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Knowledge-Infused Optimization for Parameter Selection in Numerical Simulations

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Advances in Knowledge Discovery and Data Mining (PAKDD 2024)

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Abstract

Many engineering applications rely on simulations based on partial differential equations. Different numerical schemes to approximate solutions exist. These schemes typically require setting parameters to appropriately model the problem at hand. We study the problem of parameter selection for applications that rely on simulations, where standard methods like grid search are computationally prohibitive. Our solution supports engineers in setting parameters based on knowledge gained through analyzing metadata acquired while partially executing specific simulations. Selecting these so-called farming runs of simulations is guided by an optimization algorithm that leverages the acquired knowledge. Experiments demonstrate that our solution outperforms state-of-the-art approaches and generalizes to a wide range of application settings.

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Notes

  1. 1.

    anonymous.4open.science/r/simulation-optimizer-E691.

References

  1. Bergstra, J., Bengio, Y.: Random search for hyper-parameter optimization. J. Mach. Learn. Res. 13, 281–305 (2012)

    MathSciNet  Google Scholar 

  2. Davis, T.A., Hu, Y.: The university of Florida sparse matrix collection. ACM Trans. Math. Softw. (TOMS) 38(1), 1–25 (2011)

    MathSciNet  Google Scholar 

  3. Guennebaud, G., Jacob, B., et al.: Eigen v3 (2010). http://eigen.tuxfamily.org

  4. Halkidi, M., Vazirgiannis, M.: Clustering validity assessment: finding the optimal partitioning of a data set. In: IEEE ICDM (2001)

    Google Scholar 

  5. Hestenes, M.R., Stiefel, E.: Methods of conjugate gradients for solving linear systems. J. Res. Nat. Bur. Stand. 49(6) (1952)

    Google Scholar 

  6. Jiménez, J.: pyGPGO Python package (2020). https://github.com/josejimenezluna/pyGPGO

  7. Kühnert, J., Göddeke, D., Herschel, M.: Provenance-integrated parameter selection and optimization in numerical simulations. In: USENIX TAPP (2021)

    Google Scholar 

  8. Lashkov, A., Rubinsky, S., Eistrikh-Heller, P.: S_dbw 0.4.0 (2019). https://pypi.org/project/s-dbw/

  9. Li, L., Jamieson, K., DeSalvo, G., Rostamizadeh, A., Talwalkar, A.: Hyperband: a novel bandit-based approach to hyperparameter optimization. J. Mach. Learn. Res. 18(1), 1–52 (2017)

    MathSciNet  Google Scholar 

  10. Li, X.S., Shao, M.: A supernodal approach to incomplete lu factorization with partial pivoting. ACM Trans. Math. Softw. (TOMS) 37(4), 1–20 (2011)

    Article  MathSciNet  Google Scholar 

  11. Liu, Y., Li, Z., Xiong, H., Gao, X., Wu, J.: Understanding of internal clustering validation measures. In: IEEE ICDM (2010)

    Google Scholar 

  12. Saad, Y.: ILUT: a dual threshold incomplete LU factorization. Numer. Linear Algebra Appl. 1(4) (1994)

    Google Scholar 

  13. Seeger, M.: Gaussian processes for machine learning. Int. J. Neural Syst. 14(02), 69–106 (2004)

    Article  Google Scholar 

  14. Shahriari, B., Swersky, K., Wang, Z., Adams, R.P., Freitas, N.D.: Taking the human out of the loop: a review of bayesian optimization. Proc. IEEE 104(1), 148–175 (2015)

    Article  Google Scholar 

  15. Van der Vorst, H.: Bi-CGSTAB: a fast and smoothly converging variant of Bi-CG for the solution of nonsymmetric linear systems. SIAM J. Sci. Stat. Comput. 13(2), 631–644 (1992)

    Article  MathSciNet  Google Scholar 

  16. Yang, L., Shami, A.: On hyperparameter optimization of machine learning algorithms: theory and practice. Neurocomputing 415, 295–316 (2020)

    Article  Google Scholar 

Download references

Acknowledgement

Funded by Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) under Germany’s Excellence Strategy – EXC 2075 – 390740016.

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Correspondence to Julia Meißner .

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Meißner, J., Göddeke, D., Herschel, M. (2024). Knowledge-Infused Optimization for Parameter Selection in Numerical Simulations. In: Yang, DN., Xie, X., Tseng, V.S., Pei, J., Huang, JW., Lin, J.CW. (eds) Advances in Knowledge Discovery and Data Mining. PAKDD 2024. Lecture Notes in Computer Science(), vol 14650. Springer, Singapore. https://doi.org/10.1007/978-981-97-2266-2_2

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  • DOI: https://doi.org/10.1007/978-981-97-2266-2_2

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  • Publisher Name: Springer, Singapore

  • Print ISBN: 978-981-97-2265-5

  • Online ISBN: 978-981-97-2266-2

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