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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

We investigate the dynamics of chemical reaction networks (CRNs) with the goal of deriving an upper bound on their reaction rates. This task is challenging due to the nonlinear nature and discrete structure inherent in CRNs. To address…

Chemical Physics · Physics 2023-09-20 Tsuyoshi Mizohata , Tetsuya J. Kobayashi , Louis-S. Bouchard , Hideyuki Miyahara

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

This study investigates the behavior of Causal Convolutional Neural Networks (CNNs) with quasi-linear activation functions when applied to time-series data characterized by multimodal frequency content. We demonstrate that, once trained,…

Machine Learning · Computer Science 2025-10-29 Kiran Bacsa , Wei Liu , Xudong Jian , Huangbin Liang , Eleni Chatzi

An important goal in visual recognition is to devise image representations that are invariant to particular transformations. In this paper, we address this goal with a new type of convolutional neural network (CNN) whose invariance is…

Computer Vision and Pattern Recognition · Computer Science 2015-01-08 Julien Mairal , Piotr Koniusz , Zaid Harchaoui , Cordelia Schmid

Living systems operate out of equilibrium, continuously consuming energy to sustain organised, functional states. Their emergent behaviour usually relies on a set of interconnected chemical reaction networks (CRNs) driven by external fluxes…

Statistical Mechanics · Physics 2026-02-03 Shiling Liang , Paolo De Los Rios , Daniel Maria Busiello

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

Convolutional neural networks (CNNs) have enabled the state-of-the-art performance in many computer vision tasks. However, little effort has been devoted to establishing convolution in non-linear space. Existing works mainly leverage on the…

Computer Vision and Pattern Recognition · Computer Science 2020-05-25 Chen Wang , Jianfei Yang , Lihua Xie , Junsong Yuan

Chemical Reaction Networks (CRNs) are a well-established model of distributed computing characterized by quantities of molecular species that can transform or change through applications of reactions. A fundamental problem in CRNs is the…

Computational Complexity · Computer Science 2026-04-21 Divya Bajaj , Bin Fu , Ryan Knobel , Austin Luchsinger , Aiden Massie , Pablo Santos , Ramiro Santos , Robert Schweller , Evan Tomai , Tim Wylie

Chemical reaction network theory is a powerful framework to describe and analyze chemical systems. While much about the concentration profile in an equilibrium state can be determined in terms of the graph structure, the overall reaction's…

Molecular Networks · Quantitative Biology 2024-02-29 Tomoharu Suda

Mathematical modelling has traditionally relied on detailed system knowledge to construct mechanistic models. However, the advent of large-scale data collection and advances in machine learning have led to an increasing use of data-driven…

Dynamical Systems · Mathematics 2025-10-17 Torkel E Loman , Ruth E Baker

This paper is concerned with the utilization of deterministically modeled chemical reaction networks for the implementation of (feed-forward) neural networks. We develop a general mathematical framework and prove that the ordinary…

Neural and Evolutionary Computing · Computer Science 2021-03-10 David F. Anderson , Badal Joshi , Abhishek Deshpande

While the field of first-principles explorations into chemical reaction space has been continuously growing, the development of strategies for analyzing resulting chemical reaction networks (CRNs) is lagging behind. A CRN consists of…

Chemical Physics · Physics 2022-12-19 Paul L. Türtscher , Markus Reiher

Step Chemical Reaction Networks (step CRNs) are an augmentation of the Chemical Reaction Network (CRN) model where additional species may be introduced to the system in a sequence of ``steps.'' We study step CRN systems using a weak subset…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-05-03 Rachel Anderson , Bin Fu , Aiden Massie , Gourab Mukhopadhyay , Adrian Salinas , Robert Schweller , Evan Tomai , Tim Wylie

Chemical reaction networks (CRNs) are directed graphs with reactant or product complexes as vertices, and reactions as arcs. A CRN is weakly reversible if each of its connected components is strongly connected. Weakly reversible networks…

Training Deep Convolutional Neural Networks (CNNs) is based on the notion of using multiple kernels and non-linearities in their subsequent activations to extract useful features. The kernels are used as general feature extractors without…

Computer Vision and Pattern Recognition · Computer Science 2020-11-13 Alexandros Stergiou , Ronald Poppe , Remco C. Veltkamp

An algorithm is given in this paper for the computation of dynamically equivalent weakly reversible realizations with the maximal number of reactions, for chemical reaction networks (CRNs) with mass action kinetics. The original problem…

Dynamical Systems · Mathematics 2011-07-05 Gabor Szederkenyi , Katalin M. Hangos , Zsolt Tuza

Clinical Named Entity Recognition (CNER) aims to identify and classify clinical terms such as diseases, symptoms, treatments, exams, and body parts in electronic health records, which is a fundamental and crucial task for clinical and…

Computation and Language · Computer Science 2018-11-28 Jiahui Qiu , Qi Wang , Yangming Zhou , Tong Ruan , Ju Gao

Through one decade's development, the kernel-based regularization method (KRM) has become a complement to the classical maximum likelihood/prediction error method and an emerging new system identification paradigm. One recent example is its…

Systems and Control · Electrical Eng. & Systems 2024-10-29 Xiaozhu Fang , Tianshi Chen

Convolutional Neural Networks (CNNs) are a class of artificial neural networks whose computational blocks use convolution, together with other linear and non-linear operations, to perform classification or regression. This paper explores…

Computer Vision and Pattern Recognition · Computer Science 2018-10-09 Victor Stamatescu , Mark D. McDonnell
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