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ISOKANN: Invariant subspaces of Koopman operators learned by a neural network.

Robert Julian RabbenSourav RayMarcus Weber
Published in: The Journal of chemical physics (2020)
The problem of determining the rate of rare events in dynamical systems is quite well-known but still difficult to solve. Recent attempts to overcome this problem exploit the fact that dynamic systems can be represented by a linear operator, such as the Koopman operator. Mathematically, the rare event problem comes down to the difficulty in finding invariant subspaces of these Koopman operators K. In this article, we describe a method to learn basis functions of invariant subspaces using an artificial neural network.
Keyphrases
  • neural network
  • molecular dynamics