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Bistability plays a central role in the gene regulatory networks (GRNs) controlling many essential biological functions, including cellular differentiation and cell cycle control. However, establishing the network topologies that can…

Molecular Networks · Quantitative Biology 2015-03-19 Dan Siegal-Gaskins , Maria Katherine Mejia-Guerra , Gregory D. Smith , Erich Grotewold

We introduce a class of convolutional neural networks (CNNs) that utilize recurrent neural networks (RNNs) as convolution filters. A convolution filter is typically implemented as a linear affine transformation followed by a non-linear…

Computation and Language · Computer Science 2018-08-29 Yi Yang

Are deep convolutional neural networks (CNNs) for image classification explainable by utility maximization with information acquisition costs? We demonstrate that deep CNNs behave equivalently (in terms of necessary and sufficient…

Machine Learning · Computer Science 2021-08-03 Kunal Pattanayak , Vikram Krishnamurthy

In complex molecular systems, the reaction coordinate (RC) that characterizes transition pathways is essential to understand underlying molecular mechanisms. This review surveys a framework for identifying the RC by applying deep learning…

Chemical Physics · Physics 2026-03-27 Toshifumi Mori , Kei-ichi Okazaki , Kang Kim , Nobuyuki Matubayasi

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

The ability of a chemical reaction network to generate itself by catalyzed reactions from constantly present environmental food sources is considered a fundamental property in origin-of-life research. Based on Kaufmann's autocatalytic sets,…

Molecular Networks · Quantitative Biology 2023-08-16 Dimitri Loutchko

Predicting stochastic cellular dynamics as emerging from the mechanistic models of molecular interactions is a long-standing challenge in systems biology: low-level chemical reaction network (CRN) models give raise to a highly-dimensional…

Molecular Networks · Quantitative Biology 2020-02-06 Tatjana Petrov , Denis Repin

We propose a direct optimization framework for learning reduced and sparse chemical reaction networks (CRNs) from time-series trajectory data. In contrast to widely used indirect methods-such as those based on sparse identification of…

Molecular Networks · Quantitative Biology 2025-08-27 Maurice Filo , Mustafa Khammash

This paper concerns algorithms that give correct answers with (asymptotic) density $1$. A dense description of a function $g : \omega \to \omega$ is a partial function $f$ on $\omega$ such that $\left\{n : f(n) = g(n)\right\}$ has density…

Logic · Mathematics 2018-11-20 Eric P. Astor , Denis R. Hirschfeldt , Carl G. Jockusch

Deep structured output learning shows great promise in tasks like semantic image segmentation. We proffer a new, efficient deep structured model learning scheme, in which we show how deep Convolutional Neural Networks (CNNs) can be used to…

Computer Vision and Pattern Recognition · Computer Science 2015-09-09 Guosheng Lin , Chunhua Shen , Ian Reid , Anton van den Hengel

Chemical Reaction Neural Networks (CRNNs) have emerged as an interpretable machine learning framework for discovering reaction kinetics directly from data, while strictly adhering to the Arrhenius and mass action laws. However, standard…

Chemical Physics · Physics 2026-05-15 Benjamin C. Koenig , Sili Deng

Convolutional Neural Network (CNN) is one of the most important architectures in deep learning. The fundamental building block of a CNN is a trainable filter, represented as a discrete grid, used to perform convolution on discrete input…

Machine Learning · Computer Science 2023-05-26 Dario Coscia , Laura Meneghetti , Nicola Demo , Giovanni Stabile , Gianluigi Rozza

The reasonable definition of semantic interpretability presents the core challenge in explainable AI. This paper proposes a method to modify a traditional convolutional neural network (CNN) into an interpretable compositional CNN, in order…

Computer Vision and Pattern Recognition · Computer Science 2021-07-12 Wen Shen , Zhihua Wei , Shikun Huang , Binbin Zhang , Jiaqi Fan , Ping Zhao , Quanshi Zhang

In this paper we study a class of stochastic chemical reaction networks (CRNs) for which chemical species are created by a sequence of chain reactions. We prove that under some convenient conditions on the initial state, some of these…

Probability · Mathematics 2024-06-19 Lucie Laurence , Philippe Robert

We define catalytic networks as chemical reaction networks with an essentially catalytic reaction pathway: one which is on in the presence of certain catalysts and off in their absence. We show that examples of catalytic networks include…

Molecular Networks · Quantitative Biology 2011-11-18 Manoj Gopalkrishnan

A numerically effective procedure for determining weakly reversible chemical reaction networks that are linearly conjugate to a known reaction network is proposed in this paper. The method is based on translating the structural and…

Dynamical Systems · Mathematics 2014-07-15 Matthew D. Johnston , David Siegel , Gábor Szederkényi

Circuits of biological neurons, such as in the functional parts of the brain can be modeled as networks of coupled oscillators. Inspired by the ability of these systems to express a rich set of outputs while keeping (gradients of) state…

Machine Learning · Computer Science 2021-03-16 T. Konstantin Rusch , Siddhartha Mishra

Exact results for product-form stationary distributions of Markov chains are of interest in different fields. In stochastic reaction networks (CRNs), stationary distributions are mostly known in special cases where they are of product-form.…

Probability · Mathematics 2021-12-07 Beatriz Pascual-Escudero , Linard Hoessly

In this essay, we investigate some relations between Chemical Reaction Networks (CRN) and Mathematical Epidemiology (ME) and report on several pleasant surprises which we had simply by putting these two topics together. Firstly, we propose…

Molecular Networks · Quantitative Biology 2025-05-22 Florin Avram , Rim Adenane , Andrei D. Halanay , Matthew D. Johnston

Despite great recent advances achieved by deep neural networks (DNNs), they are often vulnerable to adversarial attacks. Intensive research efforts have been made to improve the robustness of DNNs; however, most empirical defenses can be…

Machine Learning · Computer Science 2023-01-02 Jiawei Zhang , Linyi Li , Ce Zhang , Bo Li