English
Related papers

Related papers: Reactmine: a statistical search algorithm for infe…

200 papers

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

Sparse regression has emerged as a popular technique for learning dynamical systems from temporal data, beginning with the SINDy (Sparse Identification of Nonlinear Dynamics) framework proposed by arXiv:1509.03580. Quantifying the…

Methodology · Statistics 2023-08-21 Sara Venkatraman , Sumanta Basu , Martin T. Wells

Timing is of fundamental importance in biology and our life. Borrowing ideas from mechanism, we map our clock signals onto a gear system, in pursuit of better depiction of a clock signal implemented with chemical reaction networks (CRNs).…

Molecular Networks · Quantitative Biology 2018-02-23 Chuan Zhang , Lulu Ge , Xiaohu You

Estimating rate coefficients from complex chemical reactions is essential for advancing detailed chemistry. However, the stiffness inherent in real-world atmospheric chemistry systems poses severe challenges, leading to training instability…

Machine Learning · Computer Science 2025-09-01 Wenqing Peng , Zhi-Song Liu , Michael Boy

High-throughput data acquisition in synthetic biology leads to an abundance of data that need to be processed and aggregated into useful biological models. Building dynamical models based on this wealth of data is of paramount importance to…

Systems and Control · Computer Science 2018-09-25 Zoltan A. Tuza , Guy-Bart Stan

Chemical reaction networks (CRN) comprise an important class of models to understand biological functions such as cellular information processing, the robustness and control of metabolic pathways, circadian rhythms, and many more. However,…

Molecular Networks · Quantitative Biology 2025-03-25 Dimitri Loutchko , Yuki Sughiyama , Tetsuya J. Kobayashi

Understanding the emergent behavior of chemical reaction networks (CRNs) is a fundamental aspect of biology and its origin from inanimate matter. A closed CRN monotonically tends to thermal equilibrium, but when it is opened to external…

Molecular Networks · Quantitative Biology 2024-05-16 Masanari Shimada , Pegah Behrad , Eric De Giuli

The online estimation of the derivative of an input signal is widespread in control theory and engineering. In the realm of chemical reaction networks (CRN), this raises however a number of specific issues on the different ways to achieve…

Quantitative Methods · Quantitative Biology 2023-07-11 Mathieu Hemery , François Fages

Chemical reactor networks (CRNs) enable simulations of combustion reactors with detailed chemical kinetics and strongly simplified flow structure. In this paper, the implementation of a reactor component with less idealized flow structure,…

Fluid Dynamics · Physics 2023-05-22 Lisanne Gossel , Mathis Fricke , Dieter Bothe

Networks are a unifying framework for modeling complex systems and network inference problems are frequently encountered in many fields. Here, I develop and apply a generative approach to network inference (RCweb) for the case when the…

Machine Learning · Statistics 2014-07-01 Nikolai Slavov

Biological regulatory networks depend upon chemical interactions to process information. Engineering such molecular computing systems is a major challenge for synthetic biology and related fields. The chemical reaction network (CRN) model…

Emerging Technologies · Computer Science 2020-09-23 Cameron Chalk , Niels Kornerup , Wyatt Reeves , David Soloveichik

Recent research into analog computing has introduced new notions of computing real numbers. Huang, Klinge, Lathrop, Li, and Lutz defined a notion of computing real numbers in real-time with chemical reaction networks (CRNs), introducing the…

Emerging Technologies · Computer Science 2021-09-08 Willem Fletcher , Titus H. Klinge , James I. Lathrop , Dawn A. Nye , Matthew Rayman

Molecular computation based on chemical reaction networks (CRNs) has emerged as a promising paradigm for designing programmable biochemical systems. However, the implementation of complex computations still requires excessively large and…

Molecular Networks · Quantitative Biology 2025-06-17 Renlei Jiang , Yuzhen Fan , Di Fan , Chuanhou Gao , Denis Dochain

Chemical reaction networks (CRNs) are fundamental computational models used to study the behavior of chemical reactions in well-mixed solutions. They have been used extensively to model a broad range of biological systems, and are primarily…

Molecular Networks · Quantitative Biology 2021-05-13 J. N. Mueller , J. N. Corcoran

The popularity of molecular computation has given rise to several models of abstraction, one of the more recent ones being Chemical Reaction Networks (CRNs). These are equivalent to other popular computational models, such as Vector…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-02-28 Robert M. Alaniz , Bin Fu , Timothy Gomez , Elise Grizzell , Andrew Rodriguez , Marco Rodriguez , Robert Schweller , Tim Wylie

Chemical reaction networks (CRNs) model the behavior of chemical reactions in well-mixed solutions and they can be designed to perform computations. In this tutorial we give an overview of various computational models for CRNs. Moreover, we…

Emerging Technologies · Computer Science 2018-11-27 Robert Brijder

Non-equilibrium chemistry is a key process in the study of the InterStellar Medium (ISM), in particular the formation of molecular clouds and thus stars. However, computationally it is among the most difficult tasks to include in…

Astrophysics of Galaxies · Physics 2022-12-07 Lorenzo Branca , Andrea Pallottini

We present herein an extension of an algebraic statistical method for inferring biochemical reaction networks from experimental data, proposed recently in [3]. This extension allows us to analyze reaction networks that are not necessarily…

Molecular Networks · Quantitative Biology 2009-02-26 Gheorghe Craciun , Casian Pantea , Grzegorz A. Rempala

This paper is concerned with programming adaptive linear neural networks (ALNNs) using chemical reaction networks (CRNs) equipped with mass-action kinetics. Through individually programming the forward propagation and the backpropagation of…

Dynamical Systems · Mathematics 2022-04-14 Yuzhen Fan , Xiaoyu Zhang , Chuanhou Gao

We present a data-driven verification approach that determines whether or not a given chemical reaction network (CRN) satisfies a given property, expressed as a formula in a modal logic. Our approach consists of three phases, integrating…

Computational Engineering, Finance, and Science · Computer Science 2020-04-24 Gareth W. Molyneux , Viraj B. Wijesuriya , Alessandro Abate