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Koopmans spectral functionals are a class of orbital-density-dependent functionals designed to accurately predict spectroscopic properties. They do so markedly better than their Kohn-Sham density-functional theory counterparts, as…

Chemical Physics · Physics 2023-04-21 Yannick Schubert , Nicola Marzari , Edward Linscott

A mathematical model for variable selection in functional regression models with scalar response is proposed. By "variable selection" we mean a procedure to replace the whole trajectories of the functional explanatory variables with their…

Methodology · Statistics 2017-04-21 José R. Berrendero , Beatriz Bueno-Larraz , Antonio Cuevas

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…

Machine Learning · Statistics 2022-05-10 Keisuke Fujii , Yoshinobu Kawahara

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.…

Machine Learning · Computer Science 2016-08-22 Ha Quang Minh

We consider multi-agent stochastic optimization problems over reproducing kernel Hilbert spaces (RKHS). In this setting, a network of interconnected agents aims to learn decision functions, i.e., nonlinear statistical models, that are…

Optimization and Control · Mathematics 2018-07-04 Alec Koppel , Santiago Paternain , Cedric Richard , Alejandro Ribeiro

This paper presents a close form solution in Reproducing Kernel Hilbert Space (RKHS) for the famed Wiener filter, which we called the functional Wiener filter(FWF). Instead of using the Wiener-Hopf factorization theory, here we define a new…

Signal Processing · Electrical Eng. & Systems 2023-01-03 Benjamin Colburn , Luis G. Sanchez Giraldo , Jose C. Principe

Reproducing kernel Hilbert spaces (RKHSs) are key spaces for machine learning that are becoming popular also for linear system identification. In particular, the so-called stable RKHSs can be used to model absolutely summable impulse…

Machine Learning · Computer Science 2020-05-07 Mauro Bisiacco , Gianluigi Pillonetto

Regularized kernel methods such as support vector machines (SVM) and support vector regression (SVR) constitute a broad and flexible class of methods which are theoretically well investigated and commonly used in nonparametric…

Methodology · Statistics 2013-05-07 Robert Hable

Kernel-based methods offer a powerful and flexible mathematical framework for addressing histopolation problems. In histopolation, the available input data does not consist of pointwise function samples but of averages taken over intervals…

Numerical Analysis · Mathematics 2026-01-14 Ludovico Bruni Bruno , Giacomo Cappellazzo , Wolfgang Erb , Mohammad Karimnejad Esfahani

Koopmans-compliant functionals have been shown to provide accurate spectral properties for molecular systems; this accuracy is driven by the generalized linearization condition imposed on each charged excitation - i.e. on changing the…

Materials Science · Physics 2018-05-30 Ngoc Linh Nguyen , Nicola Colonna , Andrea Ferretti , Nicola Marzari

A model for the prediction of functional time series is introduced, where observations are assumed to be continuous random functions. We model the dependence of the data with a nonstandard autoregressive structure, motivated in terms of the…

Methodology · Statistics 2018-07-03 Beatriz Bueno-Larraz , Johannes Klepsch

We propose kernel distributionally robust optimization (Kernel DRO) using insights from the robust optimization theory and functional analysis. Our method uses reproducing kernel Hilbert spaces (RKHS) to construct a wide range of convex…

Optimization and Control · Mathematics 2021-06-28 Jia-Jie Zhu , Wittawat Jitkrittum , Moritz Diehl , Bernhard Schölkopf

This paper addresses the covariate shift problem in the context of nonparametric regression within reproducing kernel Hilbert spaces (RKHSs). Covariate shift arises in supervised learning when the input distributions of the training and…

Machine Learning · Statistics 2025-05-21 Andrea Della Vecchia , Arnaud Mavakala Watusadisi , Ernesto De Vito , Lorenzo Rosasco

In this paper, we present a unified approach to function approximation in reproducing kernel Hilbert spaces (RKHS) that establishes a previously unrecognized optimality property for several well-known function approximation techniques, such…

Statistics Theory · Mathematics 2013-01-08 Richard J. Barton

The X-ray transform is one of the most fundamental integral operators in image processing and reconstruction. In this article, we revisit the formalism of the X-ray transform by considering it as an operator between Reproducing Kernel…

Functional Analysis · Mathematics 2024-06-26 Ho Yun , Victor M. Panaretos

We present a unified theoretical and computational framework for constructing reproducing kernels tailored to transport equations and adapted to Koopman eigenfunctions of nonlinear dynamical systems. These eigenfunctions satisfy a…

Numerical Analysis · Mathematics 2026-03-10 Boumediene Hamzi , Houman Owhadi , Umesh Vaidya

In this paper, we study regression problems over a separable Hilbert space with the square loss, covering non-parametric regression over a reproducing kernel Hilbert space. We investigate a class of spectral/regularized algorithms,…

Machine Learning · Statistics 2022-07-18 Junhong Lin , Alessandro Rudi , Lorenzo Rosasco , Volkan Cevher

Koopman operator is a composition operator defined for a dynamical system described by nonlinear differential or difference equation. Although the original system is nonlinear and evolves on a finite-dimensional state space, the Koopman…

Systems and Control · Computer Science 2018-05-08 Yoshihiko Susuki , Igor Mezic , Fredrik Raak , Takashi Hikihara

This manuscript presents an algorithm for obtaining an approximation of a nonlinear high order control affine dynamical system. Controlled trajectories of the system are leveraged as the central unit of information via embedding them in…

Optimization and Control · Mathematics 2026-01-23 Moad Abudia , Tejasvi Channagiri , Joel A. Rosenfeld , Rushikesh Kamalapurkar

Variable selection is central to high-dimensional data analysis, and various algorithms have been developed. Ideally, a variable selection algorithm shall be flexible, scalable, and with theoretical guarantee, yet most existing algorithms…

Machine Learning · Statistics 2021-02-04 Xin He , Junhui Wang , Shaogao Lv