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Kernel ridge regression is used to approximate the kinetic energy of non-interacting fermions in a one-dimensional box as a functional of their density. The properties of different kernels and methods of cross-validation are explored, and…

This work describes a novel simulation approach that combines machine learning and device modelling simulations. The device simulations are based on the quantum mechanical non-equilibrium Greens function (NEGF) approach and the machine…

Computational Engineering, Finance, and Science · Computer Science 2023-09-19 Preslav Aleksandrov , Ali Rezaei , Nikolas Xeni , Tapas Dutta , Asen Asenov , Vihar Georgiev

Accurate approximations to density functionals have recently been obtained via machine learning (ML). By applying ML to a simple function of one variable without any random sampling, we extract the qualitative dependence of errors on…

Computational Physics · Physics 2015-01-29 Kevin Vu , John Snyder , Li Li , Matthias Rupp , Brandon F. Chen , Tarek Khelif , Klaus-Robert Müller , Kieron Burke

We present a sequential version of the kernelized Stein discrepancy goodness-of-fit test, which allows for conducting goodness-of-fit tests for unnormalized densities that are continuously monitored and adaptively stopped. That is, the…

Machine Learning · Statistics 2025-04-18 Diego Martinez-Taboada , Aaditya Ramdas

Kernel regression is an essential and ubiquitous tool for non-parametric data analysis, particularly popular among time series and spatial data. However, the central operation which is performed many times, evaluating a kernel on the data…

Machine Learning · Computer Science 2017-06-01 Yan Zheng , Jeff M. Phillips

Many recent theoretical works on \emph{meta-learning} aim to achieve guarantees in leveraging similar representational structures from related tasks towards simplifying a target task. The main aim of theoretical guarantees on the subject is…

Machine Learning · Statistics 2025-05-21 Dimitri Meunier , Zhu Li , Arthur Gretton , Samory Kpotufe

In the last decade, a considerable research effort has been devoted to developing adaptive algorithms based on kernel functions. One of the main features of these algorithms is that they form a family of universal approximation techniques,…

Signal Processing · Electrical Eng. & Systems 2018-08-21 A. Flores , R. C. de Lamare

Density estimation is a fundamental task in statistics and machine learning applications. Kernel density estimation is a powerful tool for non-parametric density estimation in low dimensions; however, its performance is poor in higher…

Machine Learning · Computer Science 2022-08-08 Joseph A. Gallego , Fabio A. González

Traditionally, spline or kernel approaches in combination with parametric estimation are used to infer the linear coefficient (fixed effects) in a partially linear mixed-effects model for repeated measurements. Using machine learning…

Methodology · Statistics 2023-04-03 Corinne Emmenegger , Peter Bühlmann

We study the problem of estimating the effect function for a continuous treatment, which maps each treatment value to a population-averaged outcome. A central challenge in this setting is confounding: treatment assignment often depends on…

Methodology · Statistics 2026-05-29 Seok-Jin Kim , Kaizheng Wang

A method for correcting for detector smearing effects using machine learning techniques is presented. Compared to the standard approaches the method can use more than one reconstructed variable to infere the value of the unsmeared quantity…

Data Analysis, Statistics and Probability · Physics 2017-12-06 Alexander Glazov

Support Vector Machines (SVMs) are well-established Machine Learning (ML) algorithms. They rely on the fact that i) linear learning can be formalized as a well-posed optimization problem; ii) non-linear learning can be brought into linear…

Artificial Intelligence · Computer Science 2016-08-16 Christian Gagné , Marc Schoenauer , Michèle Sebag , Marco Tomassini

Kernel-based testing has revolutionized the field of non-parametric tests through the embedding of distributions in an RKHS. This strategy has proven to be powerful and flexible, yet its applicability has been limited to the standard…

Methodology · Statistics 2024-11-28 Anthony Ozier-Lafontaine , Polina Arsenteva , Franck Picard , Bertrand Michel

In statistical learning, identifying underlying structures of true target functions based on observed data plays a crucial role to facilitate subsequent modeling and analysis. Unlike most of those existing methods that focus on some…

Machine Learning · Statistics 2021-05-04 Xin He , Yeheng Ge , Xingdong Feng

The linear growth rate is commonly defined through a simple deterministic relation between the velocity divergence and the matter overdensity in the linear regime. We introduce a formalism that extends this to a nonlinear, stochastic…

Cosmology and Nongalactic Astrophysics · Physics 2015-06-23 Elise Jennings , David Jennings

Score-based kernelised Stein discrepancy (KSD) tests have emerged as a powerful tool for the goodness of fit tests, especially in high dimensions; however, the test performance may depend on the choice of kernels in an underlying…

Machine Learning · Statistics 2022-10-13 Moritz Weckbecker , Wenkai Xu , Gesine Reinert

We consider the task of robust non-linear regression in the presence of both inlier noise and outliers. Assuming that the unknown non-linear function belongs to a Reproducing Kernel Hilbert Space (RKHS), our goal is to estimate the set of…

Machine Learning · Computer Science 2017-08-02 George Papageorgiou , Pantelis Bouboulis , Sergios Theodoridis

A formal likelihood ratio hypothesis test for the validity of a parametric regression function is proposed, using a large-dimensional, nonparametric double cone alternative. For example, the test against a constant function uses the…

Methodology · Statistics 2014-06-30 Bodhisattva Sen , Mary Meyer

Deep neural networks enable learning directly on the data without the domain knowledge needed to construct a feature set. This approach has been extremely successful in almost all machine learning applications. We propose a new framework…

Signal Processing · Electrical Eng. & Systems 2019-07-17 John M. O'Toole , Geraldine B. Boylan

Optimal experimental design seeks to determine the most informative allocation of experiments to infer an unknown statistical quantity. In this work, we investigate the optimal design of experiments for {\em estimation of linear functionals…

Artificial Intelligence · Computer Science 2023-01-18 Mojmír Mutný , Andreas Krause