Zobrazeno 1 - 10
of 58
pro vyhledávání: '"Gerolin, Augusto"'
The goal of this paper is to settle the study of non-commutative optimal transport problems with convex regularization, in their static and finite-dimensional formulations. We consider both the balanced and unbalanced problem and show in both cases a
Externí odkaz:
http://arxiv.org/abs/2409.03698
Autor:
Gerolin, Augusto, Monina, Nataliia
We introduce the von Neumann entropy regularization of Unbalanced Non-commutative Optimal Transport, specifically Non-commutative Optimal Transport between semi-definite positive matrices (not necessarily with trace one). We prove the existence of a
Externí odkaz:
http://arxiv.org/abs/2309.04846
Given a wave-function minimizing the Levy-Lieb functional, the intent of this short note is to give an estimate of the probability of the particles being in positions $(x_1, \ldots, x_N)$ in the $\delta$-close regime $D_{\delta}= \cup_{i \neq j} \{|x
Externí odkaz:
http://arxiv.org/abs/2303.00496
Autor:
Richer, Michelle, Sánchez-Díaz, Gabriela, Martínez-González, Marco, Chuiko, Valerii, Kim, Taewon David, Tehrani, Alireza, Wang, Shuoyang, Gaikwad, Pratiksha B., de Moura, Carlos E. V., Masschelein, Cassandra, Miranda-Quintana, Ramón Alain, Gerolin, Augusto, Heidar-Zadeh, Farnaz, Ayers, Paul W.
Publikováno v:
Journal of Chemical Physics; 10/7/2024, Vol. 161 Issue 13, p1-9, 9p
Autor:
Vuckovic, Stefan, Gerolin, Augusto, Daas, Timothy J., Bahmann, Hilke, Friesecke, Gero, Gori-Giorgi, Paola
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 struggle
Externí odkaz:
http://arxiv.org/abs/2204.10769
This is a comprehensive review of the strong-interaction limit of density functional theory. It covers the derivation of the limiting strictly correlated electrons (SCE) functional from exact Hohenberg-Kohn DFT, basic aspects of SCE physics such as t
Externí odkaz:
http://arxiv.org/abs/2202.09760
This paper establishes new connections between many-body quantum systems, One-body Reduced Density Matrices Functional Theory (1RDMFT) and Optimal Transport (OT), by interpreting the problem of computing the ground-state energy of a finite dimensiona
Externí odkaz:
http://arxiv.org/abs/2106.11217
Autor:
Di Marino, Simone, Gerolin, Augusto
We introduce a new class of convex-regularized Optimal Transport losses, which generalizes the classical Entropy-regularization of Optimal Transport and Sinkhorn divergences, and propose a generalized Sinkhorn algorithm. Our framework unifies many re
Externí odkaz:
http://arxiv.org/abs/2007.00976
We approach the problem of learning continuous normalizing flows from a dual perspective motivated by entropy-regularized optimal transport, in which continuous normalizing flows are cast as gradients of scalar potential functions. This formulation a
Externí odkaz:
http://arxiv.org/abs/2006.06033
Gaussian distributions are plentiful in applications dealing in uncertainty quantification and diffusivity. They furthermore stand as important special cases for frameworks providing geometries for probability measures, as the resulting geometry on G
Externí odkaz:
http://arxiv.org/abs/2006.03416