Maximum Caliber: a general variational principle for dynamical systems
arXiv:1711.03450 · doi:10.1063/1.5012990
Abstract
We review here {\it Maximum Caliber} (Max Cal), a general variational principle for inferring distributions of paths in dynamical processes and networks. Max Cal is to dynamical trajectories what the principle of {\it Maximum Entropy} (Max Ent) is to equilibrium states or stationary populations. In Max Cal, you maximize a path entropy over all possible pathways, subject to dynamical constraints, in order to predict relative path weights. Many well-known relationships of Non-Equilibrium Statistical Physics -- such as the Green-Kubo fluctuation-dissipation relations, Onsager's reciprocal relations, and Prigogine's Minimum Entropy Production -- are limited to near-equilibrium processes. Max Cal is more general. While it can readily derive these results under those limits, Max Cal is also applicable far from equilibrium. We give recent examples of MaxCal as a method of inference about trajectory distributions from limited data, finding reaction coordinates in bio-molecular simulations, and modeling the complex dynamics of non-thermal systems such as gene regulatory networks or the collective firing of neurons. We also survey its basis in principle, and some limitations.
References in corpus (32)
- A nonequilibrium equality for free energy differences
- Stochastic thermodynamics, fluctuation theorems, and molecular machines
- Weak pairwise correlations imply strongly correlated network states in a neural population
- Dynamical Ensembles in Nonequilibrium Statistical Mechanics
- Entropy production along a stochastic trajectory and an integral fluctuation theorem
- A Gallavotti-Cohen Type Symmetry in the Large Deviation Functional for Stochastic Dynamics
- Dynamical ensembles in stationary states
- The Nonequilibrium Thermodynamics of Small Systems
- Stochastic thermodynamics: Principles and perspectives
- The Fluctuation Theorem as a Gibbs Property
- Maximum entropy models for antibody diversity
- Work and information processing in a solvable model of Maxwell's demon
- Caliber based spectral gap optimization of order parameters (SGOOP) for sampling complex molecular systems
- Fluctuation Theorem with Information Exchange: Role of Correlations in Stochastic Thermodynamics
- Maximum Entropy and Bayesian Data Analysis: Entropic Priors
- Nonuniversal power law scaling in the probability distribution of scientific citations
- Teaching the Principles of Statistical Dynamics
- A maximum entropy framework for non-exponential distributions
- Large-deviation principles, stochastic effective actions, path entropies, and the structure and meaning of thermodynamic descriptions
- Markov processes follow from the principle of Maximum Caliber
- Non-equilibrium steady states : maximization of the Shannon entropy associated to the distribution of dynamical trajectories in the presence of constraints
- Predicting reaction coordinates in energy landscapes with diffusion anisotropy
- How wet should be the reaction coordinate for ligand unbinding?
- A derivation of the master equation from path entropy maximization
- A maximum entropy thermodynamics of small systems
- Maximum caliber is a general variational principle for nonequilibrium statistical mechanics
- Quantifying extrinsic noise in gene expression using the maximum entropy framework
- Beyond the Boltzmann factor for corrections to scaling in ferromagnetic materials and critical fluids
- Stationary properties of maximum entropy random walks
- Fluctuation-theory constraint for extensive entropy in Monte-Carlo simulations
- Absence of dissipation in trajectory ensembles biased by currents
- Mini-grand canonical ensemble: chemical potential in the solvation shell
Cited by in corpus (28)
- The Statistical Physics of Real-World Networks
- Low rattling: A predictive principle for self-organization in active collectives
- Diversity of information pathways drives scaling and sparsity in real-world networks
- What do we mean by the dimensionality of behavior?
- Dynamical reweighting methods for Markov models
- Path sampling of recurrent neural networks by incorporating known physics
- Reaction coordinates and rate constants for liquid droplet nucleation: quantifying the interplay between driving force and memory
- Maximum diffusion reinforcement learning
- An implementation of the maximum-caliber principle by replica-averaged time-resolved restrained simulations
- Path probability ratios for Langevin dynamics -- exact and approximate
- Entropy production rate as a criterion for inconsistency in decision theory
- Efficiency of one-dimensional active transport conditioned on motility
- TMI: Thermodynamic inference of data manifolds
- Modeling of biomolecular machines in non-equilibrium steady states
- Inferring a network from dynamical signals at its nodes
- Stochastic thermodynamics and fluctuation theorems for non-linear systems
- Microscopic reweighting for non-equilibrium steady states dynamics
- A Worked Example of the Bayesian Mechanics of Classical Objects
- Minimal constraints for Maximum Caliber analysis of dissipative steady state systems
- Reweighting non-equilibrium steady-state dynamics along collective variables
- Thermodynamics of chaotic relaxation processes
- Correspondence between temporal correlations in time series, inverse problems, and the Spherical Model
- Non-Equilibrium Statistical Physics Beyond the Ideal Heat Bath Approximation
- Treating random sequential addition via the replica method
- Generalized free energy and excess/housekeeping decomposition in nonequilibrium systems: from large deviations to thermodynamic speed limits
- Inverse problem in the conditioning of Markov processes on trajectory observables : what canonical conditionings can connect two given Markov generators ?
- Introducing user-prescribed constraints in Markov chains for nonlinear dimensionality reduction
- Dynamic maximum entropy provides accurate approximation of structured population dynamics