Maximum margin clustering for state decomposition of metastable systems

  • Authors:
  • Hao Wu

  • Affiliations:
  • Department of Mathematics and Computer Science, Free University of Berlin, Berlin, Germany

  • Venue:
  • IWANN'13 Proceedings of the 12th international conference on Artificial Neural Networks: advances in computational intelligence - Volume Part I
  • Year:
  • 2013

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Abstract

When studying a metastable dynamical system, a prime concern is how to decompose the state space into a set of metastable states. However, the metastable state decomposition based on simulation or experimental data is still a challenge. The most popular and simplest approach is geometric clustering, which was developed based on the classical clustering technique but only works for simple diffusion processes. Recently, the kinetic clustering approach based on state space discretization and transition probability estimation has attracted many attentions for it is applicable to more general systems, but the choice of discretization policy is a difficult task. In this paper, a new decomposition method, called maximum margin metastable clustering, is proposed, which converts the problem of metastable state decomposition into a unsupervised learning problem use the large margin technique to search for the optimal decomposition without state space discretization. Some simulation examples illustrate the effectiveness of the proposed method.