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Here we focus on the challenge of verifying the correctness of molecular implementations of abstract chemical reaction networks, where operation in a well-mixed "soup" of molecules is stochastic, asynchronous, concurrent, and often involves…

Computational Engineering, Finance, and Science · Computer Science 2019-10-01 Seung Woo Shin , Chris Thachuk , Erik Winfree

The behavior of some stochastic chemical reaction networks is largely unaffected by slight inaccuracies in reaction rates. We formalize the robustness of state probabilities to reaction rate deviations, and describe a formal connection…

Computational Complexity · Computer Science 2009-01-28 David Soloveichik

We show that weakly reversible mass-action systems can have a continuum of positive steady states, coming from the zeroes of a multivariate polynomial. Moreover, the same is true of systems whose underlying reaction network is reversible…

Molecular Networks · Quantitative Biology 2022-09-14 Balázs Boros , Gheorghe Craciun , Polly Y. Yu

Chemical reaction networks are often used to model and understand biological processes such as cell signaling. Under the framework of chemical reaction network theory, a process is modeled with a directed graph and a choice of kinetics,…

Combinatorics · Mathematics 2020-12-07 Mark Curiel , Elizabeth Gross , Carlos Munoz

Understanding the insulin signaling cascade provides insights on the underlying mechanisms of biological phenomena such as insulin resistance, diabetes, Alzheimer's disease, and cancer. For this reason, previous studies utilized chemical…

Molecular Networks · Quantitative Biology 2024-05-20 Patrick Vincent N. Lubenia , Eduardo R. Mendoza , Angelyn R. Lao

Split networks are a popular tool for the analysis and visualization of complex evolutionary histories. Every collection of splits (bipartitions) of a finite set can be represented by a split network. Here we characterize which collection…

Populations and Evolution · Quantitative Biology 2015-09-22 Monika Balvočiūtė , David Bryant , Andreas Spillner

The study of networks plays a crucial role in investigating the structure, dynamics, and function of a wide variety of complex systems in myriad disciplines. Despite the success of traditional network analysis, standard networks provide a…

Physics and Society · Physics 2017-04-05 Manlio De Domenico , Clara Granell , Mason A. Porter , Alex Arenas

This paper is concerned with the dynamical properties of deterministically modeled chemical reaction systems with mass-action kinetics. Such models are ubiquitously found in chemistry, population biology, and the burgeoning field of systems…

Dynamical Systems · Mathematics 2011-06-20 David F. Anderson

To mimic the complex transport-like collective phenomena in a man-made or natural system, we study an open network junction model of totally asymmetric simple exclusion process with bulk particle attachment and detachment. The stationary…

Statistical Mechanics · Physics 2022-02-23 Ankita Gupta , Arvind Kumar Gupta

Computational techniques are required for narrowing down the vast space of possibilities to plausible prebiotic scenarios, since precise information on the molecular composition, the dominant reaction chemistry, and the conditions for that…

Molecular Networks · Quantitative Biology 2018-02-07 Jakob L. Andersen , Christoph Flamm , Daniel Merkle , Peter F. Stadler

Complex networks have been shown to be robust against random structural perturbations, but vulnerable against targeted attacks. Robustness analysis usually simulates the removal of individual or sets of nodes, followed by the assessment of…

Molecular Networks · Quantitative Biology 2012-11-13 Oriol Güell , Francesc Sagués , Georg Basler , Zoran Nikoloski , M. Ángeles Serrano

Given a metabolic network in terms of its metabolites and reactions, our goal is to efficiently compute the minimal knock out sets of reactions required to block a given behaviour. We describe an algorithm which improves the computation of…

Quantitative Methods · Quantitative Biology 2008-08-28 Utz-Uwe Haus , Steffen Klamt , Tamon Stephen

The nonlinearities found in molecular networks usually prevent mathematical analysis of network behaviour, which has largely been studied by numerical simulation. This can lead to difficult problems of parameter determination. However,…

Molecular Networks · Quantitative Biology 2012-07-17 R. L. Karp , M. Pérez Millán , T. Dasgupta , A. Dickenstein , J. Gunawardena

Stochastic reaction networks are mathematical models with a wide range of applications in biochemistry, ecology, and epidemiology, and are often complex to analyze. Except for some special cases, it is generally difficult to predict how the…

Probability · Mathematics 2026-04-02 Daniele Cappelletti , Giulio Cuniberti , Paola Siri

The randomized or cross-validated split of training and testing sets has been adopted as the gold standard of machine learning for decades. The establishment of these split protocols are based on two assumptions: (i)-fixing the dataset to…

Machine Learning · Computer Science 2021-06-09 Jimin Tan , Jianan Yang , Sai Wu , Gang Chen , Jake Zhao

We discuss a method of approximate model reduction for networks of biochemical reactions. This method can be applied to networks with polynomial or rational reaction rates and whose parameters are given by their orders of magnitude. In…

Molecular Networks · Quantitative Biology 2015-05-27 Ovidiu Radulescu , Sergei Vakulenko , Dima Grigoriev

The ability to detect weak distributed activation patterns in networks is critical to several applications, such as identifying the onset of anomalous activity or incipient congestion in the Internet, or faint traces of a biochemical spread…

Information Theory · Computer Science 2010-03-02 Aarti Singh , Robert D. Nowak , Robert Calderbank

Compounding is a highly productive word-formation process in some languages that is often problematic for natural language processing applications. In this paper, we investigate whether distributional semantics in the form of word…

Computation and Language · Computer Science 2015-09-16 Joachim Daiber , Lautaro Quiroz , Roger Wechsler , Stella Frank

Deterministic reaction networks (RNs) are tools to model diverse biological phenomena characterized by particle systems, when there are abundant number of particles. Examples include but are not limited to biochemistry, molecular biology,…

Molecular Networks · Quantitative Biology 2021-07-22 Carsten Wiuf , Chuang Xu

We analyze the solutions, on single network instances, of a recently introduced class of constraint-satisfaction problems (CSPs), describing feasible steady states of chemical reaction networks. First, we show that the CSPs generalize the…

Molecular Networks · Quantitative Biology 2014-03-05 Alessandro Seganti , Federico Ricci-Tersenghi , Andrea De Martino