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Rule-based modelling allows to represent molecular interactions in a compact and natural way. The underlying molecular dynamics, by the laws of stochastic chemical kinetics, behaves as a continuous-time Markov chain. However, this Markov…

Other Computer Science · Computer Science 2018-12-27 Tatjana Petrov

Probabilistic inference provides a language for describing how organisms may learn from and adapt to their environment. The computations needed to implement probabilistic inference often require specific representations, akin to having the…

Molecular Networks · Quantitative Biology 2018-06-28 Yarden Katz , Michael Springer , Walter Fontana

We introduce a sound and complete coinductive proof system for reachability properties in transition systems generated by logically constrained term rewriting rules over an order-sorted signature modulo builtins. A key feature of the…

Logic in Computer Science · Computer Science 2018-04-24 Ştefan Ciobâcă , Dorel Lucanu

A comprehensive description of molecular electron transfer reactions is essential for our understanding of fundamental phenomena in bio-energetics and molecular electronics. Experimental studies of molecular systems in condensed-phase…

Quantum Physics · Physics 2021-02-04 Frank Schlawin , Manuel Gessner , Andreas Buchleitner , Tobias Schaetz , Spiros S Skourtis

We consider a continuous-time Markov chain (CTMC) whose state space is partitioned into aggregates, and each aggregate is assigned a probability measure. A sufficient condition for defining a CTMC over the aggregates is presented as a…

Discrete Mathematics · Computer Science 2013-03-21 Arnab Ganguly , Tatjana Petrov , Heinz Koeppl

Stochastic embedding transitions introduce a probabilistic mechanism for adjusting token representations dynamically during inference, mitigating the constraints imposed through static or deterministic embeddings. A transition framework was…

Computation and Language · Computer Science 2025-08-11 Stefan Whitaker , Colin Sisate , Marcel Windsor , Nikolai Fairweather , Tarquin Goldborough , Oskar Lindenfeld

Quantum simulation has begun to penetrate the field of quantum chemistry in hopes of efficiently calculating ground state energies and approximating real-time evolution. With modern research highlighting nonadiabatic dynamics, tunably…

Quantum Physics · Physics 2026-05-08 Joshua M. Courtney , P. C. Stancil

Multisite phosphorylation plays an important role in intracellular signaling. There has been much recent work aimed at understanding the dynamics of such systems when the phosphorylation/dephosphorylation mechanism is distributive, that is,…

Molecular Networks · Quantitative Biology 2014-10-23 Carsten Conradi , Anne Shiu

Model reduction of Markov processes is a basic problem in modeling state-transition systems. Motivated by the state aggregation approach rooted in control theory, we study the statistical state compression of a discrete-state Markov chain…

Machine Learning · Statistics 2019-11-26 Anru Zhang , Mengdi Wang

Linear implication can represent state transitions, but real transition systems operate under temporal, stochastic or probabilistic constraints that are not directly representable in ordinary linear logic. We propose a general modal…

Logic in Computer Science · Computer Science 2013-10-17 Kaustuv Chaudhuri , Joelle Despeyroux

Using the fact that any linear representation of a group can be embedded into permutations, we propose a constructive description of quantum behavior that provides, in particular, a natural explanation of the appearance of complex numbers…

Quantum Physics · Physics 2016-03-24 Vladimir V. Kornyak

We introduce a logic for knowledge representation and reasoning on protein-protein interactions. Modulo a theory, formulas describe protein structures and dynamic changes. They can be composed in order to add or remove static and dynamic…

Logic in Computer Science · Computer Science 2019-09-19 Adrien Husson , Jean Krivine

The study of cellular signalling pathways and their deregulation in disease states, such as cancer, is a large and extremely complex task. Indeed, these systems involve many parts and processes but are studied piecewise and their…

Artificial Intelligence · Computer Science 2016-08-22 Adrien Basso-Blandin , Walter Fontana , Russ Harmer

Finite stochastic Markov models play a major role for modelling biochemical pathways. Such models are a coarse-grained description of the underlying microscopic dynamics and can be considered mesoscopic. The level of coarse-graining is to a…

Biological Physics · Physics 2012-06-05 Bernhard Altaner , Jürgen Vollmer

A conditional entropic approach is discussed for nonequilibrium complex systems with a weak correlation between spatiotemporally fluctuating quantities on a large time scale. The weak correlation is found to constitute the fluctuation…

Statistical Mechanics · Physics 2023-04-04 Yuichi Itto

Detecting broken time-reversibility at micro- and nanoscale is often difficult when experiments offer limited state resolution. We introduce a lumping method that builds an effective semi-Markov model able to reproduce exactly the full…

Statistical Mechanics · Physics 2025-12-16 Gianluca Teza , Attilio L. Stella , Trevor GrandPre

Stochastic methods offer an effective way to suppress coherent errors in quantum simulation. In particular, the randomized compilation protocol may reduce circuit depth by randomly sampling Hamiltonian terms rather than following the…

Quantum Physics · Physics 2026-05-15 Yu-Xia Wu , Yun-Zhuo Fan , Dan-Bo Zhang

Scaffold proteins organize cellular processes by bringing signaling molecules into interaction, sometimes by forming large signalosomes. Several of these scaffolds are known to polymerize. Their assemblies should therefore not be understood…

Quantitative Methods · Quantitative Biology 2020-03-06 Andrés Ortiz-Muñoz , Héctor F. Medina-Abarca , Walter Fontana

In a previous paper the authors applied the Abstract Interpretation approach for approximating the probabilistic semantics of biological systems, modeled specifically using the Chemical Ground Form calculus. The methodology is based on the…

Logic in Computer Science · Computer Science 2009-12-01 Roberta Gori , Francesca Levi

Genetic switch systems with mutual repression of two transcription factors are studied using deterministic methods (rate equations) and stochastic methods (the master equation and Monte Carlo simulations). These systems exhibit bistability,…

Molecular Networks · Quantitative Biology 2007-05-23 Adiel Loinger , Azi Lipshtat , Nathalie Q. Balaban , Ofer Biham
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