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Direct simulation of biomolecular dynamics in thermal equilibrium is challenging due to the metastable nature of conformation dynamics and the computational cost of molecular dynamics. Biased or enhanced sampling methods may improve the…

Chemical Physics · Physics 2015-06-12 Benjamin Trendelkamp-Schroer , Frank Noe

Biochemical signal transduction, a form of molecular communication, can be modeled using graphical Markov channels with input-modulated transition rates. Such channel models are strongly non-Gaussian. In this paper we use a linear noise…

Quantitative Methods · Quantitative Biology 2019-08-30 Gregory R. Hessler , Andrew W. Eckford , Peter J. Thomas

Biological and artificial systems encode information through several complex nonlinear operations, making their exact study a formidable challenge. These internal mechanisms often take place across multiple timescales and process external…

Statistical Mechanics · Physics 2024-11-19 Giorgio Nicoletti , Daniel M. Busiello

Many random processes can be simulated as the output of a deterministic model accepting random inputs. Such a model usually describes a complex mathematical or physical stochastic system and the randomness is introduced in the input…

Machine Learning · Statistics 2012-11-21 A. Gokcen Mahmutoglu , Alper T. Erdogan , Alper Demir

Information delivery via molecular signals is abundant in nature and potentially useful for industry sensing. Many propagation channels (e.g., tissue membranes and catalyst beds) contain porous medium materials and the impact this has on…

Information Theory · Computer Science 2020-04-24 Yuting Fang , Weisi Guo , Matteo Icardi , Adam Noel , Nan Yang

Biochemical signalling cascades transduce extracellular stimuli into cellular responses through sequences of discrete, node-to-node activations. While signal fidelity depends critically on local interaction kinetics, the mechanisms…

Dynamical Systems · Mathematics 2026-04-20 Chathranee Jayathilaka , Mark B. Flegg

The vast amount of biological knowledge accumulated over the years has allowed researchers to identify various biochemical interactions and define different families of pathways. There is an increased interest in identifying pathways and…

Applications · Statistics 2011-11-24 Francesco C. Stingo , Yian A. Chen , Mahlet G. Tadesse , Marina Vannucci

A path information is defined in connection with different possible paths of irregular dynamic systems moving in its phase space between two points. On the basis of the assumption that the paths are physically differentiated by their…

Statistical Mechanics · Physics 2007-05-23 Qiuping A. Wang

Atomistic simulations provide valuable insights into the physical processes governing material behavior. However, their applicability is fundamentally constrained by the limited time scales accessible to brute-force simulations. This…

Computational Physics · Physics 2026-02-16 Michael Kim , Wei Cai

This paper presents a Markov-based system model for microfluidic molecular communication (MC) channels. By discretizing the advection-diffusion dynamics, the proposed model establishes a physically consistent state-space formulation. The…

Emerging Technologies · Computer Science 2025-11-11 Ruifeng Zheng , Pengjie Zhou , Pit Hofmann , Fatima Rani , Juan A. Cabrera , Frank H. P. Fitzek

We present a novel method for computing reachability probabilities of parametric discrete-time Markov chains whose transition probabilities are fractions of polynomials over a set of parameters. Our algorithm is based on two key…

Software Engineering · Computer Science 2014-03-28 Nils Jansen , Florian Corzilius , Matthias Volk , Ralf Wimmer , Erika Ábrahám , Joost-Pieter Katoen , Bernd Becker

Multiplex networks describe a large variety of complex systems including infrastructures, transportation networks and biological systems. Most of these networks feature a significant link overlap. It is therefore of particular importance to…

Physics and Society · Physics 2016-09-07 Davide Cellai , Sergey N. Dorogovtsev , Ginestra Bianconi

In a molecular communication network, transmitters may encode information in concentration or frequency of signalling molecules. When the signalling molecules reach the receivers, they react, via a set of chemical reactions or a molecular…

Molecular Networks · Quantitative Biology 2020-07-23 Chun Tung Chou

This study aims to estimate the parameters of a stochastic exposed-infected epidemiological model for the transmission dynamics of notifiable infectious diseases, based on observations related to isolated cases counts only. We use the…

Applications · Statistics 2024-04-15 Ibrahim Bouzalmat , Benoîte de Saporta , Solym M. Manou-Abi

Networks with stochastic variables described by heavy tailed lognormal distribution are ubiquitous in nature, and hence they deserve an exact information-theoretic characterization. We derive analytical formulas for mutual information…

Disordered Systems and Neural Networks · Physics 2024-04-23 Maurycy Chwiłka , Jan Karbowski

We explore the dynamics of information systems. We show that the driving force for information dynamics is determined by both the information landscape and information flux which determines the equilibrium time reversible and the…

Statistical Mechanics · Physics 2018-02-14 Qian Zeng , Jin Wang

This article introduces the physics of information in the context of molecular biology and genomics. Entropy and information, the two central concepts of Shannon's theory of information and communication, are often confused with each other…

Biomolecules · Quantitative Biology 2007-05-23 Christoph Adami

This article develops a new mathematical method for holistic analysis of nonlinear dynamic compartmental systems through the system decomposition theory. The method is based on the novel dynamic system and subsystem partitioning…

Systems and Control · Electrical Eng. & Systems 2020-11-24 Huseyin Coskun

Estimation of mutual information between (multidimensional) real-valued variables is used in analysis of complex systems, biological systems, and recently also quantum systems. This estimation is a hard problem, and universally good…

Quantitative Methods · Quantitative Biology 2019-08-14 Caroline M. Holmes , Ilya Nemenman

We provide a numerical study of the macroscopic model of [3] derived from an agent-based model for a system of particles interacting through a dynamical network of links. Assuming that the network remodelling process is very fast, the…