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There is a growing trend in molecular and synthetic biology of using mechanistic (non machine learning) models to design biomolecular networks. Once designed, these networks need to be validated by experimental results to ensure the…

Quantitative Methods · Quantitative Biology 2020-11-26 Ruby Sedgwick , John Goertz , Molly Stevens , Ruth Misener , Mark van der Wilk

Time scale separation is a natural property of many control systems that can be ex- ploited, theoretically and numerically. We present a numerical scheme to solve optimal control problems with considerable time scale separation that is…

Optimization and Control · Mathematics 2013-02-08 Dirk Lebiedz , Marcel Rehberg

We discuss a method to describe the qualitative dynamics of chemical reaction networks in terms of symbolic dynamics. The method, that can be applied to mass-action reaction networks with separated timescales, uses solutions of the partial…

Molecular Networks · Quantitative Biology 2022-05-17 Aurélien Desoeuvres , Peter Szmolyan , Ovidiu Radulescu

Multivariate Poisson random variables subject to linear integer constraints arise in several application areas, such as queuing and biomolecular networks. This note shows how to compute conditional statistics in this context, by employing…

Probability · Mathematics 2009-06-08 Eduardo Sontag , Doron Zeilberger

The sheer amounts of biological data that are generated in recent years have driven the development of network analysis tools to facilitate the interpretation and representation of these data. A fundamental challenge in this domain is the…

Quantitative Methods · Quantitative Biology 2013-07-31 Arnon Mazza , Irit Gat-Viks , Hesso Farhan , Roded Sharan

The connection between network topology and stability remains unclear. General approaches that clarify this relationship and allow for more efficient stability analysis would be desirable. Inspired by chemical reaction networks, I…

Chaotic Dynamics · Physics 2013-09-27 Ali Kinkhabwala

Network graphs have become a popular tool to represent complex systems composed of many interacting subunits; especially in neuroscience, network graphs are increasingly used to represent and analyze functional interactions between neural…

Information Theory · Computer Science 2015-11-24 Patricia Wollstadt , Ulrich Meyer , Michael Wibral

Molecular circuits capable of autonomous learning could unlock novel applications in fields such as bioengineering and synthetic biology. To this end, existing chemical implementations of neural computing have mainly relied on emulating…

Machine Learning · Computer Science 2025-09-23 Rajiv Teja Nagipogu , John H. Reif

Exoplanet atmospheric modeling is advancing from chemically diverse one-dimensional (1D) models to three-dimensional (3D) global circulation models (GCMs), which are crucial for interpreting observations from facilities like the James Webb…

Earth and Planetary Astrophysics · Physics 2024-12-06 A. Lira-Barria , J. N. Harvey , T. Konings , R. Baeyens , C. Henríquez , L. Decin , O. Venot , R. Veillet

Bilinear matrix inequality (BMI) problems in system and control designs are investigated in this paper. A solution method of reduction of variables (MRVs) is proposed. This method consists of a principle of variable classification, a…

Systems and Control · Electrical Eng. & Systems 2026-01-16 Wei-Yu Chiu

In this work we present new scalable, information theory-based variational methods for the efficient model reduction of high-dimensional deterministic and stochastic reaction networks. The proposed methodology combines, (a) information…

Numerical Analysis · Mathematics 2019-10-10 Markos A. Katsoulakis , Pedro Vilanova

Due to the intrinsic complexity and nonlinearity of chemical reactions, direct applications of traditional machine learning algorithms may face with many difficulties. In this study, through two concrete examples with biological background,…

Molecular Networks · Quantitative Biology 2020-06-02 Wuyue Yang , Liangrong Peng , Yi Zhu , Liu Hong

We present a quantum algorithm that analyzes time series data simulated by a quantum differential equation solver. The proposed algorithm is a quantum version of the dynamic mode decomposition algorithm used in diverse fields such as fluid…

Quantum Physics · Physics 2024-10-17 Yuta Mizuno , Tamiki Komatsuzaki

We develop a mathematical and numerical framework to solve state estimation problems for applications that present variations in the shape of the spatial domain. This situation arises typically in a biomedical context where inverse problems…

Numerical Analysis · Mathematics 2023-03-14 Felipe Galarce , Damiano Lombardi , Olga Mula

Many systems in biology, physics and engineering can be described by systems of ordinary differential equation containing many parameters. When studying the dynamic behavior of these large, nonlinear systems, it is useful to identify and…

Molecular Networks · Quantitative Biology 2016-04-13 Heather A. Harrington , Dhagash Mehta , Helen M. Byrne , Jonathan D. Hauenstein

Due to the complexity of the space of quantum many-body states the computation of expectation values by statistical sampling is, in general, a hard task. Neural network representations of such quantum states which can be physically…

Quantum Physics · Physics 2019-12-04 Stefanie Czischek , Jan M. Pawlowski , Thomas Gasenzer , Martin Gärttner

Metabolic networks, formed by a series of metabolic pathways, are made of intracellular and extracellular reactions that determine the biochemical properties of a cell, and by a set of interactions that guide and regulate the activity of…

Logic in Computer Science · Computer Science 2020-08-24 Jean-Marc Alliot , Marta Cialdea Mayer , Robert Demolombe , Martín Diéguez , Luis Fariñas del Cerro

Neuroevolution is an alternative to gradient-based optimisation that has the potential to avoid local minima and allows parallelisation. The main limiting factor is that usually it does not scale well with parameter space dimensionality.…

Machine Learning · Computer Science 2021-04-29 Nemanja Rakicevic , Antoine Cully , Petar Kormushev

The constant increase in the complexity of data networks motivates the search for strategies that make it possible to reduce current monitoring times. This paper shows the way in which multilayer network representation and the application…

Networking and Internet Architecture · Computer Science 2021-06-08 Luz Angela Aristizábal Q , Nicolás Toro G

We define a subclass of Chemical Reaction Networks called Post-Translational Modification systems. Important biological examples of such systems include MAPK cascades and two-component systems which are well-studied experimentally as well…

Molecular Networks · Quantitative Biology 2011-07-19 Elisenda Feliu , Carsten Wiuf