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Motivated by the pressing challenges in the digital twin development for biomanufacturing systems, we introduce an adjoint sensitivity analysis (SA) approach to expedite the learning of mechanistic model parameters. In this paper, we…

Molecular Networks · Quantitative Biology 2024-07-02 Keilung Choy , Wei Xie

Open chemical reaction systems involve matter-exchange with the surroundings. As a result, species can accumulate inside a system during the course of the reaction. We study the role of network topology in governing the concentration…

Chemical Physics · Physics 2014-10-17 Kinshuk Banerjee , Kamal Bhattacharyya

The theoretical understanding of pattern formation in active systems remains a central problem of interest. Heterogeneous flocks made up of multiple species can exhibit a remarkable diversity of collective states that cannot be obtained…

Statistical Mechanics · Physics 2025-12-23 Eloise Lardet , Letian Chen , Thibault Bertrand

We consider a general class of autocatalytic reactions, that has been shown to display stochastically switching behaviour (Discreteness Induced Transitions) in some parameter regimes. This behaviour was shown to occur when either the…

Probability · Mathematics 2023-12-01 Cameron Gallinger , Lea Popovic

The recently introduced Theory of the Adjacent Possible (TAP) is a model of combinatorial innovation aiming to explain the "hockey-stick" upward trend of human technological evolution, where an explosion in the number of produced items with…

Populations and Evolution · Quantitative Biology 2023-09-07 M. Andrecut

We have designed a machine that becomes increasingly better at behaving in underspecified circumstances, in a goal-directed way, on the job, by modeling itself and its environment as experience accumulates. Based on principles of…

Thermodynamic aspects of chemical reactions have a long history in the Physical Chemistry literature. In particular, biochemical cycles - the building-blocks of biochemical systems - require a source of energy to function. However, although…

Quantitative Methods · Quantitative Biology 2018-08-14 Peter J. Gawthrop , Edmund J. Crampin

Self-organization is frequently observed in active collectives, from ant rafts to molecular motor assemblies. General principles describing self-organization away from equilibrium have been challenging to identify. We offer a unifying…

Traditional top-down robotic design often lacks the adaptability needed to handle real-world complexities, prompting the need for more flexible approaches. Therefore, this study introduces a novel cellular plasticity model tailored for…

Robotics · Computer Science 2024-08-13 Trevor R. Smith , Thomas J. Smith , Nicholas S. Szczecinski , Sergiy Yakovenko , Yu Gu

Organic synthesis stands as a cornerstone of the chemical industry. The development of robust machine learning models to support tasks associated with organic reactions is of significant interest. However, current methods rely on…

Machine Learning · Computer Science 2025-01-06 Kaipeng Zeng , Xianbin Liu , Yu Zhang , Xiaokang Yang , Yaohui Jin , Yanyan Xu

Many biological processes are supported by special molecules, called motor proteins or molecular motors, that transport cellular cargoes along linear protein filaments and can reversibly associate to their tracks. Stimulated by these…

Statistical Mechanics · Physics 2021-11-17 Akriti Jindal , Anatoly B. Kolomeisky , Arvind Kumar Gupta

Associative learning is one of the key mechanisms displayed by living organisms in order to adapt to their changing environments. It was early recognized to be a general trait of complex multicellular organisms but also found in "simpler"…

Cell Behavior · Quantitative Biology 2017-01-24 Javier Macia , Blai Vidiella , Ricard Sole

We develop a behavioural theory of reflective parallel algorithms (RAs), i.e. synchronous parallel algorithms that can modify their own behaviour. The theory comprises a set of postulates defining the class of RAs, an abstract machine…

Logic in Computer Science · Computer Science 2025-08-13 Klaus-Dieter Schewe , Flavio Ferrarotti

Analyzing qualitative behaviors of biochemical reactions using its associated network structure has proven useful in diverse branches of biology. As an extension of our previous work, we introduce a graph-based framework to calculate steady…

Classical Analysis and ODEs · Mathematics 2014-04-28 Inom Mirzaev , David Matthew Bortz

In this paper we introduce a formalism that allows to describe the response of a part of a biochemical system in terms of renewal equations. In particular, we examine under which conditions the interactions between the different parts of a…

Analysis of PDEs · Mathematics 2023-09-06 E. Franco , B. Kepka , J. J. L. Velázquez

Robustness of biochemical systems has become one of the central questions in Systems Biology, although it is notoriously difficult to formally capture its multifaceted nature. Maintenance of normal system function depends not only on the…

Molecular Networks · Quantitative Biology 2012-03-28 Jost Neigenfind , Sergio Grimbs , Zoran Nikoloski

Qualitative attributes of the region between order and disorder are examined to explore models of genetic and protein networks. Results show how the connectivity of vertices and the strength of their connections are related and how their…

Condensed Matter · Physics 2007-05-23 S. Bumble , F. Friedler , L. T. Fan

Bilayer membranes self-assembled from amphiphilic molecules such as lipids, surfactants and block copolymers are ubiquitous in biological and physiochemical systems. The shape and structure of bilayer membranes depend crucially on their…

Soft Condensed Matter · Physics 2016-01-20 Pingwen Zhang , An-Chang Shi

The existence of a very special ratcheting regime has recently been reported in a granular packing subjected to cyclic loading \cite{alonso04}. In this state, the system accumulates a small permanent deformation after each cycle. After a…

Materials Science · Physics 2016-08-16 R. García-Rojo , F. Alonso-Marroquín , H. J. Herrmann

To develop and investigate detailed mathematical models of cellular metabolic processes is one of the primary challenges in systems biology. However, despite considerable advance in the topological analysis of metabolic networks, explicit…

Molecular Networks · Quantitative Biology 2007-05-23 Ralf Steuer , Thilo Gross , Joachim Selbig , Bernd Blasius