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I summarize Density Functional Theory (DFT) in a language familiar to quantum field theorists, and introduce several apparently novel ideas for constructing {\it systematic} approximations for the density functional. I also note that, at…

Materials Science · Physics 2015-03-11 T. Banks

This article generalizes the study of ramified optimal transport with capacity constraint in transport multi-paths by generalizing the $\mathbf{M}_{\alpha}$ cost to $\mathbf{M}_{\alpha,c}$, which incorporates capacity constraints into the…

Optimization and Control · Mathematics 2025-10-14 Qinglan Xia , Haotian Sun

Optimal Transport (OT) is a resource allocation problem with applications in biology, data science, economics and statistics, among others. In some of the applications, practitioners have access to samples which approximate the continuous…

We give a characterization of optimal transport plans for a variant of the usual quadratic transport cost introduced in [33]. Optimal plans are composition of a deterministic transport given by the gradient of a continuously differentiable…

Probability · Mathematics 2019-09-18 Nathael Gozlan , Nicolas Juillet

We present here novel insight into exchange-correlation functionals in density functional theory, based on the viewpoint of optimal transport. We show that in the case of two electrons and in the semiclassical limit, the exact…

Analysis of PDEs · Mathematics 2015-03-19 Codina Cotar , Gero Friesecke , Claudia Klüppelberg

In this work, we construct a novel numerical method for solving the multi-marginal optimal transport problems with Coulomb cost. This type of optimal transport problems arises in quantum physics and plays an important role in understanding…

Optimization and Control · Mathematics 2023-06-16 Yukuan Hu , Huajie Chen , Xin Liu

This article is an exposition on some recent theoretical advances in learning latent structured models, with a primary focus on the fundamental roles that optimal transport distances play in the statistical theory. We aim at what may be the…

Statistics Theory · Mathematics 2026-01-19 XuanLong Nguyen , Yun Wei

In this paper, we propose a new framework named Communication Optimal Transport (CommOT) for computing the rate distortion (RD) function. This work is motivated by observing the fact that the transition law and the relative entropy in…

Information Theory · Computer Science 2022-12-21 Shitong Wu , Wenhao Ye , Hao Wu , Huihui Wu , Wenyi Zhang , Bo Bai

Nanoscale electronic transport is of intense technological interest, with applications ranging from semiconducting devices and molecular junctions to charge migration in biological systems. Most explicit theoretical approaches treat…

Mesoscale and Nanoscale Physics · Physics 2014-08-08 Justin E. Elenewski , Hanning Chen

We consider the problem of optimal transportation with general cost between a empirical measure and a general target probability on R d , with d $\ge$ 1. We extend results in [19] and prove asymptotic stability of both optimal transport…

Statistics Theory · Mathematics 2021-02-24 Eustasio del Barrio , Alberto González-Sanz , Jean-Michel Loubes

While in principle exact, Kohn-Sham density functional theory -- the workhorse of computational chemistry -- must rely on approximations for the exchange-correlation functional. Despite staggering successes, present-day approximations still…

In this paper we study the three-marginal optimal mass transportation problem for the Coulomb cost on the plane $\R^2$. The key question is the optimality of the so-called Seidl map, first disproved by Colombo and Stra. We generalize the…

Analysis of PDEs · Mathematics 2021-12-02 Ugo Bindini , Luigi De Pascale , Anna Kausamo

Density functional theory (DFT) is an incredible success story. The low computational cost, combined with useful (but not yet chemical) accuracy, has made DFT a standard technique in most branches of chemistry and materials science.…

Chemical Physics · Physics 2015-06-03 Kieron Burke

We study the Lagrangian formulation of a class of the Monge-Kantorovich optimal transportation problem. It can be considered a stochastic optimal transportation problem for absolutely continuous stochastic processes. A cost function and…

Optimization and Control · Mathematics 2023-01-02 Toshio Mikami , Haruka Yamamoto

We investigate the convergence rate of the optimal entropic cost $v_\varepsilon$ to the optimal transport cost as the noise parameter $\varepsilon \downarrow 0$. We show that for a large class of cost functions $c$ on $\mathbb{R}^d\times…

Optimization and Control · Mathematics 2022-06-08 Guillaume Carlier , Paul Pegon , Luca Tamanini

We prove that for two-marginal optimal transport with Coulomb cost, the optimal map is a $C^{1,\alpha}$ diffeomorphism outside a closed set of Lebesgue measure zero provided the marginals are $\alpha$-H\"older continuous and bounded away…

Analysis of PDEs · Mathematics 2025-08-05 Gero Friesecke , Tobias Ried

We prove results relating the theory of optimal transport and generalized Ricci flow. We define an adapted cost functional for measures using a solution of the associated dilaton flow. This determines a formal notion of geodesics in the…

Differential Geometry · Mathematics 2024-01-11 Eva Kopfer , Jeffrey Streets

We consider optimal transport based distributionally robust optimization (DRO) problems with locally strongly convex transport cost functions and affine decision rules. Under conventional convexity assumptions on the underlying loss…

Optimization and Control · Mathematics 2021-04-27 Jose Blanchet , Karthyek Murthy , Fan Zhang

We define and discuss the properties of a class of cost functions on the sphere which we term defective cost functions. We then discuss how to extend these definitions and some properties to cost functions defined on Euclidean space and on…

Analysis of PDEs · Mathematics 2024-06-05 Axel G. R. Turnquist

In this paper, we extend our convexity theory for $C^2$ cost functions in optimal transportation to more general generating functions, which were originally introduced by the second author to extend the framework of optimal transportation…

Analysis of PDEs · Mathematics 2022-07-21 Gregoire Loeper , Neil S Trudinger