approximations. Structure & Infrastructure Engineering 2, 175–189 (2006)
Gorissen, D., Crombecq, K., Hendrickx, W., Dhaene, T.: Grid enabled metamodeling. In: Daydé, M., Palma, J.M.L.M., Coutinho, Á.L.G.A., Pacitti, E., Lopes, J.C. (eds.) VECPAR 2006. LNCS, vol. 4395. Springer, Heidelberg (2007)
Hendrickx, W., Dhaene, T.: Sequential design and rational metamodelling. In: Kuhl, M., Steiger, N.M., Armstrong, F.B., Joines, J.A. (eds.) Proceedings of the 2005 Winter Simulation Conference, pp. 290–298 (2005)
Deschrijver, D., Dhaene, T., Zutter, D.D.: Robust parametric macromodeling using multivariate orthonormal vector fitting. IEEE Transactions on Microwave Theory and Techniques 56(7), 1661–1667 (2008)
Simpson, T.W., Poplinski, J.D., Koch, P.N., Allen, J.K.: Metamodels for computer-based engineering design: Survey and recommendations. Eng. Comput (Lond.) 17(2), 129–150 (2001)
Balewski, L., Mrozowski, M.: Creating neural models using an adaptive algorithm for optimal size of neural network and training set. In: 15th International Conference on Microwaves, Radar and Wireless Communications, MIKON 2004, Conference proceedings of MIKON 2004, vol. 2, pp. 543–546 (2004)
Booker, A.J., Dennis, J.E., Frank, P.D., Serafini, D.B., Torczon, V., Trosset, M.W.: A rigorous framework for optimization of expensive functions by surrogate. Structural and Multidisciplinary Optimization 17(1), 1–13 (1999)
Eldred, M.S., Dunlavy, D.M.: Formulations for surrogate-based optimization wiht data fit, multifidelity, and reduced-order models. In: 11th AIAA/ISSMO Multidisciplinary Analysis and Optimization Conference, Protsmouth, Virginia (2006)
Anguita, D., Ridella, S., Rivieccio, F., Zunino, R.: Automatic hyperparameter tuning for support vector machines. In: Dorronsoro, J.R. (ed.) ICANN 2002. LNCS, vol. 2415, pp. 1345–1350. Springer, Heidelberg (2002)
Sanchez, E., Pintos, S., Queipo, N.: Toward an optimal ensemble of kernel-based approximations with engineering applications. In: Proceedings of the International Joint Conference on Neural Networks, 2006. IJCNN 2006, pp. 2152–2158 (2006)
Turner, C.J., Crawford, R.H., Campbell, M.I.: Multidimensional sequential sampling for nurbs-based metamodel development. Eng. with Comput. 23(3), 155–174 (2007)
Sugiyama, M., Ogawa, H.: Release from active learning/model selection dilemma: optimizing sample points and models at the same time. In: Neural Networks, 2002. IJCNN 2002. Proceedings of the 2002 International Joint Conference on Neural Networks, 2002, vol. 3, pp. 2917–2922 (2002)
Lin, Y.: An Efficient Robust Concept Exploration Method and Sequential Exploratory Experimental Design. PhD thesis, Georgia Institute of Technology (2004)
Busby, D., Farmer, C.L., Iske, A.: Hierarchical nonlinear approximation for experimental design and statistical data fitting. SIAM Journal on Scientific Computing 29(1), 49–69 (2007)
Gramacy, R.B., Lee, H.K.H., Macready, W.G.: Parameter space exploration with gaussian process trees. In: ICML 2004: Proceedings of the twenty-first international conference on Machine learning, p. 45. ACM Press, New York (2004)
Farhang-Mehr, A., Azarm, S.: Bayesian meta-modelling of engineering design simulations: a sequential approach with adaptation to irregularities in the response behaviour. International Journal for Numerical Methods in Engineering 62(15), 2104–2126 (2005)
Devabhaktuni, V., Chattaraj, B., Yagoub, M., Zhang, Q.J.: Advanced microwave modeling framework exploiting automatic model generation, knowledge neural networks, and space mapping. IEEE Tran. on Microwave Theory and Techniques 51(7), 1822–1833 (2003)
Ganser, M., Grossenbacher, K., Schutz, M., Willmes, L., Back, T.: Simulation meta-models in the early phases of the product development process. In: Proceedings of Efficient Methods for Robust Design and Optimization (EUROMECH 2007) (2007)
Clarke, S.M., Griebsch, J.H., Simpson, T.W.: Analysis of support vector regression for approximation of complex engineering analyses. In: Proceedings of the 29th Design Automation Conference (ASME Design Engineering Technical Conferences) (DAC/DETC 2003) (2003)
Gorissen, D., Crombecq, K., Couckuyt, I., Dhaene, T.: Automatic approximation of expensive functions with active learning. Technical Report TR-10-08, University of Antwerp, Middelheimlaan 1, 2020 Antwerp, Belgium (2008)
Goel, T., Haftka, R., Shyy, W.: Comparing error estimation measures for polynomial and kriging approximation of noise-free functions. Journal of Structural and Multidisciplinary Optimization (published online) (2008)
Ong, Y.S., Nair, P.B., Keane, A.J., Wong, K.W.: Surrogate-Assisted Evolutionary Optimization Frameworks for High-Fidelity Engineering Design Problems, Knowledge Incorporation in Evolutionary Computation. Studies in Fuzziness and Soft Computing Series, pp. 307–331. Springer, Heidelberg (2004)
Giunta, A., Eldred, M.: Implementation of a trust region model management strategy in the DAKOTA optimization toolkit. In: Proceedings of the 8th AIAA/USAF/NASA/ISSMO Symposium on Multidisciplinary Analysis and Optimization, Long Beach, CA (2000)
Jones, D.R., Schonlau, M., Welch, W.J.: Efficient global optimization of expensive black-box functions. J. of Global Optimization 13(4), 455–492 (1998)
Sasena, M.J., Papalambros, P.Y., Goovaerts, P.: Metamodeling sampling criteria in a global optimization framework. In: 8th AIAA/ USAF/NASA/ISSMO Symposium on Multidisciplinary Analysis and Optimization, Long Beach, CA, AIAA Paper, 2000–4921 (2000)
Parmee, I., Abraham, J., Shackelford, M., Rana, O.F., Shaikhali, A.: Towards autonomous evolutionary design systems via grid-based technologies. In: Proceedings of ASCE Computing in Civil Engineering, Cancun, Mexico (2005)
Eldred, M., Outka, D., Fulcher, C., Bohnhoff, W.: Optimization of complex mechanics simulations with object-oriented software design. In: Proceedings of the 36th IAA/ASME/ASCE/AHS/ASC Structures, Structural Dynamics, and Materials Conference, New Orleans, LA, pp. 2406–2415 (1995)
Zhang, Q.J., Gupta, K.C.: Neural Networks for RF and Microwave Design (Book + Neuromodeler Disk). Artech House, Inc., Norwood (2000)
Gano, S., Kim, H., Brown, D.: Comparison of three surrogate modeling techniques: Datascape, kriging, and second order regression. In: Proceedings of the 11th AIAA/ISSMO Multidisciplinary Analysis and Optimization Conference, AIAA-2006-7048, Portsmouth, Virginia (2006)
Crombecq, K.: A gradient based approach to adaptive metamodeling. Technical report, University of Antwerp (2007)
De Geest, J., Dhaene, T., Faché, N., De Zutter, D.: Adaptive CAD-model building algorithm for general planar microwave structures. IEEE Transactions on Microwave Theory and Techniques 47(9), 1801–1809 (1999)
Barton, R.R.: Design of experiments for fitting subsystem metamodels. In: WSC 1997: Proceedings of the 29th conference on Winter simulation, pp. 303–310. ACM Press, New York (1997)
Forrester, A.I.J., Bressloff, N.W., Keane, A.J.: Optimization using surrogate models and partially converged computational fluid dynamics simulations. Proceedings of the Royal Society 462, 2177–2204 (2006)
Yesilyurt, S., Ghaddar, C.K., Cruz, M.E., Patera, A.T.: Bayesian-validated surrogates for noisy computer simulations; application to random media. SIAM Journal on Scientific Computing 17(4), 973–992 (1996)
Chaveesuk, R., Smith, A.: Economic valuation of capital projects using neural network metamodels. The Engineering Economist 48(1), 1–30 (2003)
Knight, D., Kohn, J., Rasheed, K., Weber, N., Kholodovych, V., Welsh, W., Smith, J.: Using surrogate modeling in the prediction of fibrinogen adsorption onto polymer surfaces. Journal of chemical information and computer science 55, 1088–1097 (2004)
Hidovic, D., Rowe, J.: Validating a model of colon colouration using an evolution strategy with adaptive approximations. In: Deb, K., et al. (eds.) GECCO 2004. LNCS, vol. 3103, pp. 1005–1016. Springer, Heidelberg (2004)
Brown, M., Adams, S., Dunlavy, B., Gay, D., Swiler, D., Giunta, L., Hart, A., Watson, W., Eddy, J.P., Griffin, J., Hough, J., Kolda, P., Martinez-Canales, T., Eldred, M., Williams, P.: Dakota, a multilevel parallel object-oriented framework for design optimization, parameter estimation, uncertainty quantification, and sensitivity analysis: Version 4.1 users manual. Technical Report SAND2006-6337, Sandia Labs (2007)
Kleijnen, J.P., Sanchez, S.M., Lucas, T.W., Cioppa, T.M.: State-of-the-art review: A user’s guide to the brave new world of designing simulation experiments. INFORMS Journal on Computing 17(3), 263–289 (2005)
Ding, M., Vemur, R.: An active learning scheme using support vector machines for analog circuit feasibility classification. In: 18th International Conference on VLSI Design, pp. 528–534 (2005)
Devabhaktuni, V.K., Zhang, Q.J.: Neural network training-driven adaptive sampling algorithm. In: Proceedings of 30th European Microwave Conference, Paris, France, vol. 3, pp. 222–225 (2000)
Robertazzi, T.G., Schwartz, S.C.: An accelerated sequential algorithm for producing d-optimal designs. SIAM Journal on scientific Computing 10, 341–358 (1989)
Keys, A.C., Rees, L.P.: A sequential-design metamodeling strategy for simulation optimization. Comput. Oper. Res. 31(11), 1911–1932 (2004)
Sasena, M.: Flexibility and Efficiency Enhancements For Constrainted Global Design Optimization with Kriging Approximations. PhD thesis, University of Michigan (2002)
Jin, R., Chen, W., Sudjianto, A.: On sequential sampling for global metamodeling in engineering design, detc-dac34092. In: ASME Design Automation Conference, Montreal, Canada (2002)
Lehmensiek, R., Meyer, P., Muller, M.: Adaptive sampling applied to multivariate, multiple output rational interpolation models with applications to microwave circuits. International Journal of RF and microwave computer aided engineering 12(4), 332–340 (2002)
Deschrijver, D., Dhaene, T.: Rational modeling of spectral data using orthonormal vector fitting. In: Proceedings of 9th IEEE Workshop on Signal Propagation on Interconnects, 2005, pp. 111–114 (2005)
Kingston, G., Maier, H., Lambert, M.: Calibration and validation of neural networks to ensure physically plausible hydrological modeling. Journal of Hydrology 314, 158–176 (2005)
Srinivasulu, S., Jain, A.: A comparative analysis of training methods for artificial neural network rainfall-runoff models. Appl. Soft Comput. 6(3), 295–306 (2006)
Wolpert, D.: The supervised learning no-free-lunch theorems. In: Proceedings of the 6th Online World Conference on Soft Computing in Industrial Applications (2001)
Triverio, P., Grivet-Talocia, S., Nakhla, M., Canavero, F.G., Achar, R.: Stability, causality, and passivity in electrical interconnect models. IEEE Transactions on Advanced Packaging 30(4), 795–808 (2007)
Ihme, M., Marsden, A.L., Pitsch, H.: Generation of optimal artificial neural networks using a pattern search algorithm: Application to approximation of chemical systems. Neural Computation 20, 573–601 (2008)
Lessmann, S., Stahlbock, R., Crone, S.: Genetic algorithms for support vector machine model selection. In: International Joint Conference on Neural Networks, 2006. IJCNN 2006, pp. 3063–3069 (2006)
JiGuan, G.L.: Modeling test responses by multivariable polynomials of higher degrees. SIAM Journal on Scientific Computing 28(3), 832–867 (2006)
Ye, K., Li, W., Sudjianto, A.: Algorithmic construction of optimal symmetric latin hypercube designs. Journal of Statistical Planning and Inference 90, 145–159 (2000)
Gorissen, D., Dhaene, T., Demeester, P., Broeckhove, J.: Grid enabled surrogate modeling. In: The Encyclopedia of Grid Computing Technologies and Applications (in press) (2008)
Deb, K., Pratap, A., Agarwal, S., Meyarivan, T.: A fast and elitist multiobjective genetic algorithm: Nsga-ii. IEEE Transactions on Evolutionary Computation 6(2), 182–197 (2002)
Vrugt, J.A., Gupta, H.V., Bouten, W., Sorooshian, S.: A shuffled complex evolution metropolis algorithm for optimization and uncertainty assessment of hydrologic model parameters. Water Resources Research 39(8), 1214–1233 (2003)
Gorissen, D.: Heterogeneous evolution of surrogate models. Master’s thesis, Master of AI, Katholieke Universiteit Leuven, KUL (2007)
Gorissen, D., Tommasi, L.D., Croon, J., Dhaene, T.: Automatic model type selection with heterogeneous evolution: An application to rf circuit block modeling. In: Proceedings of the IEEE Congress on Evolutionary Computation, WCCI 2008, Hong Kong (2008)
Lim, D., Ong, Y.S., Jin, Y., Sendhoff, B.: A study on metamodeling techniques, ensembles, and multi-surrogates in evolutionary computation. In: GECCO 2007: Proceedings of the 9th annual conference on Genetic and evolutionary computation, pp. 1288–1295. ACM, New York (2007)
Goel, T., Haftka, R., Shyy, W., Queipo, N.: Ensemble of surrogates. Structural and Multidisciplinary Optimization 33, 199–216 (2007)
Pozar, D.M.: Microwave Engineering, 2nd edn. John Wiley and Sons, Chichester (1998)
Foresee, F., Hagan, M.: Gauss-newton approximation to bayesian regularization. In: Proceedings of the 1997 International Joint Conference on Neural Networks, pp. 1930–1935 (1997)
Wang, Z.: Airfoil geometry design for minimum drag. Technical Report AAE 550, Purdue University (2005)
UIUC Airfoil Coordinates Database (2008), http://www.ae.uiuc.edu/m-selig/ads/coord_database.html
Design and analysis of subsonic isolated airfoils (2008), http://web.mit.edu/drela/public/web/xfoil/
Finkel, D.E., Kelley, C.T.: Additive scaling and the direct algorithm. J. of Global Optimization 36(4), 597–608 (2006)
Author information
Authors and Affiliations
Editor information
Editors and Affiliations
Rights and permissions
Copyright information
© 2009 Springer-Verlag Berlin Heidelberg
About this chapter
Cite this chapter
Gorissen, D., Crombecq, K., Couckuyt, I., Dhaene, T. (2009). Automatic Approximation of Expensive Functions with Active Learning. In: Hassanien, AE., Abraham, A., Vasilakos, A.V., Pedrycz, W. (eds) Foundations of Computational, Intelligence Volume 1. Studies in Computational Intelligence, vol 201. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-01082-8_2
Download citation
DOI: https://doi.org/10.1007/978-3-642-01082-8_2
Publisher Name: Springer, Berlin, Heidelberg
Print ISBN: 978-3-642-01081-1
Online ISBN: 978-3-642-01082-8
eBook Packages: EngineeringEngineering (R0)