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The meshless/meshfree radial basis function (RBF) method is a powerful technique for interpolating scattered data. But, solving large RBF interpolation problems without fast summation methods is computationally expensive. For RBF…

Numerical Analysis · Mathematics 2016-06-27 Wei Zhao , Martin Stoll

A fundamental problem in statistics and learning theory is to test properties of distributions. We show that quantum computers can solve such problems with significant speed-ups. In particular, we give fast quantum algorithms for testing…

Quantum Physics · Physics 2019-02-05 András Gilyén , Tongyang Li

Quasi-2D Coulomb systems are of fundamental importance and have attracted much attention in many areas nowadays. Their reduced symmetry gives rise to interesting collective behaviors, but also brings great challenges for particle-based…

Numerical Analysis · Mathematics 2025-02-05 Zecheng Gan , Xuanzhao Gao , Jiuyang Liang , Zhenli Xu

Bayesian neural networks and deep ensemble methods have been proposed for uncertainty quantification; however, they are computationally intensive and require large storage. By utilizing a single deterministic model, we can solve the above…

Machine Learning · Computer Science 2025-08-04 Yaxin Ma , Benjamin Colburn , Jose C. Principe

The estimation of cumulative distribution functions (CDF) is an important learning task with a great variety of downstream applications, such as risk assessments in predictions and decision making. In this paper, we study functional…

Machine Learning · Computer Science 2024-03-11 Qian Zhang , Anuran Makur , Kamyar Azizzadenesheli

Time-dependent density functional theory (TDDFT) is a standard approach for calculating optical excitations of molecules and solids, while ensemble DFT (EDFT) is a promising alternative under development. We introduce ensemble TDDFT…

Chemical Physics · Physics 2026-05-22 Kimberly J. Daas , Steven Crisostomo , Kieron Burke

Fitting a theoretical model to experimental data in a Bayesian manner using Markov chain Monte Carlo typically requires one to evaluate the model thousands (or millions) of times. When the model is a slow-to-compute physics simulation,…

Machine Learning · Statistics 2022-08-25 Steven Stetzler , Michael Grosskopf , Earl Lawrence

Generative models which use explicit density modeling (e.g., variational autoencoders, flow-based generative models) involve finding a mapping from a known distribution, e.g. Gaussian, to the unknown input distribution. This often requires…

Machine Learning · Computer Science 2021-12-02 Zhichun Huang , Rudrasis Chakraborty , Vikas Singh

Conditional density estimation (CDE) is the task of estimating the probability of an event conditioned on some inputs. A neural network (NN) can also be used to compute the output distribution for continuous-domain, which can be viewed as…

Machine Learning · Computer Science 2021-12-30 Bing Chen , Mazharul Islam , Jisuo Gao , Lin Wang

Large classes of materials systems in physics and engineering are governed by magnetic and electrostatic interactions. Continuum or mesoscale descriptions of such systems can be cast in terms of integral equations, whose direct…

Computational Physics · Physics 2016-08-15 Xikai Jiang , Jiyuan Li , Xujun Zhao , Jian Qin , Dmitry Karpeev , Juan Hernandez-Ortiz , Juan de Pablo , Olle Heinonen

A reduced-bias nonparametric estimator of the cumulative distribution function (CDF) and the survival function is proposed using infinite-order kernels. Fourier transform theory on generalized functions is utilized to obtain the improved…

Methodology · Statistics 2009-03-18 Arthur Berg , Dimitris N. Politis

A widely accepted way to assess the performance of iterative black-box optimizers is to analyze their empirical cumulative distribution function (ECDF) of pre-defined quality targets achieved not later than a given runtime. In this work, we…

Optimization and Control · Mathematics 2024-09-24 Manuel López-Ibáñez , Diederick Vermetten , Johann Dreo , Carola Doerr

We present a fast, adaptive multiresolution algorithm for applying integral operators with a wide class of radially symmetric kernels in dimensions one, two and three. This algorithm is made efficient by the use of separated representations…

Numerical Analysis · Mathematics 2007-08-14 Gregory Beylkin , Vani Cheruvu , Fernando Pérez

Kernel density estimation on a finite interval poses an outstanding challenge because of the well-recognized bias at the boundaries of the interval. Motivated by an application in cancer research, we consider a boundary constraint linking…

Statistics Theory · Mathematics 2020-12-01 Matthew J. Colbrook , Zdravko I. Botev , Karsten Kuritz , Shev MacNamara

Representing, comparing, and measuring the distance between probability distributions is a key task in computational statistics and machine learning. The choice of representation and the associated distance determine properties of the…

Machine Learning · Statistics 2026-02-26 Masha Naslidnyk

We show that the cumulative distribution function corresponding to a kernel density estimator with optimal bandwidth lies outside any confidence interval, around the empirical distribution function, with probability tending to 1 as the…

Statistics Theory · Mathematics 2026-04-17 Nils Lid Hjort , Stephen G. Walker

Given additional distributional information in the form of moment restrictions, kernel density and distribution function estimators with implied generalised empirical likelihood probabilities as weights achieve a reduction in variance due…

Methodology · Statistics 2019-10-08 Vitaliy Oryshchenko , Richard J. Smith

In contrast to current state-of-the-art methods, such as NSFP [25], which employ deep implicit neural functions for modeling scene flow, we present a novel approach that utilizes classical kernel representations. This representation enables…

Computer Vision and Pattern Recognition · Computer Science 2024-03-12 Xueqian Li , Simon Lucey

Predicting counterfactual distributions in complex dynamical systems is essential for scientific modeling and decision-making in domains such as public health and medicine. However, existing methods often rely on point estimates or purely…

Machine Learning · Computer Science 2025-09-15 Wenhao Mu , Zhi Cao , Mehmed Uludag , Alexander Rodríguez

We give a general framework for inference in spanning tree models. We propose unified algorithms for the important cases of first-order expectations and second-order expectations in edge-factored, non-projective spanning-tree models. Our…

Computation and Language · Computer Science 2021-03-26 Ran Zmigrod , Tim Vieira , Ryan Cotterell