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Machine learning models are increasingly used to predict material properties and accelerate atomistic simulations, but the reliability of their predictions depends on the representativeness of the training data. We present a scalable,…

Chemical Physics · Physics 2025-10-20 Daniel Willimetz , Lukáš Grajciar

Neural networks have been widely used as predictive models to fit data distribution, and they could be implemented through learning a collection of samples. In many applications, however, the given dataset may contain noisy samples or…

Neural and Evolutionary Computing · Computer Science 2017-05-30 Dianhui Wang , Ming Li

This paper addresses the deconvolution problem of estimating a square-integrable probability density from observations contaminated with additive measurement errors having a known density. The estimator begins with a density estimate of the…

Statistics Theory · Mathematics 2023-04-12 David Kent , David Ruppert

Nonparametric density estimation is of great importance when econometricians want to model the probabilistic or stochastic structure of a data set. This comprehensive review summarizes the most important theoretical aspects of kernel…

Methodology · Statistics 2012-12-13 Adriano Zanin Zambom , Ronaldo Dias

Estimating expected polynomials of density functions from samples is a basic problem with numerous applications in statistics and information theory. Although kernel density estimators are widely used in practice for such functional…

Information Theory · Computer Science 2017-02-13 Weihao Gao , Sewoong Oh , Pramod Viswanath

This work proposes a framework LGKDE that learns kernel density estimation for graphs. The key challenge in graph density estimation lies in effectively capturing both structural patterns and semantic variations while maintaining…

Machine Learning · Computer Science 2026-05-27 Xudong Wang , Ziheng Sun , Chris Ding , Jicong Fan

We present a new method for multiclass thresholding of a histogram which is based on the nonparametric Kernel Density (KD) estimation, where the unknown parameters of the KD estimate are defined using the Expectation-Maximization (EM)…

Image and Video Processing · Electrical Eng. & Systems 2022-02-11 S. Korneev , J. Gilles , I. Battiato

Kernel density estimators (KDEs) are ubiquitous tools for nonparametric estimation of probability density functions (PDFs), when data are obtained from unknown data generating processes. The KDEs that are typically available in software…

Computation · Statistics 2018-08-07 Andrew T. Jones , Hien D. Nguyen , Geoffrey J. McLachlan

We introduce \emph{topological density estimation} (TDE), in which the multimodal structure of a probability density function is topologically inferred and subsequently used to perform bandwidth selection for kernel density estimation. We…

Methodology · Statistics 2022-03-10 Steve Huntsman

Kernel density estimation (KDE) has become a popular method for visual analysis in various fields, such as financial risk forecasting, crime clustering, and traffic monitoring. KDE can identify high-density areas from discrete datasets.…

Databases · Computer Science 2025-01-14 Yu Shao , Peng Cheng , Xiang Lian , Lei Chen , Wangze Ni , Xuemin Lin , Chen Zhang , Liping Wang

Density estimation is a crucial component of many machine learning methods, and manifold learning in particular, where geometry is to be constructed from data alone. A significant practical limitation of the current density estimation…

Classical Analysis and ODEs · Mathematics 2016-01-06 Tyrus Berry , Timothy Sauer

Several disciplines, like the social sciences, epidemiology, sentiment analysis, or market research, are interested in knowing the distribution of the classes in a population rather than the individual labels of the members thereof.…

Machine Learning · Computer Science 2024-01-04 Alejandro Moreo , Pablo González , Juan José del Coz

We develop a nonparametric two-sample test for distributions supported on the cone of symmetric positive definite matrices. The procedure relies on the Wishart kernel density estimator (KDE) introduced by Belzile et al. (2025), whose…

Statistics Theory · Mathematics 2026-03-17 Frédéric Ouimet

Ordinary differential equation (ODE) is widely used in modeling biological and physical processes in science. In this article, we propose a new reproducing kernel-based approach for estimation and inference of ODE given noisy observations.…

Methodology · Statistics 2021-10-26 Xiaowu Dai , Lexin Li

The performance of kernel density estimators is usually studied via Taylor expansions and asymptotic approximation arguments, in which the bandwidth parameter tends to zero with increasing sample size. In contrast, this paper focusses…

Statistics Theory · Mathematics 2026-02-25 Nils Lid Hjort , Nikolai G. Ushakov

We consider density estimation under measurement error with the Smoothness-Penalized Deconvolution (SPeD) estimator. The estimator has a tuning parameter regulating the smoothness of the estimate, and proper choice of this parameter is…

Statistics Theory · Mathematics 2025-08-25 David Kent

In recent years, kernel density estimation has been exploited by computer scientists to model machine learning problems. The kernel density estimation based approaches are of interest due to the low time complexity of either O(n) or…

Machine Learning · Statistics 2007-10-16 Yen-Jen Oyang , Darby Tien-Hao Chang , Yu-Yen Ou , Hao-Geng Hung , Chih-Peng Wu , Chien-Yu Chen

This study proposes multivariate kernel density estimation by stagewise minimization algorithm based on $U$-divergence and a simple dictionary. The dictionary consists of an appropriate scalar bandwidth matrix and a part of the original…

Machine Learning · Statistics 2021-08-11 Kiheiji Nishida , Kanta Naito

We introduce a new approach for estimating the invariant density of a multidimensional diffusion when dealing with high-frequency observations blurred by independent noises. We consider the intermediate regime, where observations occur at…

Statistics Theory · Mathematics 2024-04-19 Raphaël Maillet , Grégoire Szymanski

Approximate query processing (AQP) is an interesting alternative for exact query processing. It is a tool for dealing with the huge data volumes where response time is more important than perfect accuracy (this is typically the case during…

Distributed, Parallel, and Cluster Computing · Computer Science 2015-05-11 Witold Andrzejewski , Artur Gramacki , Jarosław Gramacki