Near-optimal protocols in complex nonequilibrium transformations

Significance Classical thermodynamics was developed to help design the best protocols for operating heat engines that remain close to equilibrium at all times. Modern experimental techniques for manipulating microscopic and mesoscopic systems routinely access far-from-equilibrium states, demanding new theoretical tools to describe the optimal protocols in this more complicated regime. Prior studies have sought, in simple models, the protocol that minimizes dissipation. We use computational tools to investigate the diversity of low-dissipation protocols. We show that optimal protocols can be accompanied by a vast set of near-optimal protocols, which still offer the substantive benefits of the optimal protocol. Although solving for the optimal protocol is typically difficult, computationally identifying a near-optimal protocol can be comparatively easy. The development of sophisticated experimental means to control nanoscale systems has motivated efforts to design driving protocols that minimize the energy dissipated to the environment. Computational models are a crucial tool in this practical challenge. We describe a general method for sampling an ensemble of finite-time, nonequilibrium protocols biased toward a low average dissipation. We show that this scheme can be carried out very efficiently in several limiting cases. As an application, we sample the ensemble of low-dissipation protocols that invert the magnetization of a 2D Ising model and explore how the diversity of the protocols varies in response to constraints on the average dissipation. In this example, we find that there is a large set of protocols with average dissipation close to the optimal value, which we argue is a general phenomenon.

[1]  M. Sano,et al.  Experimental demonstration of information-to-energy conversion and validation of the generalized Jarzynski equality , 2010 .

[2]  G. Ruppeiner,et al.  Thermodynamics: A Riemannian geometric model , 1979 .

[3]  Todd R. Gingrich,et al.  Dissipation Bounds All Steady-State Current Fluctuations. , 2015, Physical review letters.

[4]  Suriyanarayanan Vaikuntanathan,et al.  Dissipation and lag in irreversible processes , 2009, 0909.3457.

[5]  Han Wang,et al.  Applications of the Cross-Entropy Method to Importance Sampling and Optimal Control of Diffusions , 2014, SIAM J. Sci. Comput..

[6]  Eric Vanden-Eijnden,et al.  Kinetics of phase transitions in two dimensional Ising models studied with the string method , 2009 .

[7]  U. Seifert,et al.  Optimal finite-time processes in stochastic thermodynamics. , 2007, Physical review letters.

[8]  Udo Seifert,et al.  Universal bounds on current fluctuations. , 2015, Physical review. E.

[9]  W. Fleming Stochastic Control for Small Noise Intensities , 1971 .

[10]  Rainer Klages,et al.  Nonequilibrium statistical physics of small systems : fluctuation relations and beyond , 2013 .

[11]  Patrick R. Zulkowski,et al.  Optimal control of overdamped systems. , 2015, Physical review. E, Statistical, nonlinear, and soft matter physics.

[12]  Yonggun Jun,et al.  High-precision test of Landauer's principle in a feedback trap. , 2014, Physical review letters.

[13]  M. Beaumont Estimation of population growth or decline in genetically monitored populations. , 2003, Genetics.

[14]  W. Fleming Exit probabilities and optimal stochastic control , 1977 .

[15]  Clemens Bechinger,et al.  Realization of a micrometre-sized stochastic heat engine , 2011, Nature Physics.

[16]  J. Bokor,et al.  Exploring the thermodynamic limits of computation in integrated systems: magnetic memory, nanomagnetic logic, and the Landauer limit. , 2011, Physical review letters.

[17]  Udo Seifert,et al.  Optimal protocols for minimal work processes in underdamped stochastic thermodynamics. , 2008, The Journal of chemical physics.

[18]  Hilbert J. Kappen,et al.  Adaptive Importance Sampling for Control and Inference , 2015, ArXiv.

[19]  Scott Dhuey,et al.  Experimental test of Landauer’s principle in single-bit operations on nanomagnetic memory bits , 2016, Science Advances.

[20]  David A. Sivak,et al.  Geometry of thermodynamic control. , 2012, Physical review. E, Statistical, nonlinear, and soft matter physics.

[21]  R. Spinney,et al.  Fluctuation Relations: A Pedagogical Overview , 2012, 1201.6381.

[22]  S. Smith,et al.  Direct mechanical measurements of the elasticity of single DNA molecules by using magnetic beads. , 1992, Science.

[23]  C. Jarzynski Nonequilibrium Equality for Free Energy Differences , 1996, cond-mat/9610209.

[24]  C. Andrieu,et al.  The pseudo-marginal approach for efficient Monte Carlo computations , 2009, 0903.5480.

[25]  D. Petrov,et al.  Brownian Carnot engine , 2014, Nature Physics.

[26]  C. Jarzynski,et al.  Exactly solvable model illustrating far-from-equilibrium predictions , 1999 .

[27]  H. Kappen Linear theory for control of nonlinear stochastic systems. , 2004, Physical review letters.

[28]  J. Parrondo,et al.  Dissipation: the phase-space perspective. , 2007, Physical review letters.

[29]  Michael R. Shirts,et al.  Statistically optimal analysis of samples from multiple equilibrium states. , 2008, The Journal of chemical physics.

[30]  L. Lin,et al.  A noisy Monte Carlo algorithm , 1999, hep-lat/9905033.

[31]  Thomas Speck,et al.  Distribution of work in isothermal nonequilibrium processes. , 2004, Physical review. E, Statistical, nonlinear, and soft matter physics.

[32]  Hugo Touchette,et al.  Variational and optimal control representations of conditioned and driven processes , 2015, 1506.05291.

[33]  Grant M. Rotskoff,et al.  Optimal control in nonequilibrium systems: Dynamic Riemannian geometry of the Ising model. , 2015, Physical review. E, Statistical, nonlinear, and soft matter physics.

[34]  A. Engel,et al.  Computing the optimal protocol for finite-time processes in stochastic thermodynamics. , 2007, Physical review. E, Statistical, nonlinear, and soft matter physics.

[35]  P. Dupuis,et al.  Importance Sampling, Large Deviations, and Differential Games , 2004 .

[36]  Michael Chertkov,et al.  Stochastic Optimal Control as Non-equilibrium Statistical Mechanics: Calculus of Variations over Density and Current , 2013, ArXiv.

[37]  J. Lebowitz,et al.  A Gallavotti–Cohen-Type Symmetry in the Large Deviation Functional for Stochastic Dynamics , 1998, cond-mat/9811220.

[38]  B. Andresen,et al.  Minimum entropy production and the optimization of heat engines , 1980 .

[39]  G. Oster,et al.  Why Is the Mechanical Efficiency of F1-ATPase So High? , 2000, Journal of bioenergetics and biomembranes.

[40]  Martin Karplus,et al.  Bayesian estimates of free energies from nonequilibrium work data in the presence of instrument noise. , 2007, The Journal of chemical physics.

[41]  Stefan Schaal,et al.  A Generalized Path Integral Control Approach to Reinforcement Learning , 2010, J. Mach. Learn. Res..

[42]  Alexander K Hartmann High-precision work distributions for extreme nonequilibrium processes in large systems. , 2014, Physical review. E, Statistical, nonlinear, and soft matter physics.

[43]  G. Crooks,et al.  Efficient transition path sampling for nonequilibrium stochastic dynamics. , 2001, Physical review. E, Statistical, nonlinear, and soft matter physics.

[44]  D. Ceperley,et al.  The penalty method for random walks with uncertain energies , 1998, physics/9812035.

[45]  Thomas M A Fink,et al.  Stochastic annealing. , 2003, Physical review letters.

[46]  C. Schütte,et al.  Efficient rare event simulation by optimal nonequilibrium forcing , 2012, 1208.3232.

[47]  Phillip L Geissler,et al.  Preserving correlations between trajectories for efficient path sampling. , 2015, The Journal of chemical physics.

[48]  Todd R. Gingrich Two Paths Diverged: Exploring Trajectories, Protocols, and Dynamic Phases , 2015 .

[49]  Frank Weinhold,et al.  Metric geometry of equilibrium thermodynamics , 1975 .

[50]  Gavin E. Crooks,et al.  Excursions in Statistical Dynamics , 1999 .

[51]  Christoph Dellago,et al.  Computing Equilibrium Free Energies Using Non-Equilibrium Molecular Dynamics , 2013, Entropy.

[52]  C. Jarzynski,et al.  Verification of the Crooks fluctuation theorem and recovery of RNA folding free energies , 2005, Nature.

[53]  Christoph Dellago,et al.  Efficient transition path sampling: Application to Lennard-Jones cluster rearrangements , 1998 .

[54]  H. Kappen,et al.  Path integral control and state-dependent feedback. , 2014, Physical review. E, Statistical, nonlinear, and soft matter physics.

[55]  I. Tinoco,et al.  Equilibrium Information from Nonequilibrium Measurements in an Experimental Test of Jarzynski's Equality , 2002, Science.