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Chemical reaction mechanisms are the foundation of how chemists evaluate reactivity and feasibility, yet current Computer-Assisted Synthesis Planning (CASP) systems operate without this mechanistic reasoning. We introduce a computational…

Machine Learning · Computer Science 2026-04-20 Théo A. Neukomm , Zlatko Jončev , Philippe Schwaller

We describe a large class of chemical reaction networks, those endowed with a subtle structural property called concordance. We show that the class of concordant networks coincides precisely with the class of networks which, when taken with…

Molecular Networks · Quantitative Biology 2011-09-15 Guy Shinar , Martin Feinberg

There exist several methods for simulating biological and physical systems as represented by chemical reaction networks. Systems with low numbers of particles are frequently modelled as discrete-state Markov jump processes and are typically…

Quantitative Methods · Quantitative Biology 2022-10-24 Joshua C. Kynaston , Christian A Yates , Anna Hekkink , Chris Guiver

A modified spatial prisoner's dilemma game with voluntary participation in Newman-Watts small-world networks is studied. Some reasonable ingredients are introduced to the game evolutionary dynamics: each agent in the network is a pure…

Statistical Mechanics · Physics 2009-11-11 Zhi-Xi Wu , Xin-Jian Xu , Yong chen , Ying-Hai Wang

We introduce the dependent doors problem as an abstraction for situations in which one must perform a sequence of possibly dependent decisions, without receiving feedback information on the effectiveness of previously made actions.…

Artificial Intelligence · Computer Science 2017-04-21 Amos Korman , Yoav Rodeh

Robot policies need to adapt to human preferences and/or new environments. Human experts may have the domain knowledge required to help robots achieve this adaptation. However, existing works often require costly offline re-training on…

Machine Learning · Computer Science 2023-02-28 Vivek Myers , Erdem Bıyık , Dorsa Sadigh

We use replicator dynamics to study an iterated prisoners' dilemma game with memory. In this study, we investigate the characteristics of all 32 possible strategies with a single-step memory by observing the results when each strategy…

Physics and Society · Physics 2014-03-06 Young Jin Kim , Myungkyoon Roh , Seung-Woo Son

To understand the chirality selection in the biological organic system, a simple lattice model of chemical reaction with molecular diffusion is proposed and studied by Monte Carlo simulations. In addition to a simple stochastic process of…

Chemical Physics · Physics 2007-07-20 Yukio Saito , Hiroyuki Hyuga

The predictive ability of stochastic chemical reactions is currently limited by the lack of closed form solutions to the governing chemical master equation. To overcome this limitation, this paper proposes a computational method capable of…

Quantitative Methods · Quantitative Biology 2019-01-08 Yuta Sakurai , Yutaka Hori

A version of the Monty Hall problem is presented where the players are permitted to select quantum strategies. If the initial state involves no entanglement the Nash equilibrium in the quantum game offers the players nothing more than can…

Quantum Physics · Physics 2009-11-07 Adrian P. Flitney , Derek Abbott

Mass action systems capture chemical reaction networks in homogeneous and dilute solutions. We suggest a notion of generalized mass action systems that admits arbitrary nonnegative power-law rate functions and serves as a more realistic…

Dynamical Systems · Mathematics 2013-08-15 Stefan Müller , Georg Regensburger

If we give a robot the task of moving an object from its current position to another location in an unknown environment, the robot must explore the map, identify all types of obstacles, and then determine the best route to complete the…

Robotics · Computer Science 2022-08-22 Saeid Alirezazadeh , Luís A. Alexandre

Post-transductional modifications tune the functions of proteins and regulate the collective dynamics of biochemical networks that determine how cells respond to environmental signals. For example, protein phosphorylation and nitrosylation…

Cell Behavior · Quantitative Biology 2009-11-13 Roberto Chignola , Chiara Dalla Pellegrina , Alessio Del Fabbro , Edoardo Milotti

In recent years, agents have become capable of communicating seamlessly via natural language and navigating in environments that involve cooperation and competition, a fact that can introduce social dilemmas. Due to the interleaving of…

Artificial Intelligence · Computer Science 2025-01-28 Maayan Orner , Oleg Maksimov , Akiva Kleinerman , Charles Ortiz , Sarit Kraus

Here we present a combinatorial decision problem, inspired by the celebrated quiz show called the countdown, that involves the computation of a given target number T from a set of k randomly chosen integers along with a set of arithmetic…

Statistical Mechanics · Physics 2015-06-05 Lucas Lacasa , Bartolo Luque

The Michaelis-Menten enzymatic reaction is sufficient to perceive many subtleties of network modeling, including the concentration and time scales separations, the formal equivalence between bulk phase and single-molecule approaches, or the…

Chemical Physics · Physics 2022-01-03 Denis Michel , Philippe Ruelle

We consider a simple decision model in which a set of agents randomly choose one of two competing shops selling the same perishable products (typically food). The satisfaction of agents with respect to a given store is related to the…

Physics and Society · Physics 2011-06-21 Gaultier Lambert , Guillaume Chevereau , Eric Bertin

In the stochastic formulation of chemical kinetics, the stationary moments of the population count of species can be described via a set of linear equations. However, except for some specific cases such as systems with linear reaction…

Quantitative Methods · Quantitative Biology 2017-01-02 Khem Raj Ghusinga , Cesar A. Vargas-Garcia , Andrew Lamperski , Abhyudai Singh

The locker puzzle is a game played by multiple players against a referee. It has been previously shown that the best strategy that exists cannot succeed with probability greater than 1-ln2 \approx 0.31, no matter how many players are…

Quantum Physics · Physics 2012-02-22 David Avis , Anne Broadbent

Stochastic modeling of transcription is a classic yet long-standing problem in theoretical biophysics. The lack of unified results and a computationally efficient approach for a general, fine-grained transcription model has confined…

Biological Physics · Physics 2025-11-17 Yuntao Lu , Yunxin Zhang
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