The necessary and sufficient conditions for existence of a generalized representer theorem are presented for learning Hilbert space-valued functions. Representer theorems involving explicit basis functions and Reproducing Kernels are a common occurrence in various machine learning algorithms like generalized least squares, support vector machines, Gaussian process regression and kernel based deep neural networks to name a few. Due to the more general structure of the underlying variational problems, the theory is also relevant to other application areas like optimal control, signal processing and decision making. We present the generalized representer as a unified view for supervised and semi-supervised learning methods, using the theory of linear operators and subspace valued maps. The implications of the theorem are presented with examples of multi input-multi output regression, kernel based deep neural networks, stochastic regression and sparsity learning problems as being special cases in this unified view.
We consider a general regularised interpolation problem for learning a parameter vector from data. The well known representer theorem says that under certain conditions on the regulariser there exists a solution in the linear span of the data points. This is at the core of kernel methods in machine learning as it makes the problem computationally tractable. Most literature deals only with sufficient conditions for representer theorems in Hilbert spaces. We prove necessary and sufficient conditions for the existence of representer theorems in reflexive Banach spaces and illustrate why in a sens…
We consider a general regularised interpolation problem for learning a parameter vector from data. The well known representer theorem says that under certain conditions on the regulariser there exists a solution in the linear span of the data points. This is the core of kernel methods in machine learning as it makes the problem computationally tractable. Necessary and sufficient conditions for differentiable regularisers on Hilbert spaces to admit a representer theorem have been proved. We extend those results to nondifferentiable regularisers on uniformly convex and uniformly smooth Banach sp…
We develop a variational framework to understand the properties of the functions learned by neural networks fit to data. We propose and study a family of continuous-domain linear inverse problems with total variation-like regularization in the Radon domain subject to data fitting constraints. We derive a representer theorem showing that finite-width, single-hidden layer neural networks are solutions to these inverse problems. We draw on many techniques from variational spline theory and so we propose the notion of polynomial ridge splines, which correspond to single-hidden layer neural network…
The standard approach for dealing with the ill-posedness of the training problem in machine learning and/or the reconstruction of a signal from a limited number of measurements is regularization. The method is applicable whenever the problem is formulated as an optimization task. The standard strategy consists in augmenting the original cost functional by an energy that penalizes solutions with undesirable behavior. The effect of regularization is very well understood when the penalty involves a Hilbertian norm. Another popular configuration is the use of an $\ell_1$-norm (or some variant ther…
Despite the fundamental nature of the inhomogeneous Poisson process in the theory and application of stochastic processes, and its attractive generalizations (e.g. Cox process), few tractable nonparametric modeling approaches of intensity functions exist, especially when observed points lie in a high-dimensional space. In this paper we develop a new, computationally tractable Reproducing Kernel Hilbert Space (RKHS) formulation for the inhomogeneous Poisson process. We model the square root of the intensity as an RKHS function. Whereas RKHS models used in supervised learning rely on the so-call…
Aix-Marseille Université（艾克斯-马赛大学）；Ecole Centrale de Lille（里尔中央理工学院）；Université de Lille（里尔大学）；INSA de Rouen（鲁昂国立应用科学学院）；Université de Rouen（鲁昂大学）；ENS Cachan（卡尚高等师范学院）
In this paper we consider the problems of supervised classification and regression in the case where attributes and labels are functions: a data is represented by a set of functions, and the label is also a function. We focus on the use of reproducing kernel Hilbert space theory to learn from such functional data. Basic concepts and properties of kernel-based learning are extended to include the estimation of function-valued functions. In this setting, the representer theorem is restated, a set of rigorously defined infinite-dimensional operator-valued kernels that can be valuably applied when…
Max Planck Institute for Intelligent Systems（马克斯·普朗克智能系统研究所）
A family of regularization functionals is said to admit a linear representer theorem if every member of the family admits minimizers that lie in a fixed finite dimensional subspace. A recent characterization states that a general class of regularization functionals with differentiable regularizer admits a linear representer theorem if and only if the regularization term is a non-decreasing function of the norm. In this report, we improve over such result by replacing the differentiability assumption with lower semi-continuity and deriving a proof that is independent of the dimensionality of th…
We introduce the anti-profile Support Vector Machine (apSVM) as a novel algorithm to address the anomaly classification problem, an extension of anomaly detection where the goal is to distinguish data samples from a number of anomalous and heterogeneous classes based on their pattern of deviation from a normal stable class. We show that under heterogeneity assumptions defined here that the apSVM can be solved as the dual of a standard SVM with an indirect kernel that measures similarity of anomalous samples through similarity to the stable normal class. We characterize this indirect kernel as …
LTCI, Télécom Paris, Institut Polytechnique de Paris（巴黎理工学院巴黎电信学院LTCI实验室）
This paper investigates a novel algorithmic approach to data representation based on kernel methods. Assuming that the observations lie in a Hilbert space X, the introduced Kernel Autoencoder (KAE) is the composition of mappings from vector-valued Reproducing Kernel Hilbert Spaces (vv-RKHSs) that minimizes the expected reconstruction error. Beyond a first extension of the autoencoding scheme to possibly infinite dimensional Hilbert spaces, KAE further allows to autoencode any kind of data by choosing X to be itself a RKHS. A theoretical analysis of the model is carried out, providing a general…
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…
This paper presents new results on Functional Analysis of Variance for fixed effect models with correlated Hilbert-valued Gaussian error components. The geometry of the Reproducing Kernel Hilbert Space (RKHS) of the error term is considered in the computation of the total sum of squares, the residual sum of squares, and the sum of squares due to the regression. Under suitable linear transformation of the correlated functional data, the distributional characteristics of these statistics, their moment generating and characteristic functions, are derived. Fixed effect linear hypothesis testing is…
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…
We study the estimation and prediction of functional autoregressive~(FAR) processes, a statistical tool for modeling functional time series data. Due to the infinite-dimensional nature of FAR processes, the existing literature addresses its inference via dimension reduction and theoretical results therein require the (unrealistic) assumption of fully observed functional time series. We propose an alternative inference framework based on Reproducing Kernel Hilbert Spaces~(RKHS). Specifically, a nuclear norm regularization method is proposed for estimating the transition operators of the FAR pro…
The representer theorem is one of the most important mathematical foundations for regularised learning and kernel methods. Classical formulations of the theorem state sufficient conditions under which a regularisation problem on a Hilbert space admits a solution in the subspace spanned by the representers of the data points. This turns the problem into an equivalent optimisation problem in a finite dimensional space, making it computationally tractable. Moreover, Banach space methods for learning have been receiving more and more attention. Considering the representer theorem in Banach spaces …
This paper presents a general vector-valued reproducing kernel Hilbert spaces (RKHS) framework for the problem of learning an unknown functional dependency between a structured input space and a structured output space. Our formulation encompasses both Vector-valued Manifold Regularization and Co-regularized Multi-view Learning, providing in particular a unifying framework linking these two important learning approaches. In the case of the least square loss function, we provide a closed form solution, which is obtained by solving a system of linear equations. In the case of Support Vector Mach…
LTCI, Télécom Paris, Institut Polytechnique de Paris（巴黎综合理工学院，巴黎电信学院，LTCI实验室）
Operator-Valued Kernels (OVKs) and associated vector-valued Reproducing Kernel Hilbert Spaces provide an elegant way to extend scalar kernel methods when the output space is a Hilbert space. Although primarily used in finite dimension for problems like multi-task regression, the ability of this framework to deal with infinite dimensional output spaces unlocks many more applications, such as functional regression, structured output prediction, and structured data representation. However, these sophisticated schemes crucially rely on the kernel trick in the output space, so that most of previous…
Learning Reconstructive Embeddings in Reproducing Kernel Hilbert Spaces via the Representer Theorem
Universidad Rey Juan Carlos（胡安卡洛斯国王大学）；Centro de Investigación for Data, Complex Networks and Cybersecurity Sciences, Universidad Rey Juan Carlos（胡安卡洛斯国王大学数据、复杂网络与网络安全科学研究中心）
This paper reviews the functional aspects of statistical learning theory. The main point under consideration is the nature of the hypothesis set when no prior information is available but data. Within this framework we first discuss about the hypothesis set: it is a vectorial space, it is a set of pointwise defined functions, and the evaluation functional on this set is a continuous mapping. Based on these principles an original theory is developed generalizing the notion of reproduction kernel Hilbert space to non hilbertian sets. Then it is shown that the hypothesis set of any learning machi…
Nagoya University（名古屋大学）；RIKEN（理化学研究所）；Kyushu University（九州大学）
Understanding nonlinear dynamical systems (NLDSs) is challenging in a variety of engineering and scientific fields. Dynamic mode decomposition (DMD), which is a numerical algorithm for the spectral analysis of Koopman operators, has been attracting attention as a way of obtaining global modal descriptions of NLDSs without requiring explicit prior knowledge. However, since existing DMD algorithms are in principle formulated based on the concatenation of scalar observables, it is not directly applicable to data with dependent structures among observables, which take, for example, the form of a s…
This paper provides some first steps in developing empirical process theory for functions taking values in a vector space. Our main results provide bounds on the entropy of classes of smooth functions taking values in a Hilbert space, by leveraging theory from differential calculus of vector-valued functions and fractal dimension theory of metric spaces. We demonstrate how these entropy bounds can be used to show the uniform law of large numbers and asymptotic equicontinuity of the function classes, and also apply it to statistical learning theory in which the output space is a Hilbert space. …
Many scientific studies collect data where the response and predictor variables are both functions of time, location, or some other covariate. Understanding the relationship between these functional variables is a common goal in these studies. Motivated from two real-life examples, we present in this paper a function-on-function regression model that can be used to analyze such kind of functional data. Our estimator of the 2D coefficient function is the optimizer of a form of penalized least squares where the penalty enforces a certain level of smoothness on the estimator. Our first result is …
Institute for Numerical Simulation, University of Bonn（数值模拟研究所，波恩大学）；Fraunhofer Institute for Algorithms and Scientific Computing SCAI（算法与科学计算弗劳恩霍夫研究所SCAI）
In Optimal Recovery, the task of learning a function from observational data is tackled deterministically by adopting a worst-case perspective tied to an explicit model assumption made on the functions to be learned. Working in the framework of Hilbert spaces, this article considers a model assumption based on approximability. It also incorporates observational inaccuracies modeled via additive errors bounded in $\ell_2$. Earlier works have demonstrated that regularization provide algorithms that are optimal in this situation, but did not fully identify the desired hyperparameter. This article…
Neural reproducing kernel Banach spaces and representer theorems for deep networks
Analysis Group - Delft Institute of Applied Mathematics, TU Delft, Netherlands；MaLGa - DIMA, University of Genoa, Italy；MaLGa - DIBRIS, University of Genoa, Italy \& CBMM, MIT \& IIT；RoMaDS - Department of Mathematics, University of Rome Tor Vergata, Italy
Featured Reproducing Kernel Banach Spaces for Learning and Neural Networks
Dept. of Computer Science and Artificial Intelligence, Andalusian Institute on Data Science and Computational Intelligence (DaSCI), University of Granada（计算机科学与人工智能系，数据科学与计算智能安达卢西亚研究所，格拉纳达大学）；ADIA Lab, Abu Dhabi, United Arab Emirates（阿布扎比分实验室，阿联酋）；Dpto. de Análisis Matemático, Facultad de Ciencias, Universidad de Granada（数学系，科学学院，格拉纳达大学）
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…
INRIA Paris（法国国家信息与自动化研究所巴黎中心）；ENS - Département d’Informatique de l’École Normale Supérieure（巴黎高等师范学院计算机科学系）；PSL Research University（巴黎文理研究大学）
Shape constraints such as positive semi-definiteness (PSD) for matrices or convexity for functions play a central role in many applications in machine learning and sciences, including metric learning, optimal transport, and economics. Yet, very few function models exist that enforce PSD-ness or convexity with good empirical performance and theoretical guarantees. In this paper, we introduce a kernel sum-of-squares model for functions that take values in the PSD cone, which extends kernel sums-of-squares models that were recently proposed to encode non-negative scalar functions. We provide a re…
Indian Institute of Technology, Palakkad（印度理工学院帕拉卡德分校）；Aix-Marseille University（艾克斯-马赛大学）
Traditionally, kernel methods rely on the representer theorem which states that the solution to a learning problem is obtained as a linear combination of the data mapped into the reproducing kernel Hilbert space (RKHS). While elegant from theoretical point of view, the theorem is prohibitive for algorithms' scalability to large datasets, and the interpretability of the learned function. In this paper, instead of using the traditional representer theorem, we propose to search for a solution in RKHS that has a pre-image decomposition in the original data space, where the elements don't necessari…
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）
Simon Fraser University（西蒙弗雷泽大学）；Concordia University（康考迪亚大学）
Accurate approximation of scalar-valued functions from sample points is a key task in computational science. Recently, machine learning with Deep Neural Networks (DNNs) has emerged as a promising tool for scientific computing, with impressive results achieved on problems where the dimension of the data or problem domain is large. This work broadens this perspective, focusing on approximating functions that are Hilbert-valued, i.e. take values in a separable, but typically infinite-dimensional, Hilbert space. This arises in science and engineering problems, in particular those involving solutio…
Vector-Valued Distributional Reinforcement Learning Policy Evaluation: A Hilbert Space Embedding Approach
Department of Statistics, University of Illinois Urbana-Champaign（统计系，伊利诺伊大学厄巴纳-香槟分校）；Department of Bioinformatics and Biostatistics, University of Louisville（生物信息学与生物统计学系，路易斯维尔大学）
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…
This paper presents a framework for computing random operator-valued feature maps for operator-valued positive definite kernels. This is a generalization of the random Fourier features for scalar-valued kernels to the operator-valued case. Our general setting is that of operator-valued kernels corresponding to RKHS of functions with values in a Hilbert space. We show that in general, for a given kernel, there are potentially infinitely many random feature maps, which can be bounded or unbounded. Most importantly, given a kernel, we present a general, closed form formula for computing a corresp…
