针对有限含噪数据下的耗散 Hamilton 动力学学习，提出基于 Helmholtz 分解、专用 RKHS 核与随机 Fourier 特征的方法，并在两个系统仿真中显著提升预测精度。
摘要：
本文提出了一种从有限且含噪的数据集中学习耗散 Hamilton 动力学的新方法。该方法利用 Helmholtz 分解，将向量场学习为一个辛向量场与一个耗散向量场之和。这两个向量场通过两个再生核 Hilbert 空间进行学习，这些空间分别由辛核和无旋核定义，并且这些核经过专门设计以强制满足奇对称性。随机 Fourier 特征被用于近似这些核，以降低优化问题的维数。在两个耗散 Hamilton 系统的仿真中验证了该方法的性能，结果表明，与使用 Gaussian 可分核的方法相比，该方法显著提高了预测精度。
英文摘要：
This paper presents a new method for learning dissipative Hamiltonian dynamics from a limited and noisy dataset. The method uses the Helmholtz decomposition to learn a vector field as the sum of a symplectic and a dissipative vector field. The two vector fields are learned using two reproducing kernel Hilbert spaces, defined by a symplectic and a curl-free kernel, where the kernels are specialized to enforce odd symmetry. Random Fourier features are used to approximate the kernels to reduce the dimension of the optimization problem. The performance of the method is validated in simulations for two dissipative Hamiltonian systems, and it is shown that the method improves predictive accuracy significantly compared to a method where a Gaussian separable kernel is used.
Sun Yat-sen University（中山大学）；Syracuse University（雪城大学）
To help understand various reproducing kernels used in applied sciences, we investigate the inclusion relation of two reproducing kernel Hilbert spaces. Characterizations in terms of feature maps of the corresponding reproducing kernels are established. A full table of inclusion relations among widely-used translation invariant kernels is given. Concrete examples for Hilbert-Schmidt kernels are presented as well. We also discuss the preservation of such a relation under various operations of reproducing kernels. Finally, we briefly discuss the special inclusion with a norm equivalence.
Institute for Stochastics and Applications（随机与应用研究所）；Faculty 8: Mathematics and Physics（数学与物理学院（第8学院））；University of Stuttgart（斯图加特大学）
Given an uncountable, compact metric space, we show that there exists no reproducing kernel Hilbert space that contains the space of all continuous functions on this compact space.
Universita’ degli Studi di Genova（热那亚大学）；University of Stuttgart（斯图加特大学）；Massachusetts Institute of Technology（麻省理工学院）；Istituto Italiano di Tecnologia（意大利理工学院）
We study reproducing kernel Hilbert spaces (RKHS) on a Riemannian manifold. In particular, we discuss under which condition Sobolev spaces are RKHS and characterize their reproducing kernels. Further, we introduce and discuss a class of smoother RKHS that we call diffusion spaces. We illustrate the general results with a number of detailed examples.
We present a general framework to learn functions in tensor product reproducing kernel Hilbert spaces (TP-RKHSs). The methodology is based on a novel representer theorem suitable for existing as well as new spectral penalties for tensors. When the functions in the TP-RKHS are defined on the Cartesian product of finite discrete sets, in particular, our main problem formulation admits as a special case existing tensor completion problems. Other special cases include transfer learning with multimodal side information and multilinear multitask learning. For the latter case, our kernel-based view i…
School of Informatics（信息学院）；University of Edinburgh（爱丁堡大学）；FU Berlin（柏林自由大学）
We present an embedding of stochastic optimal control problems, of the so called path integral form, into reproducing kernel Hilbert spaces. Using consistent, sample based estimates of the embedding leads to a model free, non-parametric approach for calculation of an approximate solution to the control problem. This formulation admits a decomposition of the problem into an invariant and task dependent component. Consequently, we make much more efficient use of the sample data compared to previous sample based approaches in this domain, e.g., by allowing sample re-use across tasks. Numerical ex…
Max Planck Institute for Intelligent Systems（马克斯·普朗克智能系统研究所）；Institute for Statistical Mathematics（统计数理研究所）；ETH Zürich（苏黎世联邦理工学院）
We describe a method to perform functional operations on probability distributions of random variables. The method uses reproducing kernel Hilbert space representations of probability distributions, and it is applicable to all operations which can be applied to points drawn from the respective distributions. We refer to our approach as {\em kernel probabilistic programming}. We illustrate it on synthetic data, and show how it can be used for nonparametric structural equation models, with an application to causal inference.
Kernel methods, being supported by a well-developed theory and coming with efficient algorithms, are among the most popular and successful machine learning techniques. From a mathematical point of view, these methods rest on the concept of kernels and function spaces generated by kernels, so called reproducing kernel Hilbert spaces. Motivated by recent developments of learning approaches in the context of interacting particle systems, we investigate kernel methods acting on data with many measurement variables. We show the rigorous mean field limit of kernels and provide a detailed analysis of…
Kernel based methods have shown effective performance in many remote sensing classification tasks. However their performance significantly depend on its hyper-parameters. The conventional technique to estimate the parameter comes with high computational complexity. Thus, the objective of this letter is to propose an fast and efficient method to select the bandwidth parameter of the Gaussian kernel in the kernel based classification methods. The proposed method is developed based on the operators in the reproducing kernel Hilbert space and it is evaluated on Support vector machines and PerTurbo…
RIKEN Center for Advanced Intelligence Project（理化学研究所先进智能项目中心）
In this work, we present formulations for regularized Kullback-Leibler and Rényi divergences via the Alpha Log-Determinant (Log-Det) divergences between positive Hilbert-Schmidt operators on Hilbert spaces in two different settings, namely (i) covariance operators and Gaussian measures defined on reproducing kernel Hilbert spaces (RKHS); and (ii) Gaussian processes with squared integrable sample paths. For characteristic kernels, the first setting leads to divergences between arbitrary Borel probability measures on a complete, separable metric space. We show that the Alpha Log-Det divergences …
Kernel methods have been among the most popular techniques in machine learning, where learning tasks are solved using the property of reproducing kernel Hilbert space (RKHS). In this paper, we propose a novel data analysis framework with reproducing kernel Hilbert $C^*$-module (RKHM), which is another generalization of RKHS than vector-valued RKHS (vv-RKHS). Analysis with RKHMs enables us to deal with structures among variables more explicitly than vv-RKHS. We show the theoretical validity for the construction of orthonormal systems in Hilbert $C^*$-modules, and derive concrete procedures for …
We propose a novel adaptive learning algorithm based on iterative orthogonal projections in the Cartesian product of multiple reproducing kernel Hilbert spaces (RKHSs). The task is estimating/tracking nonlinear functions which are supposed to contain multiple components such as (i) linear and nonlinear components, (ii) high- and low- frequency components etc. In this case, the use of multiple RKHSs permits a compact representation of multicomponent functions. The proposed algorithm is where two different methods of the author meet: multikernel adaptive filtering and the algorithm of hyperplane…
McGill University（麦吉尔大学）；Mila - Quebec Artificial Intelligence Institute（魁北克人工智能研究所（Mila））；Université du Québec à Montréal（魁北克大学蒙特利尔分校）；Facebook AI Research（Facebook人工智能研究）；CIFAR AI chair（CIFAR人工智能主席职位）；DeepMind；Université de Montréal（蒙特利尔大学）
We propose a general framework for policy representation for reinforcement learning tasks. This framework involves finding a low-dimensional embedding of the policy on a reproducing kernel Hilbert space (RKHS). The usage of RKHS based methods allows us to derive strong theoretical guarantees on the expected return of the reconstructed policy. Such guarantees are typically lacking in black-box models, but are very desirable in tasks requiring stability. We conduct several experiments on classic RL domains. The results confirm that the policies can be robustly embedded in a low-dimensional space…
This paper presents a stochastic behavior analysis of a kernel-based stochastic restricted-gradient descent method. The restricted gradient gives a steepest ascent direction within the so-called dictionary subspace. The analysis provides the transient and steady state performance in the mean squared error criterion. It also includes stability conditions in the mean and mean-square sense. The present study is based on the analysis of the kernel normalized least mean square (KNLMS) algorithm initially proposed by Chen et al. Simulation results validate the analysis.
The role of kernels is central to machine learning. Motivated by the importance of power-law distributions in statistical modeling, in this paper, we propose the notion of power-law kernels to investigate power-laws in learning problem. We propose two power-law kernels by generalizing Gaussian and Laplacian kernels. This generalization is based on distributions, arising out of maximization of a generalized information measure known as nonextensive entropy that is very well studied in statistical mechanics. We prove that the proposed kernels are positive definite, and provide some insights rega…
In this paper, we study the problem of learning dynamical properties of ensemble systems from their collective behaviors using statistical approaches in reproducing kernel Hilbert space (RKHS). Specifically, we provide a framework to identify and cluster multiple ensemble systems through computing the maximum mean discrepancy (MMD) between their aggregated measurements in an RKHS, without any prior knowledge of the system dynamics of ensembles. Then, leveraging the gradient flow of the newly proposed notion of aggregated Markov parameters, we present a systematic framework to recognize and ide…
Seoul National University（首尔国立大学）；Korea University（高丽大学）
Variable selection is essential in high-dimensional data analysis. Although various variable selection methods have been developed, most rely on the linear model assumption. This article proposes a nonparametric variable selection method for the large-margin classifier defined by reproducing the kernel Hilbert space (RKHS). we propose a gradient-based representation of the large-margin classifier and then regularize the gradient functions by the group-lasso penalty to obtain sparse gradients that naturally lead to the variable selection. The groupwise-majorization-decent algorithm (GMD, Yang a…
NTT Network Service Systems Laboratories, NTT Corporation（NTT网络服务系统实验室，NTT公司）；Graduate School of Science and Technology, Keio University（庆应义塾大学科学与技术研究生院）；Center for Data Science, Ehime University（爱媛大学数据科学中心）；Center for Advanced Intelligence Project, RIKEN（理化学研究所高级智能项目中心）；Faculty of Science and Technology, Keio University（庆应义塾大学科学与技术学部）
Kernel methods have been among the most popular techniques in machine learning, where learning tasks are solved using the property of reproducing kernel Hilbert space (RKHS). In this paper, we propose a novel data analysis framework with reproducing kernel Hilbert $C^*$-module (RKHM) and kernel mean embedding (KME) in RKHM. Since RKHM contains richer information than RKHS or vector-valued RKHS (vvRKHS), analysis with RKHM enables us to capture and extract structural properties in such as functional data. We show a branch of theories for RKHM to apply to data analysis, including the representer…
In supervised learning using kernel methods, we often encounter a large-scale finite-sum minimization over a reproducing kernel Hilbert space (RKHS). Large-scale finite-sum problems can be solved using efficient variants of Newton method, where the Hessian is approximated via sub-samples of data. In RKHS, however, the dependence of the penalty function to kernel makes standard sub-sampling approaches inapplicable, since the gram matrix is not readily available in a low-rank form. In this paper, we observe that for this class of problems, one can naturally use kernel approximation to speed up t…
This is a tutorial and survey paper on kernels, kernel methods, and related fields. We start with reviewing the history of kernels in functional analysis and machine learning. Then, Mercer kernel, Hilbert and Banach spaces, Reproducing Kernel Hilbert Space (RKHS), Mercer's theorem and its proof, frequently used kernels, kernel construction from distance metric, important classes of kernels (including bounded, integrally positive definite, universal, stationary, and characteristic kernels), kernel centering and normalization, and eigenfunctions are explained in detail. Then, we introduce types …
Zalando Research（扎兰多研究院）；Max Planck Institute for Intelligent Systems（马克斯·普朗克智能系统研究所）
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 com…
The problem of establishing out-of-sample bounds for the values of an unkonwn ground-truth function is considered. Kernels and their associated Hilbert spaces are the main formalism employed herein along with an observational model where outputs are corrupted by bounded measurement noise. The noise can originate from any compactly supported distribution and no independence assumptions are made on the available data. In this setting, we show how computing tight, finite-sample uncertainty bounds amounts to solving parametric quadratically constrained linear programs. Next, properties of our appr…
Development of metrics for structural data-generating mechanisms is fundamental in machine learning and the related fields. In this paper, we give a general framework to construct metrics on random nonlinear dynamical systems, defined with the Perron-Frobenius operators in vector-valued reproducing kernel Hilbert spaces (vvRKHSs). We employ vvRKHSs to design mathematically manageable metrics and also to introduce operator-valued kernels, which enables us to handle randomness in systems. Our metric provides an extension of the existing metrics for deterministic systems, and gives a specificatio…
This paper studies the construction of a refinement kernel for a given operator-valued reproducing kernel such that the vector-valued reproducing kernel Hilbert space of the refinement kernel contains that of the given one as a subspace. The study is motivated from the need of updating the current operator-valued reproducing kernel in multi-task learning when underfitting or overfitting occurs. Numerical simulations confirm that the established refinement kernel method is able to meet this need. Various characterizations are provided based on feature maps and vector-valued integral representat…
A Behavioral Framework for Data-Driven Modeling of Nonlinear Systems in Vector-Valued Reproducing Kernel Hilbert Spaces
Carl R. Woese Institute for Genomic Biology and the Coordinated Science Laboratory, University of Illinois Urbana-Champaign（卡尔·R·沃塞基因组生物学研究所和协调科学实验室，伊利诺伊大学厄巴纳-香槟分校）；Department of Electrical and Computer Engineering and the Coordinated Science Laboratory, University of Illinois Urbana-Champaign（电气与计算机工程系和协调科学实验室，伊利诺伊大学厄巴纳-香槟分校）
Istituto Italiano di Tecnologia（意大利理工学院）；University of Novi Sad（诺维萨德大学）；University College London（伦敦大学学院）；University of Genova（热那亚大学）；Massachusetts Institute of Technology（麻省理工学院）
We study a class of dynamical systems modelled as Markov chains that admit an invariant distribution via the corresponding transfer, or Koopman, operator. While data-driven algorithms to reconstruct such operators are well known, their relationship with statistical learning is largely unexplored. We formalize a framework to learn the Koopman operator from finite data trajectories of the dynamical system. We consider the restriction of this operator to a reproducing kernel Hilbert space and introduce a notion of risk, from which different estimators naturally arise. We link the risk with the es…
