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In this paper, we discuss information-theoretic tools for obtaining optimized coarse-grained molecular models for both equilibrium and non-equilibrium molecular dynamics. The latter are ubiquitous in physicochemical and biological…

Numerical Analysis · Mathematics 2016-04-20 Vagelis Harmandaris , Evangelia Kalligiannaki , Markos A. Katsoulakis , Petr Plecháč

Given a finite typed rooted tree $T$ with $n$ vertices, the {\em empirical subtree measure} is the uniform measure on the $n$ typed subtrees of $T$ formed by taking all descendants of a single vertex. We prove a large deviation principle in…

Probability · Mathematics 2007-05-23 Amir Dembo , Peter Morters , Scott Sheffield

We study the variational principle and derivation of the field equations for different classes of teleparallel gravity theories, using both their metric-affine and covariant tetrad formulations. These theories have in common that in…

General Relativity and Quantum Cosmology · Physics 2021-04-22 Manuel Hohmann

We study how to establish $\textit{spectral independence}$, a key concept in sampling, without relying on total influence bounds, by applying an $\textit{approximate inverse}$ of the influence matrix. Our method gives constant upper bounds…

Data Structures and Algorithms · Computer Science 2024-04-09 Xiaoyu Chen , Xiongxin Yang , Yitong Yin , Xinyuan Zhang

Many real-world networks of interest are embedded in physical space. We present a new random graph model aiming to reflect the interplay between the geometries of the graph and of the underlying space. The model favors configurations with…

Probability · Mathematics 2017-06-14 Jean-Christophe Mourrat , Daniel Valesin

Gaussian graphical models have been used to study intrinsic dependence among several variables, but the Gaussianity assumption may be restrictive in many applications. A nonparanormal graphical model is a semiparametric generalization for…

Methodology · Statistics 2020-05-20 Jami J. Mulgrave , Subhashis Ghosal

In reliable decision-making systems based on machine learning, models have to be robust to distributional shifts or provide the uncertainty of their predictions. In node-level problems of graph learning, distributional shifts can be…

Machine Learning · Computer Science 2023-11-02 Gleb Bazhenov , Denis Kuznedelev , Andrey Malinin , Artem Babenko , Liudmila Prokhorenkova

In this paper we present a conditional principle of Gibbs type for independent nonidentically distributed random vectors. We obtain this result by performing Edgeworth expansions for densities of sums of independent random vectors.

Probability · Mathematics 2022-01-19 Dimbihery Rabenoro

We develop a theory to measure the variance and covariance of probability distributions defined on the nodes of a graph, which takes into account the distance between nodes. Our approach generalizes the usual (co)variance to the setting of…

Physics and Society · Physics 2021-08-19 Karel Devriendt , Samuel Martin-Gutierrez , Renaud Lambiotte

We investigate the dynamic formation of regular random graphs. In our model, we pick a pair of nodes at random and connect them with a link if both of their degrees are smaller than d. Starting with a set of isolated nodes, we repeat this…

Statistical Mechanics · Physics 2011-11-16 E. Ben-Naim , P. L. Krapivsky

Let $\Gamma$ be the fundamental group of a finite connected graph $\mathcal G$. Let $\mathfrak M$ be an abelian group. A {\it distribution} on the boundary $\partial\Delta$ of the universal covering tree $\Delta$ is an $\mathfrak M$-valued…

Group Theory · Mathematics 2013-02-25 Guyan Robertson

The proposed theory of causally structured discrete fields studies integer values on directed edges of a self-similar graph with a propagation rule, which we define as a set of valid combinations of integer values and edge directions around…

General Relativity and Quantum Cosmology · Physics 2020-01-30 K. V. Bayandin

The Gromov-Wasserstein (GW) distance enables comparing metric measure spaces based solely on their internal structure, making it invariant to isomorphic transformations. This property is particularly useful for comparing datasets that…

Statistics Theory · Mathematics 2024-10-24 Gabriel Rioux , Ziv Goldfeld , Kengo Kato

We introduce a method based on Gaussian process regression to identify discrete variational principles from observed solutions of a field theory. The method is based on the data-based identification of a discrete Lagrangian density. It is a…

Numerical Analysis · Mathematics 2024-07-11 Christian Offen

We consider random geometric graphs on the plane characterized by a non-uniform density of vertices. In particular, we introduce a graph model where $n$ vertices are independently distributed in the unit disc with positions, in polar…

Disordered Systems and Neural Networks · Physics 2022-04-06 C. T. Martinez-Martinez , J. A. Mendez-Bermudez , Francisco A. Rodrigues , Ernesto Estrada

We study a model of random $\mathcal{R}$-enriched trees that is based on weights on the $\mathcal{R}$-structures and allows for a unified treatment of a large family of random discrete structures. We establish distributional limits…

Probability · Mathematics 2018-12-12 Benedikt Stufler

The large deviation principle is proved for a class of $L^2$-valued processes that arise from the coarse-graining of a random field. Coarse-grained processes of this kind form the basis of the analysis of local mean-field models in…

Mathematical Physics · Physics 2007-05-23 R. S. Ellis , K. Haven , B. Turkington

We prove an invariance principle for a class of zero-drift spatially non-homogeneous random walks in $\mathbb{R}^d$, which may be recurrent in any dimension. The limit $\mathcal{X}$ is an elliptic martingale diffusion, which may be…

Probability · Mathematics 2019-05-21 Nicholas Georgiou , Aleksandar Mijatović , Andrew R. Wade

We define and study a model of winding for non-colliding particles in finite trees. We prove that the asymptotic behavior of this statistic satisfies a central limiting theorem, analogous to similar results on winding of bounded particles…

Combinatorics · Mathematics 2020-04-03 David A. Levin , Eric Ramos , Benjamin Young

In this document, we aim to gather various results related to a compositional/categorical approach to rigorous Statistical Mechanics. Rigorous Statistical Mechanics is centered on the mathematical study of statistical systems. Central…

Mathematical Physics · Physics 2024-03-26 Grégoire Sergeant-Perthuis