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In this paper we investigate the performance of different machine learning potentials (MLPs) in predicting key thermodynamic properties of water using RPBE+D3. Specifically, we scrutinize kernel-based regression and high-dimensional neural…

Representation learning is an important step in the machine learning pipeline. Given the current biological sequencing data volume, learning an explicit representation is prohibitive due to the dimensionality of the resulting feature…

Machine Learning · Computer Science 2023-04-04 Sarwan Ali , Usama Sardar , Murray Patterson , Imdad Ullah Khan

This paper studies convergence of empirical risks in reproducing kernel Hilbert spaces (RKHS). A conventional assumption in the existing research is that empirical training data do not contain any noise but this may not be satisfied in some…

Optimization and Control · Mathematics 2020-05-19 Shaoyan Guo , Huifu Xu , Liwei Zhang

Kernel-based methods enjoy powerful generalization capabilities in handling a variety of learning tasks. When such methods are provided with sufficient training data, broadly-applicable classes of nonlinear functions can be approximated…

Machine Learning · Statistics 2017-12-29 Fatemeh Sheikholeslami , Dimitris Berberidis , Georgios B. Giannakis

Multiscale Models are known to be successful in uncovering and analyzing the structures in data at different resolutions. In the current work we propose a feature driven Reproducing Kernel Hilbert space (RKHS), for which the associated…

Machine Learning · Computer Science 2022-08-24 Prashant Shekhar , Abani Patra

The application machine learning (ML) algorithms to turbulence modeling has shown promise over the last few years, but their application has been restricted to eddy viscosity based closure approaches. In this article we discuss rationale…

Fluid Dynamics · Physics 2021-05-31 J. P. Panda , H. V. Warrior

Reproducing kernel Hilbert spaces (RKHSs) are key elements of many non-parametric tools successfully used in signal processing, statistics, and machine learning. In this work, we aim to address three issues of the classical RKHS based…

Signal Processing · Electrical Eng. & Systems 2019-05-09 Maria Peifer , Luiz. F. O. Chamon , Santiago Paternain , Alejandro Ribeiro

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…

Machine Learning · Statistics 2026-01-13 Jia-Qi Yang , Lei Shi

We present a novel framework for variable selection in Fr\'echet regression with responses in general metric spaces, a setting increasingly relevant for analyzing non-Euclidean data such as probability distributions and covariance matrices.…

Statistics Theory · Mathematics 2025-09-18 Haoyi Yang , Satarupa Bhattacharjee , Lingzhou Xue , Bing Li

This paper derives error bounds for regression in continuous time over subsets of certain types of Riemannian manifolds.The regression problem is typically driven by a nonlinear evolution law taking values on the manifold, and it is cast as…

Dynamical Systems · Mathematics 2022-09-09 Nathan Powell , Jia Guo , Sai Tej Parachuri , John Burns , Boone Estes , Andrew Kurdila

Kernel methods are one of the mainstays of machine learning, but the problem of kernel learning remains challenging, with only a few heuristics and very little theory. This is of particular importance in methods based on estimation of…

Machine Learning · Statistics 2016-06-03 Seth Flaxman , Dino Sejdinovic , John P. Cunningham , Sarah Filippi

Kernel Adaptive Filtering (KAF) are mathematically principled methods which search for a function in a Reproducing Kernel Hilbert Space. While they work well for tasks such as time series prediction and system identification they are…

Machine Learning · Computer Science 2023-12-20 Benjamin Colburn , Jose C. Principe , Luis G. Sanchez Giraldo

We analyse the convergence of sampling algorithms for functions in reproducing kernel Hilbert spaces (RKHS). To this end, we discuss approximation properties of kernel regression under minimalistic assumptions on both the kernel and the…

Machine Learning · Statistics 2025-04-21 Armin Iske

We propose a novel approach for pixel classification in hyperspectral images, leveraging on both the spatial and spectral information in the data. The introduced method relies on a recently proposed framework for learning on distributions…

Computer Vision and Pattern Recognition · Computer Science 2016-05-31 Gianni Franchi , Jesus Angulo , Dino Sejdinovic

Statistical machine learning plays an important role in modern statistics and computer science. One main goal of statistical machine learning is to provide universally consistent algorithms, i.e., the estimator converges in probability or…

Machine Learning · Statistics 2016-04-18 Andreas Christmann , Florian Dumpert , Dao-Hong Xiang

Nonlocal operators with integral kernels have become a popular tool for designing solution maps between function spaces, due to their efficiency in representing long-range dependence and the attractive feature of being resolution-invariant.…

Machine Learning · Statistics 2022-05-24 Fei Lu , Qingci An , Yue Yu

In this paper, we establish a novel connection between the metric entropy growth and the embeddability of function spaces into reproducing kernel Hilbert/Banach spaces. Metric entropy characterizes the information complexity of function…

Numerical Analysis · Mathematics 2025-08-28 Yiping Lu , Daozhe Lin , Qiang Du

Neural-network models have been employed to predict the instantaneous flow close to the wall in a viscoelastic turbulent channel flow. Numerical simulation data at the wall is utilized to predict the instantaneous velocity-fluctuations and…

Fluid Dynamics · Physics 2025-07-22 Arivazhagan G. Balasubramanian , Ricardo Vinuesa , Outi Tammisola

We present an efficient approach for generating highly accurate molecular potential energy surfaces (PESs) using self-correcting, kernel ridge regression (KRR) based machine learning (ML). We introduce structure-based sampling to…

Chemical Physics · Physics 2018-08-20 Pavlo O. Dral , Alec Owens , Sergei N. Yurchenko , Walter Thiel

We address data-driven learning of the infinitesimal generator of stochastic diffusion processes, essential for understanding numerical simulations of natural and physical systems. The unbounded nature of the generator poses significant…

Machine Learning · Statistics 2024-05-22 Vladimir R. Kostic , Karim Lounici , Helene Halconruy , Timothee Devergne , Massimiliano Pontil
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