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Machine learning is used to approximate density functionals. For the model problem of the kinetic energy of non-interacting fermions in 1d, mean absolute errors below 1 kcal/mol on test densities similar to the training set are reached with…

Computational Physics · Physics 2015-06-03 John C. Snyder , Matthias Rupp , Katja Hansen , Klaus-Robert Müller , Kieron Burke

We introduce a sharpness functional for probabilistic models that quantifies sharpness as an intrinsic property of the probability distribution. The measure is derived based on a rank-based concentration principle that tracks upward…

Methodology · Statistics 2026-04-03 Pekka Syrjänen

Probabilistic programming has become a standard practice to model stochastic events and learn about the behavior of nature in different scientific contexts, ranging from Genetics and Ecology to Linguistics and Psychology. However, domain…

Programming Languages · Computer Science 2025-07-10 Guilherme Espada , Alcides Fonseca

A method to approximate continuous multi-dimensional probability density functions (PDFs) using their projections and correlations is described. The method is particularly useful for event classification when estimates of systematic…

Data Analysis, Statistics and Probability · Physics 2009-10-31 Dean Karlen

Machine learning has now become an integral part of research and innovation. The field of machine learning density functional theory has continuously expanded over the years while making several noticeable advances. We briefly discuss the…

Chemical Physics · Physics 2021-12-13 Bhupalee Kalita , Kieron Burke

This article describes a method for using optimization to derive efficient independent transition functions for Markov chain Monte Carlo simulations. Our interest is in sampling from a posterior density $\pi(x)$ for problems in which the…

Computation · Statistics 2022-06-03 Dean S. Oliver

Conditional density estimation is a general framework for solving various problems in machine learning. Among existing methods, non-parametric and/or kernel-based methods are often difficult to use on large datasets, while methods based on…

Machine Learning · Statistics 2018-06-06 Hiroaki Sasaki , Aapo Hyvärinen

We generalise the distribution semantics underpinning probabilistic logic programming by distilling its essential concept, the separation of a free random component and a deterministic part. This abstracts the core ideas beyond logic…

Artificial Intelligence · Computer Science 2024-05-17 Felix Weitkämper

In quantitative finance, it is often necessary to analyze the distribution of the sum of specific functions of observed values at discrete points of an underlying process. Examples include the probability density function, the hedging…

Statistical Finance · Quantitative Finance 2019-08-15 Jong Jun Park , Kyungsub Lee

The empirical probability density function for the conditional distribution of the true value of Poisson distribution parameter on one measurement is constructed by computer experiment. The analysis of the obtained distributions confirms…

Data Analysis, Statistics and Probability · Physics 2009-11-10 S. I. Bityukov , V. A. Medvedev , V. V. Smirnova , Yu. V. Zernii

The goal of program synthesis is to automatically generate programs in a particular language from corresponding specifications, e.g. input-output behavior. Many current approaches achieve impressive results after training on randomly…

Machine Learning · Computer Science 2020-01-01 Richard Shin , Neel Kant , Kavi Gupta , Christopher Bender , Brandon Trabucco , Rishabh Singh , Dawn Song

Despite widespread success in language understanding and generation, large language models (LLMs) exhibit unclear and often inconsistent behavior when faced with tasks that require probabilistic reasoning. In this work, we present the first…

Computation and Language · Computer Science 2025-09-29 Mobina Pournemat , Keivan Rezaei , Gaurang Sriramanan , Arman Zarei , Jiaxiang Fu , Yang Wang , Hamid Eghbalzadeh , Soheil Feizi

Language modeling, a central task in natural language processing, involves estimating a probability distribution over strings. In most cases, the estimated distribution sums to 1 over all finite strings. However, in some pathological cases,…

Computation and Language · Computer Science 2023-08-23 Li Du , Lucas Torroba Hennigen , Tiago Pimentel , Clara Meister , Jason Eisner , Ryan Cotterell

In the context of functional data analysis, probability density functions as non-negative functions are characterized by specific properties of scale invariance and relative scale which enable to represent them with the unit integral…

Numerical Analysis · Mathematics 2019-12-19 Jitka Machalova , Renata Talska , Karel Hron , Ales Gaba

We introduce a nonparametric way to estimate the global probability density function for a random persistence diagram. Precisely, a kernel density function centered at a given persistence diagram and a given bandwidth is constructed. Our…

Statistics Theory · Mathematics 2018-03-14 Joshua Lee Mike , Vasileios Maroulas

Deep Neural Networks (DNNs) have performed admirably in classification tasks. However, the characterization of their classification uncertainties, required for certain applications, has been lacking. In this work, we investigate the issue…

Machine Learning · Computer Science 2023-11-28 Yu Pan , Kwo-Sen Kuo , Michael L. Rilee , Hongfeng Yu

We propose a method to efficiently integrate truncated probability densities. The method uses Markov chain Monte Carlo method to sample from a probability density matching the function being integrated. The required normalisation or…

Computation · Statistics 2013-12-10 A. John Arul , Kannan Iyer

This paper presents an extensive survey of regular distributions in natural and social sciences. The survey includes studies from a wide scope of academic disciplines, in order to create an inventory of the different mathematical functions…

Physics and Society · Physics 2015-07-14 L. Benguigui , M. Marinov

Under ideal conditions, the probability density function (PDF) of a random variable, such as a sensor measurement, would be well known and amenable to computation and communication tasks. However, this is often not the case, so the user…

Statistics Theory · Mathematics 2022-07-29 Shane Lubold , Clark N. Taylor

The estimation of the ratio of two density probability functions is of great interest in many statistics fields, including causal inference. In this study, we develop an ensemble estimator of density ratios with a novel loss function based…

Machine Learning · Statistics 2024-08-12 Wencheng Wu , David Benkeser