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This paper presents new results about the optimization based generation of chemical reaction networks (CRNs) of higher deficiency. Firstly, it is shown that the graph structure of the realization containing the maximal number of reactions…

Molecular Networks · Quantitative Biology 2011-03-23 Gabor Szederkenyi , Katalin M. Hangos , Tamas Peni

Biochemical networks are used in computational biology, to model the static and dynamical details of systems involved in cell signaling, metabolism, and regulation of gene expression. Parametric and structural uncertainty, as well as…

Molecular Networks · Quantitative Biology 2014-10-15 Ovidiu Radulescu , Alexander N. Gorban , Andrei Zinovyev , Vincent Noel

Markov chain Monte Carlo (MCMC) algorithms provide a very general recipe for estimating properties of complicated distributions. While their use has become commonplace and there is a large literature on MCMC theory and practice, MCMC users…

Computation · Statistics 2012-05-03 Murali Haran , Luke Tierney

We propose a unified framework that allows for the full mechanistic reconstruction of chemical reaction networks (CRNs) from concentration data. The framework utilizes an integral formulation of the differential equations governing the…

Numerical Analysis · Mathematics 2026-02-13 Abraham Reyes-Velazquez , Stefan Güttel , Igor Larrosa , Jonas Latz

MC networks are envisioned to enable synthetic information exchange between nanoscale biological entities. For many algorithm proposals in the MC research field, the question of implementation at nanoscales and in biological environments…

Emerging Technologies · Computer Science 2026-03-13 Alexander Wietfeld , Oguz Turgut , Eneritz Somoza Rodríguez , Wolfgang Kellerer

In the paper, we study a new rate of convergence estimate for homogeneous discrete-time nonlinear Markov chains based on the Markov-Dobrushin condition. This result generalizes the convergence estimates for any positive number of transition…

Probability · Mathematics 2021-10-22 Aleksandr A. Shchegolev

We present an algorithm that can efficiently compute a broad class of inferences for discrete-time imprecise Markov chains, a generalised type of Markov chains that allows one to take into account partially specified probabilities and other…

Probability · Mathematics 2019-07-02 Natan T'Joens , Thomas Krak , Jasper De Bock , Gert de Cooman

The stochastic dynamics of biochemical reaction networks can be accurately described by discrete-state Markov processes where each chemical reaction corresponds to a state transition of the process. Due to the largeness problem of the state…

Numerical Analysis · Mathematics 2015-10-01 Alexander Andreychenko , Linar Mikeev , Verena Wolf

Computing the stationary distributions of a continuous-time Markov chain (CTMC) involves solving a set of linear equations. In most cases of interest, the number of equations is infinite or too large, and the equations cannot be solved…

Probability · Mathematics 2020-08-25 Juan Kuntz , Philipp Thomas , Guy-Bart Stan , Mauricio Barahona

We propose a method to approximate continuous-time, continuous-state stochastic processes by a discrete-time Markov chain defined on a nonuniform grid. Our method provides exact moment matching for processes whose first and second moments…

Probability · Mathematics 2025-11-27 Do Hyun Kim , Ahmet Cetinkaya

A continuous-time Markov chain rate change formula for simulation, model selection, filtering and theory is proven. It is used to develop Markov chain importance sampling, rejection sampling, branching particle filtering algorithms and…

Statistics Theory · Mathematics 2023-08-14 Michael A. Kouritzin

We propose a new approach for estimating the finite dimensional transition matrix of a Markov chain using a large number of independent sample paths observed at random times. The sample paths may be observed as few as two times, and the…

Methodology · Statistics 2025-05-20 Daphne Aurouet , Valentin Patilea

We present two quantitative behavioral equivalences over species of a chemical reaction network (CRN) with semantics based on ordinary differential equations. Forward CRN bisimulation identifies a partition where each equivalence class…

Logic in Computer Science · Computer Science 2015-07-16 Luca Cardelli , Mirco Tribastone , Max Tschaikowski , Andrea Vandin

Chemical reaction networks (CRNs) are foundational models for describing complex biochemical processes. We study noncompetitive CRNs, a class of networks whose static states are rate-independent, and that can implement ReLU neural networks.…

Molecular Networks · Quantitative Biology 2025-12-22 Louis Faul , Xavier Richard , Mary Betrisey , Christian Mazza

In this study, we consider sequences drawn from time-homogeneous Markov chains and introduce a novel approach for estimating first hitting-time distributions to specified terminal states. Our method- ology is based on the…

Statistics Theory · Mathematics 2026-05-19 Mikael Escobar-Bach , Alexandre Popier , Malo Sahin

Hebbian theory seeks to explain how the neurons in the brain adapt to stimuli, to enable learning. An interesting feature of Hebbian learning is that it is an unsupervised method and as such, does not require feedback, making it suitable in…

Neurons and Cognition · Quantitative Biology 2022-06-07 Jakub Fil , Neil Dalchau , Dominique Chu

We review in a unified way results for two types of stochastic chemical reaction systems for which moments can be effectively computed: feedforward networks and complex-balanced networks.

Optimization and Control · Mathematics 2016-12-08 Eduardo D. Sontag

Chemical reactions occur in energy, environmental, biological, and many other natural systems, and the inference of the reaction networks is essential to understand and design the chemical processes in engineering and life sciences. Yet,…

Molecular Networks · Quantitative Biology 2021-01-22 Weiqi Ji , Sili Deng

A highly efficient formulation of moment equations for stochastic reaction networks is introduced. It is based on a set of binomial moments that capture the combinatorics of the reaction processes. The resulting set of equations can be…

Statistical Mechanics · Physics 2015-05-20 Baruch Barzel , Ofer Biham

Interactive Markov chains (IMC) are compositional behavioural models extending labelled transition systems and continuous-time Markov chains. We provide a framework and algorithms for compositional verification and optimization of IMC with…

Logic in Computer Science · Computer Science 2013-12-05 Holger Hermanns , Jan Krčál , Jan Křetínský
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