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We study a graph partitioning problem motivated by the simulation of the physical movement of multi-body systems on an atomistic level, where the forces are calculated from a quantum mechanical description of the electrons. Several advanced…

Symmetric edge polytopes are lattice polytopes associated with finite simple graphs that are of interest in both theory and applications. We investigate the facet structure of symmetric edge polytopes for various models of random graphs.…

Combinatorics · Mathematics 2024-02-14 Benjamin Braun , Kaitlin Bruegge , Matthew Kahle

Mixture models are one of the most widely used statistical tools when dealing with data from heterogeneous populations. This paper considers the long-standing debate over finite mixture and infinite mixtures and brings the two modelling…

Methodology · Statistics 2019-04-23 Raffaele Argiento , Maria De Iorio

To study the cooling behavior and the glass transition of polymer melts in bulk and with free surfaces a coarse-grained weakly semi-flexible polymer model is developed. Based on a standard bead spring model with purely repulsive…

Soft Condensed Matter · Physics 2019-09-09 Hsiao-Ping Hsu , Kurt Kremer

Normalizing flows are a promising tool for modeling probability distributions in physical systems. While state-of-the-art flows accurately approximate distributions and energies, applications in physics additionally require smooth energies…

Machine Learning · Statistics 2021-12-01 Jonas Köhler , Andreas Krämer , Frank Noé

Graphical models have been popularly used for capturing conditional independence structure in multivariate data, which are often built upon independent and identically distributed observations, limiting their applicability to complex…

Methodology · Statistics 2025-07-03 Yuwen Wang , Changyu Liu , Xin He , Junhui Wang

In this article we introduce a simple tool to derive polynomial upper bounds for the probability of observing unusually large maximal components in some models of random graphs when considered at criticality. Specifically, we apply our…

Probability · Mathematics 2022-02-01 Umberto De Ambroggio

Modeling complex systems, like neural networks, simple liquids or flocks of birds, often works in reverse to textbook approaches: given data for which averages and correlations are known, we try to find the parameters of a given model…

Statistical Mechanics · Physics 2023-04-25 Tobias Kühn , Frédéric van Wijland

We introduce merge-width, a family of graph parameters that unifies several structural graph measures, including treewidth, degeneracy, twin-width, clique-width, and generalized coloring numbers. Our parameters are based on new…

Combinatorics · Mathematics 2025-02-26 Jan Dreier , Szymon Toruńczyk

Generative network models play an important role in algorithm development, scaling studies, network analysis, and realistic system benchmarks for graph data sets. The commonly used graph-based benchmark model R-MAT has some drawbacks…

Data Structures and Algorithms · Computer Science 2016-07-01 Moritz von Looz , Mustafa Özdayi , Sören Laue , Henning Meyerhenke

We describe a general strategy, PERM (Pruned-Enriched Rosenbluth Method), for sampling configurations from a given Gibbs-Boltzmann distribution. The method is not based on the Metropolis concept of establishing a Markov process whose…

Soft Condensed Matter · Physics 2007-05-23 P. Grassberger , und H. Frauenkron

We formulate a framework of polynomial diagrams, which are a generalisation of power diagrams (PDs) and anisotropic power diagrams (APDs) allowing for boundaries between cells to be algebraic curves of a prescribed degree. We show that they…

Optimization and Control · Mathematics 2026-05-21 David P. Bourne , Maciej Buze , Thomas Gallouët , Quentin Mérigot

Graphical models are a rich language for describing high-dimensional distributions in terms of their dependence structure. While there are algorithms with provable guarantees for learning undirected graphical models in a variety of…

Machine Learning · Computer Science 2018-11-07 Guy Bresler , Frederic Koehler , Ankur Moitra , Elchanan Mossel

Graphical models use graphs to compactly capture stochastic dependencies amongst a collection of random variables. Inference over graphical models corresponds to finding marginal probability distributions given joint probability…

Machine Learning · Statistics 2013-04-02 Divyanshu Vats , José M. F. Moura

We prove upper bounds on the graph diameters of polytopes in two settings. The first is a worst-case bound for polytopes defined by integer constraints in terms of the height of the integers and certain subdeterminants of the constraint…

Combinatorics · Mathematics 2022-09-16 Hariharan Narayanan , Rikhav Shah , Nikhil Srivastava

Random planar graphs have been the subject of much recent work. Many basic properties of the standard uniform random planar graph P_{n}, by which we mean a graph chosen uniformly at random from the set of all planar graphs with vertex set…

Combinatorics · Mathematics 2013-07-23 Chris Dowden

We discuss uniform sampling algorithms that are based on stochastic growth methods, using sampling of extreme configurations of polymers in simple lattice models as a motivation. We shall show how a series of clever enhancements to a…

Statistical Mechanics · Physics 2015-06-11 T. Prellberg

We consider the topologically constrained random walk model for topological polymers. In this model, the polymer forms an arbitrary graph whose edges are selected from an appropriate multivariate Gaussian which takes into account the…

Statistical Mechanics · Physics 2022-11-30 Jason Cantarella , Tetsuo Deguchi , Clayton Shonkwiler , Erica Uehara

We present a new notion of limits of weighted directed graphs of growing size based on convergence of their random quotients. These limits are specified in terms of random exchangeable measures on the unit square. We call our limits…

Combinatorics · Mathematics 2026-03-24 Eitan Levin , Venkat Chandrasekaran

Bottle brushes are polymeric macromolecules made of a linear polymeric backbone grafted with side chains. The choice of the grafting density {\sigma}g, the length ns the grafted side chains and their chemical nature fully determines the…

Soft Condensed Matter · Physics 2019-08-09 P. Corsi , E. Roma , T. Gasperi , F. Bruni , B. Capone
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