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In this paper we focus on the development of new methods suitable for efficient and reliable coarse-graining of {\it non-equilibrium} molecular systems. In this context, we propose error estimation and controlled-fidelity model reduction…

Computational Physics · Physics 2015-06-15 Markos A. Katsoulakis , Petr Plechac

The paper is devoted to studies of perturbed Markov chains commonly used for description of information networks. In such models, the matrix of transition probabilities for the corresponding Markov chain is usually regularised by adding a…

In this paper, we introduce a matrix for a mixed graph, called the integrated adjacency matrix. This matrix uniquely determines a mixed graph, as long as the indices of the matrix are specified. Additionally, we associate an (undirected)…

Combinatorics · Mathematics 2025-11-27 G. Kalaivani , R. Rajkumar

The cross gramian matrix is a tool for model reduction and system identification, but it is only computable for square control systems. For symmetric systems the cross gramian possesses a useful relation to the system's associated Hankel…

Optimization and Control · Mathematics 2016-08-22 Christian Himpe , Mario Ohlberger

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

Markov Chain Monte Carlo (MCMC) has been the de facto technique for sampling and inference of large graphs such as online social networks. At the heart of MCMC lies the ability to construct an ergodic Markov chain that attains any given…

Statistics Theory · Mathematics 2019-02-04 Chul-Ho Lee , Min Kang , Do Young Eun

New criteria for which Cayley graphs of cyclic groups of any order can be completely determined--up to isomorphism--by the eigenvalues of their adjacency matrices is presented. Secondly, a new construction for pairs of nonisomorphic Cayley…

Combinatorics · Mathematics 2009-04-14 Julia Brown

Analyzing qualitative behaviors of biochemical reactions using its associated network structure has proven useful in diverse branches of biology. As an extension of our previous work, we introduce a graph-based framework to calculate steady…

Classical Analysis and ODEs · Mathematics 2014-04-28 Inom Mirzaev , David Matthew Bortz

The method of hypergraph containers, introduced recently by Balogh, Morris, and Samotij, and independently by Saxton and Thomason, has proved to be an extremely useful tool in the study of various monotone graph properties. In particular, a…

Combinatorics · Mathematics 2018-06-12 Robert Morris , Wojciech Samotij , David Saxton

We investigate the sparsity of null vectors of real symmetric matrices whose off-diagonal pattern of zero and nonzero entries is described by the adjacencies of a graph. We use the definition of the spark of a matrix, the smallest number of…

Combinatorics · Mathematics 2023-07-14 Louis Deaett , Shaun Fallat , Veronika Furst , John Hutchens , Lon Mitchell , Yaqi Zhang

A general way to construct chain models with certain Lie algebraic or quantum Lie algebraic symmetries is presented. These symmetric models give rise to series of integrable systems. As an example the chain models with $A_n$ symmetry and…

High Energy Physics - Theory · Physics 2008-02-03 Sergio Albeverio , Shao-Ming Fei

We provide a sufficient criterion for the unique parameter identification of combinatorially symmetric Hidden Markov Models based on the structure of their transition matrix. If the observed states of the chain form a zero forcing set of…

Combinatorics · Mathematics 2018-09-05 Daniel Klaus Burgarth

We use results from zero-error information theory to determine the set of non-injective functions through which a Markov chain can be projected without losing information. These lumping functions can be found by clique partitioning of a…

Information Theory · Computer Science 2016-08-18 Bernhard C. Geiger , Christoph Hofer-Temmel

Gaussian graphical models are useful tools for conditional independence structure inference of multivariate random variables. Unfortunately, Bayesian inference of latent graph structures is challenging due to exponential growth of…

We present a novel approach to detecting and utilizing symmetries in probabilistic graphical models with two main contributions. First, we present a scalable approach to computing generating sets of permutation groups representing the…

Artificial Intelligence · Computer Science 2014-08-12 Mathias Niepert

We present a novel approach to detecting and utilizing symmetries in probabilistic graphical models with two main contributions. First, we present a scalable approach to computing generating sets of permutation groups representing the…

Artificial Intelligence · Computer Science 2012-06-29 Mathias Niepert

This paper explicitly details the relation between $M$-matrices, nonnegative roots of nonnegative matrices, and the embedding problem for finite-state stationary Markov chains. The set of nonsingular nonnegative matrices with arbitrary…

Functional Analysis · Mathematics 2022-11-29 Alexander Van-Brunt

Non-equilibrium systems lack an explicit characterisation of their steady state like the Boltzmann distribution for equilibrium systems. This has drastic consequences for the inference of parameters of a model when its dynamics lacks…

Statistical Mechanics · Physics 2016-11-15 Simon L. Dettmer , H. Chau Nguyen , Johannes Berg

A new approach is developed for evaluating the convergence rate for nonlinear Markov chains (MC) based on the recently developed spectral radius technique of markovian coupling for linear MC and the idea of small nonlinear perturbations of…

Probability · Mathematics 2025-03-27 Alexander Shchegolev , Alexander Veretennikov

Here, the structural symmetries of a hypergraph are represented through equivalence relations on the vertex set of the hypergraph. A matrix associated with the hypergraph may not reflect a specific structural symmetry. In the context of a…

Combinatorics · Mathematics 2025-08-12 Anirban Banerjee , Samiron Parui