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A new Markov Chain Monte Carlo method for simulating the dynamics of molecular systems characterized by hard-core interactions is introduced. In contrast to traditional Kinetic Monte Carlo approaches, where the state of the system is…

Computational Physics · Physics 2017-02-07 Liborio I. Costa

In a stable matching setting, we consider a query model that allows for an interactive learning algorithm to make precisely one type of query: proposing a matching, the response to which is either that the proposed matching is stable, or a…

Computer Science and Game Theory · Computer Science 2020-09-22 Ehsan Emamjomeh-Zadeh , Yannai A. Gonczarowski , David Kempe

We consider reinforcement learning in changing Markov Decision Processes where both the state-transition probabilities and the reward functions may vary over time. For this problem setting, we propose an algorithm using a sliding window…

Machine Learning · Computer Science 2018-05-28 Pratik Gajane , Ronald Ortner , Peter Auer

Understanding mechanisms of rare but important events in complex molecular systems, such as protein folding or ligand (un)binding, requires accurately mapping transition paths from an initial to a final state. The committor is the ideal…

Chemical Physics · Physics 2026-04-28 Rik S. Breebaart , Gianmarco Lazzeri , Roberto Covino , Peter G. Bolhuis

This thesis considers sequential decision problems, where the loss/reward incurred by selecting an action may not be inferred from observed feedback. A major part of this thesis focuses on the unsupervised sequential selection problem,…

Machine Learning · Computer Science 2022-12-23 Arun Verma

We study an atomic signaling game under stochastic evolutionary dynamics. There is a finite number of players who repeatedly update from a finite number of available languages/signaling strategies. Players imitate the most fit agents with…

Probability · Mathematics 2013-12-23 Michael J. Fox , Behrouz Touri , Jeff S. Shamma

We introduce the stochastic Network-Iterated Prisoner's Dilemma (NIPD) model, a network of players playing the Prisoner's Dilemma with their neighbours, each with a memory-one strategy which they constantly and locally update to improve…

Physics and Society · Physics 2022-11-30 Martín Soto Quintanilla

Resistance switching memory cells such as electrochemical metallization cells and valence change mechanism cells have the potential to revolutionize information processing and storage. However, the creation of deterministic resistance…

Mesoscale and Nanoscale Physics · Physics 2023-10-03 V. A. Slipko , Y. V. Pershin

Many biological, physical, and social interactions have a particular dependence on where they take place. In living cells, protein movement between the nucleus and cytoplasm affects cellular response (i.e., proteins must be present in the…

Molecular Networks · Quantitative Biology 2012-10-11 Heather A. Harrington , Elisenda Feliu , Carsten Wiuf , Michael M. P. Stumpf

We study the effects of fast spatial movement of molecules on the dynamics of chemical species in a spatially heterogeneous chemical reaction network using a compartment model. The reaction networks we consider are either single- or…

Probability · Mathematics 2015-10-27 Peter Pfaffelhuber , Lea Popovic

These are lecture notes of a course that I gave to people doing research for their Ph.D. thesis in theoretical chemistry or spectroscopy. The course was given on December 9-13, 2002, in Han-sur-Lesse, Belgium. The lecture notes start with…

Statistical Mechanics · Physics 2007-05-23 A. P. J. Jansen

In recent years, kinetic equations have been used to model many social phenomena. A key feature of these models is that transition rate kernels involve Dirac delta functions, which capture sudden, discontinuous state changes. Here, we study…

Numerical Analysis · Mathematics 2025-12-12 Yassin Bahid , Eduardo Corona , Nancy Rodriguez

In this work we propose a quantum version of a generalized Monty Hall game, that is, one in which the parameters of the game are left free, and not fixed on its regular values. The developed quantum scheme is then used to study the expected…

Quantum Physics · Physics 2021-02-03 L. F. Quezada , Shi-Hai Dong

The interactions between diffusing molecules and membrane-bound receptors drive numerous cellular processes. In this work, we develop a spatial model of molecular interactions with membrane receptors by homogenizing the cell membrane and…

Quantitative Methods · Quantitative Biology 2025-01-24 Anil Cengiz , Sean D Lawley

Steady states are frequently used to investigate the long-term behaviors of (bio)-chemical systems. Recently, there has been a growing interest in network-based approaches due to their efficiency in deriving parametrizations of positive…

Dynamical Systems · Mathematics 2024-04-02 Bryan S. Hernandez , Patrick Vincent N. Lubenia

With potential relevance to biomechanics, an interesting problem in statistical mechanics not previously solved is a binary mechanical model system. Discrete chemical states of proteins are often associated with discrete metastable…

Statistical Mechanics · Physics 2025-01-22 Josh E. Baker

In real-world scenarios, individuals often cooperate for mutual benefit. However, differences in wealth can lead to varying outcomes for similar actions. In complex social networks, individuals' choices are also influenced by their…

Physics and Society · Physics 2024-07-08 Yunhao Ding , Chunyan Zhang , Jianlei Zhang

The iterated prisoner's dilemma is a game that produces many counter-intuitive and complex behaviors in a social environment, based on very simple basic rules. It illustrates that cooperation can be a good thing even in a competitive world,…

Computer Science and Game Theory · Computer Science 2020-09-07 Robert Prentner

Enzyme kinetics has historically been described by deterministic models, with the Michaelis-Menten (MM) equation serving as a paradigm. However, recent experimental and theoretical advances have made it clear that stochastic fluctuations,…

Molecular Networks · Quantitative Biology 2025-04-08 Jiaji Qu , Malini Rajbhandari

The use of mathematical methods for the analysis of chemical reaction systems has a very long history, and involves many types of models: deterministic versus stochastic, continuous versus discrete, and homogeneous versus spatially…

Molecular Networks · Quantitative Biology 2018-05-29 Polly Y. Yu , Gheorghe Craciun