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Molecular Dynamics Optimizer

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Book cover Evolutionary Multi-Criterion Optimization (EMO 2007)

Part of the book series: Lecture Notes in Computer Science ((LNTCS,volume 4403))

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Abstract

Molecular system possesses two main characteristics that seem to be applicable for the contrary goals of proximity and diversity in multiobjective optimization, namely the converging pressure in potential fields as dictated by the Maxwell-Boltzmann distribution and the inherent drift to a homogenous and uniform equilibrium with maximum entropy, even without any prior knowledge on the geometry and state of the enclosure. Inspired by this association, this paper explores the notion of exploiting molecular motion to solve multiobjective problems. By adapting the algorithmic structure of molecular dynamics, which essentially represents a technique for the computer simulation of molecular motion, a molecular system that is relevant for multiobjective optimization is proposed, known as molecular dynamics optimizer (MDO). The performance of MDO was subsequently compared with other conventional multiobjective optimizers, specifically EA and PSO, and the experimental results demonstrated that MDO is indeed a viable and practical approach for multiobjective optimization.

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References

  1. Fay, J.A.: Molecular Thermodynamics. Addison Wesley, Reading (1965)

    Google Scholar 

  2. Kita, H., Yabumoto, Y., Mori, N., Nishikawa, Y.: Multi-objective optimization by means of the thermodynamical genetic algorithm optimization. In: Ebeling, W., Rechenberg, I., Voigt, H.-M., Schwefel, H.-P. (eds.) Parallel Problem Solving from Nature - PPSN IV. LNCS, vol. 1141, pp. 504–512. Springer, Heidelberg (1996)

    Chapter  Google Scholar 

  3. Cui, X., Li, M., Fang, T.: Study of population diversity of multiobjective evolutionary algorithm based on immune and entropy principles. In: Congress on Evolutionary Computation, No. 2, pp. 1316–1321 (2001)

    Google Scholar 

  4. Sobieski, J.S., Laba, K., Kincaid, R.: Bell-curved based evolutionary optimization algorithms. In: 7th IAA/USAF/NASA/ISSMO Symp. on Multidisciplinary Analysis and Optimization, pp. 2083–2096 (1998)

    Google Scholar 

  5. Farhang-Mehr, A., Azarm, S.: Entropy-based multi-objective genetic algorithm for design optimization. Structural and Multidisciplinary Optimization 24(5), 351–361 (2002)

    Article  Google Scholar 

  6. Li, X., Zou, X.F., Kang, L.S., Michalewicz, Z.: A new dynamical evolutionary algorithm based on statistical mechanics. Journal of Computer Science and Technology 18(3), 361–368 (2003)

    Article  MATH  Google Scholar 

  7. Prugel-Bennett, A., Shapiro, J.: An analysis of genetic algorithms using statistical mechanics. Physical Review Letter 72, 305–1309 (1994)

    Article  Google Scholar 

  8. Allen, M.P.: Introduction to Molecular Dynamics Simulation, Lecture Notes in Computational Soft Matter: From Synthetic Polymers to Proteins, Vol. In: From Synthetic Polymers to Proteins. Lecture Notes in Computational Soft Matter, vol. 23, pp. 1–28 (2004)

    Google Scholar 

  9. Frenkel, D., Smit, B.: Understanding Molecular Simulation: From Algorithms to Applications. Academic Press, London (1996)

    MATH  Google Scholar 

  10. Ercolessi, F.: A molecular dynamics primer (1997), http://www.fisica.uniud.it/ercolessi/md/md.pdf

  11. Hu, X.H., Shi, Y.H., Eberhart, R.: Recent advances in particle swarm. In: Congress on Evolutionary Computation, vol. 1, pp. 90–97 (2004)

    Google Scholar 

  12. Mario, V.A., Coello, C.A.C., Onésimo, H.L.: Asymptotic Convergence of some Metaheuristics used for Multiobjetive Optimization. In: Wright, A.H., Vose, M.D., De Jong, K.A., Schmitt, L.M. (eds.) FOGA 2005. LNCS, vol. 3469, pp. 95–111. Springer, Heidelberg (2005)

    Google Scholar 

  13. Deb, K.: Multi-objective Optimization Using Evolutionary Algorithms. John Wiley & Sons, New York (2001)

    MATH  Google Scholar 

  14. Zitzler, E., Deb, K., Thiele, L.: Comparison of multiobjective evolutionary algorithms: empirical results. Evolutionary Computation 8(2), 173–195 (2000)

    Article  Google Scholar 

  15. Veldhuizen, D.A.V., Lamont, G.B.: Multiobjective evolutionary algorithms: Analyzing the state-of-the-arts. Evolutionary Computation 8(2), 125–147 (2000)

    Article  Google Scholar 

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Shigeru Obayashi Kalyanmoy Deb Carlo Poloni Tomoyuki Hiroyasu Tadahiko Murata

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© 2007 Springer Berlin Heidelberg

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Chiam, S.C., Tan, K.C., Mamun, A.A. (2007). Molecular Dynamics Optimizer. In: Obayashi, S., Deb, K., Poloni, C., Hiroyasu, T., Murata, T. (eds) Evolutionary Multi-Criterion Optimization. EMO 2007. Lecture Notes in Computer Science, vol 4403. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-540-70928-2_25

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  • DOI: https://doi.org/10.1007/978-3-540-70928-2_25

  • Publisher Name: Springer, Berlin, Heidelberg

  • Print ISBN: 978-3-540-70927-5

  • Online ISBN: 978-3-540-70928-2

  • eBook Packages: Computer ScienceComputer Science (R0)

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