Kernel methods for detecting coherent structures in dynamical data

We illustrate relationships between classical kernel-based dimensionality reduction techniques and eigendecompositions of empirical estimates of reproducing kernel Hilbert space (RKHS) operators associated with dynamical systems. In particular, we show that kernel canonical correlation analysis (CCA) can be interpreted in terms of kernel transfer operators and that it can be obtained by optimizing the variational approach for Markov processes (VAMP) score. As a result, we show that coherent sets of particle trajectories can be computed by kernel CCA. We demonstrate the efficiency of this approach with several examples, namely the well-known Bickley jet, ocean drifter data, and a molecular dynamics problem with a time-dependent potential. Finally, we propose a straightforward generalization of dynamic mode decomposition (DMD) called coherent mode decomposition (CMD). Our results provide a generic machine learning approach to the computation of coherent sets with an objective score that can be used for cross-validation and the comparison of different methods

A Comparison of Relaxations of Multiset Cannonical Correlation Analysis and Applications

Canonical correlation analysis is a statistical technique that is used to find relations between two sets of variables. An important extension in pattern analysis is to consider more than two sets of variables. This problem can be expressed as a quadratically constrained quadratic program (QCQP), commonly referred to Multi-set Canonical Correlation Analysis (MCCA). This is a non-convex problem and so greedy algorithms converge to local optima without any guarantees on global optimality. In this paper, we show that despite being highly structured, finding the optimal solution is NP-Hard. This motivates our relaxation of the QCQP to a semidefinite program (SDP). The SDP is convex, can be solved reasonably efficiently and comes with both absolute and output-sensitive approximation quality. In addition to theoretical guarantees, we do an extensive comparison of the QCQP method and the SDP relaxation on a variety of synthetic and real world data. Finally, we present two useful extensions: we incorporate kernel methods and computing multiple sets of canonical vectors