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Many real objects are modeled as discrete sets of points, such as corners or other salient features. For our main applications in chemistry, points represent atomic centers in a molecule or a solid material. We study the problem of…

Computational Geometry · Computer Science 2026-01-01 Daniel Widdowson , Vitaliy Kurlin

Discrepancy measures between probability distributions, often termed statistical distances, are ubiquitous in probability theory, statistics and machine learning. To combat the curse of dimensionality when estimating these distances from…

Statistics Theory · Mathematics 2021-12-21 Sloan Nietert , Ziv Goldfeld , Kengo Kato

Dataset distillation aims to synthesize a compact subset of the original data, enabling models trained on it to achieve performance comparable to those trained on the original large dataset. Existing distribution-matching methods are…

Computer Vision and Pattern Recognition · Computer Science 2025-12-11 Xuhui Li , Zhengquan Luo , Zihui Cui , Zhiqiang Xu

Data depth has been applied as a nonparametric measurement for ranking multivariate samples. In this paper, we focus on homogeneity tests to assess whether two multivariate samples are from the same distribution. There are many data…

Statistics Theory · Mathematics 2023-06-09 Yiting Chen , Wei Lin , Xiaoping Shi

Accurate approximation of probability measures is essential in numerical applications. This paper explores the quantization of probability measures using the maximum mean discrepancy (MMD) distance as a guiding metric. We first investigate…

Optimization and Control · Mathematics 2025-03-18 Zahra Mehraban , Alois Pichler

In statistics on manifolds, the notion of the mean of a probability distribution becomes more involved than in a linear space. Several location statistics have been proposed, which reduce to the ordinary mean in Euclidean space. A…

Statistics Theory · Mathematics 2024-11-05 Till Düsberg , Benjamin Eltzner

Confidence intervals are a popular way to visualize and analyze data distributions. Unlike p-values, they can convey information both about statistical significance as well as effect size. However, very little work exists on applying…

Applications · Statistics 2017-01-23 Jussi Korpela , Emilia Oikarinen , Kai Puolamäki , Antti Ukkonen

The merit of projecting data onto linear subspaces is well known from, e.g., dimension reduction. One key aspect of subspace projections, the maximum preservation of variance (principal component analysis), has been thoroughly researched…

Machine Learning · Computer Science 2022-09-27 Erik Thordsen , Erich Schubert

The density ratio of two probability distributions is one of the fundamental tools in mathematical and computational statistics and machine learning, and it has a variety of known applications. Therefore, density ratio estimation from…

Machine Learning · Statistics 2024-06-28 Masanari Kimura , Howard Bondell

The ability to represent and compare machine learning models is crucial in order to quantify subtle model changes, evaluate generative models, and gather insights on neural network architectures. Existing techniques for comparing data…

Inferring and comparing complex, multivariable probability density functions is fundamental to problems in several fields, including probabilistic learning, network theory, and data analysis. Classification and prediction are the two faces…

Information Theory · Computer Science 2017-03-30 David J. Galas , T. Gregory Dewey , James Kunert-Graf , Nikita A. Sakhanenko

Data-dependent metrics are powerful tools for learning the underlying structure of high-dimensional data. This article develops and analyzes a data-dependent metric known as diffusion state distance (DSD), which compares points using a…

Machine Learning · Statistics 2020-03-10 Lenore Cowen , Kapil Devkota , Xiaozhe Hu , James M. Murphy , Kaiyi Wu

Random probabilities are a key component to many nonparametric methods in Statistics and Machine Learning. To quantify comparisons between different laws of random probabilities several works are starting to use the elegant Wasserstein over…

Statistics Theory · Mathematics 2024-05-27 Marta Catalano , Hugo Lavenant

Euclidean embeddings of data are fundamentally limited in their ability to capture latent semantic structures, which need not conform to Euclidean spatial assumptions. Here we consider an alternative, which embeds data as discrete…

Machine Learning · Computer Science 2019-05-10 Charlie Frogner , Farzaneh Mirzazadeh , Justin Solomon

Two semimetrics on probability distributions are proposed, given as the sum of differences of expectations of analytic functions evaluated at spatial or frequency locations (i.e, features). The features are chosen so as to maximize the…

Machine Learning · Statistics 2016-10-31 Wittawat Jitkrittum , Zoltan Szabo , Kacper Chwialkowski , Arthur Gretton

The pseudo-marginal algorithm is a popular variant of the Metropolis--Hastings scheme which allows us to sample asymptotically from a target probability density $\pi$, when we are only able to estimate an unnormalized version of $\pi$…

Computation · Statistics 2017-07-20 George Deligiannidis , Arnaud Doucet , Michael K. Pitt

Data uniformity is a concept associated with several semantic data characteristics such as lack of features, correlation and sample bias. This article introduces a novel measure to assess data uniformity and detect uniform pointsets on…

Computational Geometry · Computer Science 2020-04-14 Panagiotis Sidiropoulos

The Wasserstein distance is a distance between two probability distributions and has recently gained increasing popularity in statistics and machine learning, owing to its attractive properties. One important approach to extending this…

Methodology · Statistics 2022-02-14 Ryo Okano , Masaaki Imaizumi

Recent research has led to the development of MCMC algorithms with likelihood-informed proposals when targeting posterior distributions supported on discrete state spaces. Our work is placed within this field and puts forward a new MCMC…

Methodology · Statistics 2026-05-22 Luca Aiello , Raffaele Argiento , Alexandros Beskos , Maria De Iorio

Motivated by the widely used geometric median-of-means estimator in machine learning, this paper studies statistical inference for ultrahigh dimensionality location parameter based on the sample spatial median under a general multivariate…

Methodology · Statistics 2023-01-10 Guanghui Cheng , Liuhua Peng , Changliang Zou