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Authors
Chulan Kwon
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A rigorous derivation of nonequilibrium entropy production via the path-integral formalism is presented. Entropy production is defined as the entropy change piled in a heat reservoir as a result of a nonequilibrium thermodynamic process. It is a central quantity by which various forms of the fluctuation theorem are obtained. The two kinds of the stochastic dynamics are investigated: the Langevin dynamics for an even-parity state and the Brownian motion of a single particle. Mathematical ambiguities in deriving the functional form of the entropy production, which depends on path in state space, are clarified by using a rigorous quantum mechanical approach.
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We investigate an unconventional nature of the entropy production (EP) in nonequilibrium systems with odd-parity variables that change signs under time reversal. We consider the Brownian motion of a particle in contact with a heat reservoir, where particle momentum is an odd-parity variable. In the presence of an {it external} momentum-dependent force, the EP transferred to environment is found {em not} equivalent to usual reservoir entropy change due to heat transfer. There appears an additional unconventional contribution to the EP, which is crucial for maintaining the non-negativity of the (average) total EP enforced by the thermodynamic second law. A few examples are considered to elucidate the novel nature of the EP. We also discuss detailed balance conditions with a momentum-dependent force.
Path-dependent stochastic processes are often non-ergodic and observables can no longer be computed within the ensemble picture. The resulting mathematical difficulties pose severe limits to the analytical understanding of path-dependent processes. Their statistics is typically non-multinomial in the sense that the multiplicities of the occurrence of states is not a multinomial factor. The maximum entropy principle is tightly related to multinomial processes, non-interacting systems, and to the ensemble picture; It loses its meaning for path-dependent processes. Here we show that an equivalent to the ensemble picture exists for path-dependent processes, such that the non-multinomial statistics of the underlying dynamical process, by construction, is captured correctly in a functional that plays the role of a relative entropy. We demonstrate this for self-reinforcing Polya urn processes, which explicitly generalise multinomial statistics. We demonstrate the adequacy of this constructive approach towards non-multinomial pendants of entropy by computing frequency and rank distributions of Polya urn processes. We show how microscopic update rules of a path-dependent process allow us to explicitly construct a non-multinomial entropy functional, that, when maximized, predicts the time-dependent distribution function.
Computing the stochastic entropy production associated with the evolution of a stochastic dynamical system is a well-established problem. In a small number of cases such as the Ornstein-Uhlenbeck process, of which we give a complete exposition, the distribution of entropy production can be obtained analytically, but in general it is much harder. A recent development in solving the Fokker-Planck equation, in which the solution is written as a product of positive functions, enables the distribution to be obtained approximately, with the assistance of simple numerical techniques. Using examples in one and higher dimension, we demonstrate how such a framework is very convenient for the computation of stochastic entropy production in diffusion processes.
This Letter presents a neural estimator for entropy production, or NEEP, that estimates entropy production (EP) from trajectories of relevant variables without detailed information on the system dynamics. For steady state, we rigorously prove that the estimator, which can be built up from different choices of deep neural networks, provides stochastic EP by optimizing the objective function proposed here. We verify the NEEP with the stochastic processes of the bead-spring and discrete flashing ratchet models, and also demonstrate that our method is applicable to high-dimensional data and can provide coarse-grained EP for Markov systems with unobservable states.
We study the entropy production rate in systems described by linear Langevin equations, containing mixed even and odd variables under time reversal. Exact formulas are derived for several important quantities in terms only of the means and covariances of the random variables in question. These include the total rate of change of the entropy, the entropy production rate, the entropy flux rate and the three components of the entropy production. All equations are cast in a way suitable for large-scale analysis of linear Langevin systems. Our results are also applied to different types of electrical circuits, which suitably illustrate the most relevant aspects of the problem.
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