Eigendecompositions of Transfer Operators in Reproducing Kernel Hilbert Spaces

Transfer operators such as the Perron--Frobenius or Koopman operator play an important role in the global analysis of complex dynamical systems. The eigenfunctions of these operators can be used to detect metastable sets, to project the dynamics onto the dominant slow processes, or to separate superimposed signals. We extend transfer operator theory to reproducing kernel Hilbert spaces and show that these operators are related to Hilbert space representations of conditional distributions, known as conditional mean embeddings in the machine learning community. Moreover, numerical methods to compute empirical estimates of these embeddings are akin to data-driven methods for the approximation of transfer operators such as extended dynamic mode decomposition and its variants. One main benefit of the presented kernel-based approaches is that these methods can be applied to any domain where a similarity measure given by a kernel is available. We illustrate the results with the aid of guiding examples and highlight potential applications in molecular dynamics as well as video and text data analysis

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

Baxter operators for arbitrary spin

We construct Baxter operators for the homogeneous closed $\mathrm{XXX}$ spin chain with the quantum space carrying infinite or finite dimensional $s\ell_2$ representations. All algebraic relations of Baxter operators and transfer matrices are deduced uniformly from Yang-Baxter relations of the local building blocks of these operators. This results in a systematic and very transparent approach where the cases of finite and infinite dimensional representations are treated in analogy. Simple relations between the Baxter operators of both cases are obtained. We represent the quantum spaces by polynomials and build the operators from elementary differentiation and multiplication operators. We present compact explicit formulae for the action of Baxter operators on polynomials.Comment: 37 pages LaTex, 7 figures, version for publicatio

Feature Selection Using Regularization in Approximate Linear Programs for Markov Decision Processes

Approximate dynamic programming has been used successfully in a large variety of domains, but it relies on a small set of provided approximation features to calculate solutions reliably. Large and rich sets of features can cause existing algorithms to overfit because of a limited number of samples. We address this shortcoming using $L_1$ regularization in approximate linear programming. Because the proposed method can automatically select the appropriate richness of features, its performance does not degrade with an increasing number of features. These results rely on new and stronger sampling bounds for regularized approximate linear programs. We also propose a computationally efficient homotopy method. The empirical evaluation of the approach shows that the proposed method performs well on simple MDPs and standard benchmark problems.Comment: Technical report corresponding to the ICML2010 submission of the same nam

Elastic-Net Regularization in Learning Theory

Within the framework of statistical learning theory we analyze in detail the so-called elastic-net regularization scheme proposed by Zou and Hastie for the selection of groups of correlated variables. To investigate on the statistical properties of this scheme and in particular on its consistency properties, we set up a suitable mathematical framework. Our setting is random-design regression where we allow the response variable to be vector-valued and we consider prediction functions which are linear combination of elements ({\em features}) in an infinite-dimensional dictionary. Under the assumption that the regression function admits a sparse representation on the dictionary, we prove that there exists a particular ``{\em elastic-net representation}'' of the regression function such that, if the number of data increases, the elastic-net estimator is consistent not only for prediction but also for variable/feature selection. Our results include finite-sample bounds and an adaptive scheme to select the regularization parameter. Moreover, using convex analysis tools, we derive an iterative thresholding algorithm for computing the elastic-net solution which is different from the optimization procedure originally proposed by Zou and HastieComment: 32 pages, 3 figure