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Predicting molecular conformations from molecular graphs is a fundamental problem in cheminformatics and drug discovery. Recently, significant progress has been achieved with machine learning approaches, especially with deep generative…

Machine Learning · Computer Science 2022-03-16 Minkai Xu , Lantao Yu , Yang Song , Chence Shi , Stefano Ermon , Jian Tang

We consider metrics which are preserved under a $p$-Wasserstein transport map, up to a possible contraction. In the case $p=1$ this corresponds to a metric which is uniformly curved in the sense of coarse Ricci curvature. We investigate the…

Probability · Mathematics 2017-12-08 Florian Völlering

If a graph has a non-singular adjacency matrix, then one may use the inverse matrix to define a (labeled) graph that may be considered to be the inverse graph to the original one. It has been known that an adjacency matrix of a tree is…

Combinatorics · Mathematics 2018-01-03 Soňa Pavlíková , Jozef Širáň

McKay proved that the limiting spectral measures of the ensembles of $d$-regular graphs with $N$ vertices converge to Kesten's measure as $N\to\infty$. In this paper we explore the case of weighted graphs. More precisely, given a large…

Probability · Mathematics 2013-07-01 Leo Goldmakher , Cap Khoury , Steven J. Miller , Kesinee Ninsuwan

We explore model based techniques of phylogenetic tree inference exercising Markov invariants. Markov invariants are group invariant polynomials and are distinct from what is known in the literature as phylogenetic invariants, although we…

Populations and Evolution · Quantitative Biology 2012-04-24 J. G. Sumner , M. A. Charleston , L. S. Jermiin , P. D. Jarvis

We propose a model of random walks on weighted graphs where the weights are interval valued, and connect it to reversible imprecise Markov chains. While the theory of imprecise Markov chains is now well established, this is a first attempt…

Optimization and Control · Mathematics 2016-09-20 Damjan Škulj

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

A metric tree ($M$, $d$), also known as $\mathbb{R}$-trees or $T$-theory, is a metric space such that between any two points there is an unique arc and that arc is isometric to an interval in $\mathbb{R}$. In this paper after presenting…

Metric Geometry · Mathematics 2009-02-23 A. G. Aksoy , M. S. Borman , A. L. Westfahl

The total reciprocal edge-eccentricity is a novel graph invariant with vast potential in structure activity/property relationships. This graph invariant displays high discriminating power with respect to both biological activity and…

Combinatorics · Mathematics 2015-08-25 Shuchao Li , Lifang Zhao

We present a graph model for a background independent, relational approach to spacetime emergence. The general idea and the graph main features, detailed in [1], are discussed. This is a combinatorial (dynamical) metric graph, colored on…

General Relativity and Quantum Cosmology · Physics 2020-07-14 D. Pugliese

We study modulational instability in a fiber system resembling a dispersion-managed link where the sign of the group-velocity dispersion varies randomly according to a telegraph process. We find that the instability gain of stochastic…

Optics · Physics 2023-11-13 Andrea Armaroli , Matteo Conforti

A multi-type branching process is defined as a random tree with labeled vertices, where each vertex produces offspring independently according to the same multivariate probability distribution. We demonstrate that in realizations of the…

Probability · Mathematics 2025-03-31 Jochem Hoogendijk , Ivan Kryven , Rik Versendaal

We examine data-processing of Markov chains through the lens of information geometry. We first establish a theory of congruent Markov morphisms within the framework of stochastic matrices. Specifically, we introduce and justify the concept…

Probability · Mathematics 2023-12-21 Geoffrey Wolfer , Shun Watanabe

Consider a piecewise smooth expanding map of the interval possessing several invariant subintervals and the same number of ergodic absolutely continuous invariant probability measures (ACIMs). After this system is perturbed to make the…

Dynamical Systems · Mathematics 2010-11-25 Dmitry Dolgopyat , Paul Wright

We consider the filtering and smoothing problems for an infinite-dimensional diffusion process X, observed through a finite-dimensional representation at discrete points in time. At the heart of our proposed methodology lies the…

Probability · Mathematics 2025-09-12 Thorben Pieper-Sethmacher , Daniele Avitabile , Frank van der Meulen

Graph embedding provides a feasible methodology to conduct pattern classification for graph-structured data by mapping each data into the vectorial space. Various pioneering works are essentially coding method that concentrates on a…

Machine Learning · Computer Science 2022-10-04 Xue Liu , Dan Sun , Xiaobo Cao , Hao Ye , Wei Wei

We study Markov processes on weighted directed hypergraphs where the state of at most one vertex can change at a time. Our setting is general enough to include simplicial epidemic processes, processes on multilayered networks or even the…

Probability · Mathematics 2024-10-10 Dániel Keliger , Balázs Ráth

Graph representations offer powerful and intuitive ways to describe data in a multitude of application domains. Here, we consider stochastic processes generating graphs and propose a methodology for detecting changes in stationarity of such…

Machine Learning · Computer Science 2021-02-11 Daniele Zambon , Cesare Alippi , Lorenzo Livi

We study spanning diverging forests of a digraph and related matrices. It is shown that the normalized matrix of out forests of a digraph coincides with the transition matrix in a specific observation model for Markov chains related to the…

Combinatorics · Mathematics 2007-05-23 Rafig Agaev , Pavel Chebotarev

This work presents a detailed mathematical model combined with an innovative efficient numerical model to predict heat, air and moisture transfer through porous building materials. The model considers the transient effects of air transport…

Applied Physics · Physics 2020-02-20 Julien Berger , Denys Dutykh , Nathan Mendes , Bolatbek Rysbaiuly
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