operator-valued kernel
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Learning with Operator-valued Kernels in Reproducing Kernel Krein Spaces
Operator-valued kernels have shown promise in supervised learning problems with functional inputs and functional outputs. The crucial (and possibly restrictive) assumption of positive definiteness of operator-valued kernels has been instrumental in developing efficient algorithms. In this work, we consider operator-valued kernels which might not be necessarily positive definite. To tackle the indefiniteness of operator-valued kernels, we harness the machinery of Reproducing Kernel Krein Spaces (RKKS) of function-valued functions. A representer theorem is illustrated which yields a suitable loss stabilization problem for supervised learning with function-valued inputs and outputs. Analysis of generalization properties of the proposed framework is given. An iterative Operator based Minimum Residual (OpMINRES) algorithm is proposed for solving the loss stabilization problem. Experiments with indefinite operator-valued kernels on synthetic and real data sets demonstrate the utility of the proposed approach.
Function-on-Function Bayesian Optimization
Huang, Jingru, Xu, Haijie, Jiang, Manrui, Zhang, Chen
Bayesian optimization (BO) has been widely used to optimize expensive and gradient-free objective functions across various domains. However, existing BO methods have not addressed the objective where both inputs and outputs are functions, which increasingly arise in complex systems as advanced sensing technologies. To fill this gap, we propose a novel function-on-function Bayesian optimization (FFBO) framework. Specifically, we first introduce a function-on-function Gaussian process (FFGP) model with a separable operator-valued kernel to capture the correlations between function-valued inputs and outputs. Compared to existing Gaussian process models, FFGP is modeled directly in the function space. Based on FFGP, we define a scalar upper confidence bound (UCB) acquisition function using a weighted operator-based scalarization strategy. Then, a scalable functional gradient ascent algorithm (FGA) is developed to efficiently identify the optimal function-valued input. We further analyze the theoretical properties of the proposed method. Extensive experiments on synthetic and real-world data demonstrate the superior performance of FFBO over existing approaches.
A Kernel-based Stochastic Approximation Framework for Nonlinear Operator Learning
We develop a stochastic approximation framework for learning nonlinear operators between infinite-dimensional spaces utilizing general Mercer operator-valued kernels. Our framework encompasses two key classes: (i) compact kernels, which admit discrete spectral decompositions, and (ii) diagonal kernels of the form $K(x,x')=k(x,x')T$, where $k$ is a scalar-valued kernel and $T$ is a positive operator on the output space. This broad setting induces expressive vector-valued reproducing kernel Hilbert spaces (RKHSs) that generalize the classical $K=kI$ paradigm, thereby enabling rich structural modeling with rigorous theoretical guarantees. To address target operators lying outside the RKHS, we introduce vector-valued interpolation spaces to precisely quantify misspecification error. Within this framework, we establish dimension-free polynomial convergence rates, demonstrating that nonlinear operator learning can overcome the curse of dimensionality. The use of general operator-valued kernels further allows us to derive rates for intrinsically nonlinear operator learning, going beyond the linear-type behavior inherent in diagonal constructions of $K=kI$. Importantly, this framework accommodates a wide range of operator learning tasks, ranging from integral operators such as Fredholm operators to architectures based on encoder-decoder representations. Moreover, we validate its effectiveness through numerical experiments on the two-dimensional Navier-Stokes equations.
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Learning Spatio-Temporal Dynamics via Operator-Valued RKHS and Kernel Koopman Methods
We introduce a unified framework for learning the spatio-temporal dynamics of vector valued functions by combining operator valued reproducing kernel Hilbert spaces (OV-RKHS) with kernel based Koopman operator methods. The approach enables nonparametric and data driven estimation of complex time evolving vector fields while preserving both spatial and temporal structure. We establish representer theorems for time dependent OV-RKHS interpolation, derive Sobolev type approximation bounds for smooth vector fields, and provide spectral convergence guarantees for kernel Koopman operator approximations. This framework supports efficient reduced order modeling and long term prediction of high dimensional nonlinear systems, offering theoretically grounded tools for forecasting, control, and uncertainty quantification in spatio-temporal machine learning.
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Towards Quantum Operator-Valued Kernels
Kadri, Hachem, Tomasi, Joachim, Hashimoto, Yuka, Anthoine, Sandrine
Quantum kernels are reproducing kernel functions built using quantum-mechanical principles and are studied with the aim of outperforming their classical counterparts. The enthusiasm for quantum kernel machines has been tempered by recent studies that have suggested that quantum kernels could not offer speed-ups when learning on classical data. However, most of the research in this area has been devoted to scalar-valued kernels in standard classification or regression settings for which classical kernel methods are efficient and effective, leaving very little room for improvement with quantum kernels. This position paper argues that quantum kernel research should focus on more expressive kernel classes. We build upon recent advances in operator-valued kernels, and propose guidelines for investigating quantum kernels. This should help to design a new generation of quantum kernel machines and fully explore their potentials.
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Review for NeurIPS paper: Learning with Operator-valued Kernels in Reproducing Kernel Krein Spaces
Summary and Contributions: Post-rebuttal comments Thank you for the comments. I am happy with the response and would recommend including the paragraph (stabilization vs ERM) from the rebuttal into the final version of the paper. It might be interesting as an open problem for future work. Operator valued kernels provide a theoretical framework for modelling learning problems that map functions to functions. A potential shortcoming of this framework is the fact that kernels need to be positive definite.
Learning with Operator-valued Kernels in Reproducing Kernel Krein Spaces
Operator-valued kernels have shown promise in supervised learning problems with functional inputs and functional outputs. The crucial (and possibly restrictive) assumption of positive definiteness of operator-valued kernels has been instrumental in developing efficient algorithms. In this work, we consider operator-valued kernels which might not be necessarily positive definite. To tackle the indefiniteness of operator-valued kernels, we harness the machinery of Reproducing Kernel Krein Spaces (RKKS) of function-valued functions. A representer theorem is illustrated which yields a suitable loss stabilization problem for supervised learning with function-valued inputs and outputs.
Multiple Operator valued Kernel Learning
Positive definite operator-valued kernels generalize the well-known notion of reproducing kernels, and are naturally adapted to multi-output learning situations. This paper addresses the problem of learning a finite linear combination of infinite-dimensional operator-valued kernels which are suitable for extending functional data analysis methods to nonlinear contexts.
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