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Recent technological advances allow us to view chemical mass-action systems as analog computers. In this context, the inputs to a computation are encoded as initial values of certain chemical species while the outputs are the limiting…

Dynamical Systems · Mathematics 2024-11-21 David F. Anderson , Badal Joshi

We explore the class of real numbers that are computed in real time by deterministic chemical reaction networks that are integral in the sense that all their reaction rate constants are positive integers. We say that such a reaction network…

Computational Complexity · Computer Science 2018-03-29 Xiang Huang , Titus H. Klinge , James I. Lathrop , Xiaoyuan Li , Jack H. Lutz

Coupled chemical interactions in a well-mixed solution are commonly formalized as chemical reaction networks (CRNs). However, despite the widespread use of CRNs in the natural sciences, the range of computational behaviors exhibited by CRNs…

Emerging Technologies · Computer Science 2023-04-11 Ho-Lin Chen , David Doty , Wyatt Reeves , David Soloveichik

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

Transcendental functions, such as exponentials and logarithms, appear in a broad array of computational domains: from simulations in curvilinear coordinates, to interpolation, to machine learning. Unfortunately they are typically expensive…

Computational Physics · Physics 2022-06-22 Jonah M. Miller , Joshua C. Dolence , Daniel Holladay

Computers calculate transcendental functions by approximating them through the composition of a few limited-precision instructions. For example, an exponential can be calculated with a Taylor series. These approximation methods were…

Neural and Evolutionary Computing · Computer Science 2023-12-15 Esteban Real , Yao Chen , Mirko Rossini , Connal de Souza , Manav Garg , Akhil Verghese , Moritz Firsching , Quoc V. Le , Ekin Dogus Cubuk , David H. Park

The Turing completeness of continuous chemical reaction networks (CRNs) states that any computable real function can be computed by a continuous CRN on a finite set of molecular species, possibly restricted to elementary reactions, i.e.…

Molecular Networks · Quantitative Biology 2022-06-22 Mathieu Hemery , François Fages

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

Chemical reaction networks (CRNs) formally model chemistry in a well-mixed solution. CRNs are widely used to describe information processing occurring in natural cellular regulatory networks, and with upcoming advances in synthetic biology,…

Computational Complexity · Computer Science 2015-03-20 Ho-Lin Chen , David Doty , 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

We initiate the study of rate-constant-independent computation of Boolean predicates and numerical functions in the continuous model of chemical reaction networks (CRNs), which model the amount of a chemical species as a nonnegative,…

Computational Complexity · Computer Science 2025-06-10 Kim Calabrese , David Doty , Mina Latifi

We describe a method for the numerical evaluation of normalized versions of the associated Legendre functions $P_\nu^{-\mu}$ and $Q_\nu^{-\mu}$ of degrees $0 \leq \nu \leq 1,000,000$ and orders $-\nu \leq \mu \leq \nu$ on the interval…

Numerical Analysis · Mathematics 2018-04-04 James Bremer

We study the model of continuous chemical reaction networks (CRNs), consisting of reactions such as $A+B \to C+D$ that can transform some continuous, nonnegative real-valued quantity (called a *concentration*) of chemical species $A$ and…

Emerging Technologies · Computer Science 2024-11-26 Kim Calabrese , David Doty

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

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

Accurately modeling chemical reactions at the atomistic level requires high-level electronic structure theory due to the presence of unpaired electrons and the need to properly describe bond breaking and making energetics. Commonly used…

This paired article aims to develop an automated and programmable biochemical fully connected neural network (BFCNN) with solid theoretical support. In Part I, a concrete design for BFCNN is presented, along with the validation of the…

Dynamical Systems · Mathematics 2024-01-17 Yuzhen Fan , Xiaoyu Zhang , Chuanhou Gao , Denis Dochain

Chemical and biological networks can describe a wide variety of processes, from gene regulatory networks to biochemical oscillations. Modeled by chemical master equations, these processes are inherently stochastic, as fluctuations dominate…

Statistical Mechanics · Physics 2025-12-23 Schuyler B. Nicholson , Luis Pedro García-Pintos

Chemical reaction networks, or CRNs, are known to stably compute semilinear Boolean-valued predicates and functions, provided that all reactions are irreversible. However, this property does not hold for wet-lab implementations, as all…

Computational Complexity · Computer Science 2026-04-17 Ravi Kini , David Doty

Extending the work of Freese and Cook, which develop the basic theory of calculus and power series over real associative algebras, we examine what can be said about the logarithmic functions over an algebra. In particular, we find that for…

Rings and Algebras · Mathematics 2017-08-04 Nathan BeDell
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