Litcius/Paper detail

The Maximum Caliber Variational Principle for Nonequilibria

Kingshuk Ghosh, Purushottam D. Dixit, Luca Agozzino, Ken A. Dill

2020Annual Review of Physical Chemistry81 citationsDOIOpen Access PDF

Abstract

Ever since Clausius in 1865 and Boltzmann in 1877, the concepts of entropy and of its maximization have been the foundations for predicting how material equilibria derive from microscopic properties. But, despite much work, there has been no equally satisfactory general variational principle for nonequilibrium situations. However, in 1980, a new avenue was opened by E.T. Jaynes and by Shore and Johnson. We review here maximum caliber, which is a maximum-entropy-like principle that can infer distributions of flows over pathways, given dynamical constraints. This approach is providing new insights, particularly into few-particle complex systems, such as gene circuits, protein conformational reaction coordinates, network traffic, bird flocking, cell motility, and neuronal firing.

Topics & Concepts

Non-equilibrium thermodynamicsStatistical physicsBoltzmann constantVariational principlePrinciple of maximum entropyMaximizationPhysicsEntropy (arrow of time)Entropy maximizationMaxwell's demonClassical mechanicsComputer scienceMathematicsMathematical optimizationThermodynamicsArtificial intelligenceGene Regulatory Network AnalysisAdvanced Thermodynamics and Statistical MechanicsEvolution and Genetic Dynamics