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Machine learning (ML)-based interatomic potentials are currently garnering a lot of attention as they strive to achieve the accuracy of electronic structure methods at the computational cost of empirical potentials. Given their generic…

Computational Physics · Physics 2020-02-20 Mariia Karabin , Danny Perez

Reconstruction of sets from a random sample of points intimately related to them is the goal of set estimation theory. Within this context, a particular problem is the one related with the reconstruction of density level sets and…

Methodology · Statistics 2020-11-06 Paula Saavedra-Nieves , Rosa María Crujeiras

Semi-supervised learning provides an effective paradigm for leveraging unlabeled data to improve a model's performance. Among the many strategies proposed, graph-based methods have shown excellent properties, in particular since they allow…

Machine Learning · Statistics 2021-03-29 Mourad El Hamri , Younès Bennani

Optimal transport aims to estimate a transportation plan that minimizes a displacement cost. This is realized by optimizing the scalar product between the sought plan and the given cost, over the space of doubly stochastic matrices. When…

When constructing models of the world, we aim for optimal compressions: models that include as few details as possible while remaining as accurate as possible. But which details -- or features measured in data -- should we choose to include…

Quantitative Methods · Quantitative Biology 2025-05-06 David P. Carcamo , Nicholas J. Weaver , Purushottam D. Dixit , Christopher W. Lynn

Transfer entropy (TE) is an information theoretic measure that reveals the directional flow of information between processes, providing valuable insights for a wide range of real-world applications. This work proposes Transfer Entropy…

Information Theory · Computer Science 2025-07-22 Omer Luxembourg , Dor Tsur , Haim Permuter

For nonparametric regression in the streaming setting, where data constantly flow in and require real-time analysis, a main challenge is that data are cleared from the computer system once processed due to limited computer memory and…

Statistics Theory · Mathematics 2022-08-19 Mingxue Quan , Zhenhua Lin

We provide general adaptive upper bounds for estimating nonparametric functionals based on second order U-statistics arising from finite dimensional approximation of the infinite dimensional models. We then provide examples of functionals…

Statistics Theory · Mathematics 2021-06-07 Lin Liu , Rajarshi Mukherjee , James Robins , Eric Tchetgen Tchetgen

We propose a unified data-driven framework based on inverse optimal transport that can learn adaptive, nonlinear interaction cost function from noisy and incomplete empirical matching matrix and predict new matching in various matching…

Machine Learning · Statistics 2018-11-01 Ruilin Li , Xiaojing Ye , Haomin Zhou , Hongyuan Zha

Sample efficiency is important when optimizing parameters of locomotion controllers, since hardware experiments are time consuming and expensive. Bayesian Optimization, a sample-efficient optimization framework, has recently been widely…

Robotics · Computer Science 2018-10-11 Rika Antonova , Akshara Rai , Christopher G. Atkeson

We develop a general approach to prove global regularity estimates for quadratic optimal transport using the entropic regularisation of the problem and the Prekopa-Leindler inequality.

Functional Analysis · Mathematics 2025-12-04 Nathael Gozlan , Maxime Sylvestre

The ability to quantify the directional flow of information is vital to understanding natural systems and designing engineered information-processing systems. A widely used measure to quantify this information flow is the transfer entropy.…

Molecular Networks · Quantitative Biology 2025-07-11 Avishek Das , Pieter Rein ten Wolde

A new nonparametric estimator of a convex regression function in any dimension is proposed and its convergence properties are studied. We start by using any estimator of the regression function and we \emph{convexify} it by taking the…

Statistics Theory · Mathematics 2010-06-16 Néstor E. Aguilera , Liliana Forzani , Pedro Morin

Distributional data have become increasingly prominent in modern signal processing, highlighting the necessity of computing optimal transport (OT) maps across multiple probability distributions. Nevertheless, recent studies on neural OT…

Machine Learning · Computer Science 2025-04-25 Mingchen Jiang , Peng Xu , Xichen Ye , Xiaohui Chen , Yun Yang , Yifan Chen

Numerical methods for the optimal transport problem is an active area of research. Recent work of Kitagawa and Abedin shows that the solution of a time-dependent equation converges exponentially fast as time goes to infinity to the solution…

Numerical Analysis · Mathematics 2021-04-05 Abigail Brauer , Megan Krawick , Manuel Santana

We discuss an algorithm to compute transport maps that couple the uniform measure on $[0,1]^d$ with a specified target distribution $\pi$ on $[0,1]^d$. The primary objectives are either to sample from or to compute expectations w.r.t.…

Numerical Analysis · Mathematics 2023-11-08 Josephine Westermann , Jakob Zech

In many statistical and econometric applications, we gather individual samples from various interconnected populations that undeniably exhibit common latent structures. Utilizing a model that incorporates these latent structures for such…

Methodology · Statistics 2023-09-19 Archer Gong Zhang , Jiahua Chen

We derive limit distributions for certain empirical regularized optimal transport distances between probability distributions supported on a finite metric space and show consistency of the (naive) bootstrap. In particular, we prove that the…

Statistics Theory · Mathematics 2019-05-02 Marcel Klatt , Carla Tameling , Axel Munk

Computing optimal transport (OT) for general high-dimensional data has been a long-standing challenge. Despite much progress, most of the efforts including neural network methods have been focused on the static formulation of the OT…

Machine Learning · Statistics 2025-03-12 Chen Xu , Xiuyuan Cheng , Yao Xie

The purpose of this note is to show how simple Optimal Transport arguments, on the real line, can be used in Superconcentration theory. This methodology is efficient to produce sharp non-asymptotic variance bounds for various functionals…

Probability · Mathematics 2018-04-11 Kevin Tanguy