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We review the role of self-consistency in density functional theory. We apply a recent analysis to both Kohn-Sham and orbital-free DFT, as well as to Partition-DFT, which generalizes all aspects of standard DFT. In each case, the analysis…

Chemical Physics · Physics 2016-11-22 Adam Wasserman , Jonathan Nafziger , Kaili Jiang , Min-Cheol Kim , Eunji Sim , Kieron Burke

In this work, we present a rigorous accuracy analysis of the quantum Fourier transform (QFT), that identifies three natural sources of accuracy degeneracy: (i) discretization accuracy inherited from classical sampling theory, (ii) accuracy…

Quantum Physics · Physics 2025-02-18 Marina O. Lisnichenko , Oleg M. Kiselev

The Discrete Fourier Transform (DFT) underpins the solution to many inverse problems commonly possessing missing or un-measured frequency information. This incomplete coverage of Fourier space always produces systematic artefacts called…

Mathematical Physics · Physics 2016-11-15 Shekhar Chandra , Imants Svalbe , Jeanpierre Guedon , Andrew Kingston , Nicolas Normand

We study the problem of testing discrete distributions with a focus on the high probability regime. Specifically, given samples from one or more discrete distributions, a property $\mathcal{P}$, and parameters $0< \epsilon, \delta <1$, we…

Data Structures and Algorithms · Computer Science 2020-09-15 Ilias Diakonikolas , Themis Gouleakis , Daniel M. Kane , John Peebles , Eric Price

We study nonparametric estimation of the distribution function (DF) of a continuous random variable based on a ranked set sampling design using the exponentially tilted (ET) empirical likelihood method. We propose ET estimators of the DF…

Computation · Statistics 2015-06-23 Saeid Amiri , Mohammad Jafari Jozani , Reza Modarres

This work presents a new procedure to extract features of grey-level texture images based on the discrete Schroedinger transform. This is a non-linear transform where the image is mapped as the initial probability distribution of a wave…

Computer Vision and Pattern Recognition · Computer Science 2016-12-09 João B. Florindo , Odemir M. Bruno

Distributional reinforcement learning (DRL) enhances the understanding of the effects of the randomness in the environment by letting agents learn the distribution of a random return, rather than its expected value as in standard…

Optimization and Control · Mathematics 2024-03-26 Zifan Wang , Yulong Gao , Siyi Wang , Michael M. Zavlanos , Alessandro Abate , Karl H. Johansson

Density Functional Theory (DFT) is one of the most widely used methods for "ab initio" calculations of the structure of atoms, molecules, crystals, surfaces, and their interactions. Unfortunately, the customary introduction to DFT is often…

Physics Education · Physics 2010-12-07 Nathan Argaman , Guy Makov

In many processes, the variations in underlying characteristics can be approximated by noisy multi-periodic patterns. If large-scale patterns are superimposed by a noise with long-range correlations, the detection of multi-periodic patterns…

Quantitative Methods · Quantitative Biology 2019-12-09 V. R. Chechetkin , V. V. Lobzin

In this paper we explain how to use the Fast Fourier Transform (FFT) to solve partial differential equations (PDEs). We start by defining appropriate discrete domains in coordinate and frequency domains. Then describe the main limitation of…

Numerical Analysis · Mathematics 2025-07-31 Daniela Rodriguez-Lara , Ivan Alvarez-Rios , Francisco S. Guzman

We discuss several tests for whether a given set of independent and identically distributed (i.i.d.) draws does not come from a specified probability density function. The most commonly used are Kolmogorov-Smirnov tests, particularly…

Methodology · Statistics 2015-05-18 Mark Tygert

We determine the limiting empirical singular value distribution for random unitary matrices with Haar distribution and discrete Fourier transform (DFT) matrices when a random set of columns and rows is removed.

Functional Analysis · Mathematics 2010-03-05 Brendan Farrell

We study the problems of identity and closeness testing of $n$-dimensional product distributions. Prior works by Canonne, Diakonikolas, Kane and Stewart (COLT 2017) and Daskalakis and Pan (COLT 2017) have established tight sample complexity…

Data Structures and Algorithms · Computer Science 2021-05-27 Arnab Bhattacharyya , Sutanu Gayen , Saravanan Kandasamy , N. V. Vinodchandran

The Random Variable Transformation (RVT) method is a fundamental tool for determining the probability distribution function associated with a Random Variable (RV) Y=g(X), where X is a RV and g is a suitable transformation. In the usual…

Probability · Mathematics 2024-05-07 Fabrizio Masullo , Fabio Zanolin , Josep Bonet Avalos

The paper examines the Fractional Fourier Transform (FRFT) based technique as a tool for obtaining the probability density function and its derivatives, and mainly for fitting stochastic model with the fundamental probabilistic…

Methodology · Statistics 2022-05-06 A. H. Nzokem

The nonlinear Fourier transform has the potential to overcome limits on performance and achievable data rates which arise in modern optical fiber communication systems when nonlinear interference is treated as noise. The periodic nonlinear…

Signal Processing · Electrical Eng. & Systems 2020-12-24 Jan-Willem Goossens , Hartmut Hafermann , Yves Jaouën

Probability integral transforms (PITs) and empirical $p$-values are widely used to assess the calibration of predictive distributions. While exact PIT values are uniformly distributed under correct model specification, practical…

Methodology · Statistics 2026-05-18 Jakub Lis

This paper introduces a new tool for time-series analysis: the Sliding Window Discrete Fourier Transform (SWDFT). The SWDFT is especially useful for time-series with local- in-time periodic components. We define a 5-parameter model for…

Methodology · Statistics 2018-07-23 Lee F. Richardson , William F. Eddy

A consistent goodness-of-fit test for distributional regression is introduced. The test statistic is based on a process that traces the difference between a nonparametric and a semi-parametric estimate of the marginal distribution function…

Methodology · Statistics 2025-10-10 Gitte Kremling , Gerhard Dikta

Parameters of the nuclear density functional theory (DFT) models are usually adjusted to experimental data. As a result they carry certain theoretical error, which, as a consequence, carries out to the predicted quantities. In this work we…

Nuclear Theory · Physics 2015-06-22 Markus Kortelainen