Near-optimal protocols in complex nonequilibrium transformations
Abstract
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. In this paper, we describe a general method for sampling an ensemble of finite-time, nonequilibrium protocols biased toward a low average dissipation. In addition, 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.
- Authors:
-
- Physics of Living Systems Group, Department of Physics, Massachusetts Institute of Technology, Cambridge, MA 02139,, Department of Chemistry, University of California, Berkeley, CA 94720,
- Biophysics Graduate Group, University of California, Berkeley, CA 94720,
- Physical Biosciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720,, Kavli Energy NanoSciences Institute, Berkeley, CA 94720,
- Department of Chemistry, University of California, Berkeley, CA 94720,, Biophysics Graduate Group, University of California, Berkeley, CA 94720,, Physical Biosciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720,, Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720
- Publication Date:
- Research Org.:
- Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES); US Army Research Office (ARO); National Science Foundation (NSF); Gordon and Betty Moore Foundation
- OSTI Identifier:
- 1312046
- Alternate Identifier(s):
- OSTI ID: 1377488
- Grant/Contract Number:
- AC02-05CH11231; W911NF-13-1-0390
- Resource Type:
- Published Article
- Journal Name:
- Proceedings of the National Academy of Sciences of the United States of America
- Additional Journal Information:
- Journal Name: Proceedings of the National Academy of Sciences of the United States of America Journal Volume: 113 Journal Issue: 37; Journal ID: ISSN 0027-8424
- Publisher:
- Proceedings of the National Academy of Sciences
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; 97 MATHEMATICS AND COMPUTING; nonequilibrium; irreversible thermodynamics; entropic sampling methods; Metropolis algorithm; Ising model
Citation Formats
Gingrich, Todd R., Rotskoff, Grant M., Crooks, Gavin E., and Geissler, Phillip L. Near-optimal protocols in complex nonequilibrium transformations. United States: N. p., 2016.
Web. doi:10.1073/pnas.1606273113.
Gingrich, Todd R., Rotskoff, Grant M., Crooks, Gavin E., & Geissler, Phillip L. Near-optimal protocols in complex nonequilibrium transformations. United States. https://doi.org/10.1073/pnas.1606273113
Gingrich, Todd R., Rotskoff, Grant M., Crooks, Gavin E., and Geissler, Phillip L. Mon .
"Near-optimal protocols in complex nonequilibrium transformations". United States. https://doi.org/10.1073/pnas.1606273113.
@article{osti_1312046,
title = {Near-optimal protocols in complex nonequilibrium transformations},
author = {Gingrich, Todd R. and Rotskoff, Grant M. and Crooks, Gavin E. and Geissler, Phillip L.},
abstractNote = {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. In this paper, we describe a general method for sampling an ensemble of finite-time, nonequilibrium protocols biased toward a low average dissipation. In addition, 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.},
doi = {10.1073/pnas.1606273113},
journal = {Proceedings of the National Academy of Sciences of the United States of America},
number = 37,
volume = 113,
place = {United States},
year = {Mon Aug 29 00:00:00 EDT 2016},
month = {Mon Aug 29 00:00:00 EDT 2016}
}
https://doi.org/10.1073/pnas.1606273113
Web of Science
Works referenced in this record:
Thermodynamics: A Riemannian geometric model
journal, October 1979
- Ruppeiner, George
- Physical Review A, Vol. 20, Issue 4
Computing Equilibrium Free Energies Using Non-Equilibrium Molecular Dynamics
journal, December 2013
- Dellago, Christoph; Hummer, Gerhard
- Entropy, Vol. 16, Issue 1
High-Precision Test of Landauer’s Principle in a Feedback Trap
journal, November 2014
- Jun, Yonggun; Gavrilov, Momčilo; Bechhoefer, John
- Physical Review Letters, Vol. 113, Issue 19
Why Is the Mechanical Efficiency of F1-ATPase So High?
journal, January 2000
- Oster, George; Wang, Hongyun
- Journal of Bioenergetics and Biomembranes, Vol. 32, Issue 5, p. 459-469
Exit probabilities and optimal stochastic control
journal, March 1977
- Fleming, Wendell H.
- Applied Mathematics & Optimization, Vol. 4, Issue 1
Verification of the Crooks fluctuation theorem and recovery of RNA folding free energies
journal, September 2005
- Collin, D.; Ritort, F.; Jarzynski, C.
- Nature, Vol. 437, Issue 7056
Direct mechanical measurements of the elasticity of single DNA molecules by using magnetic beads
journal, November 1992
- Smith, S.; Finzi, L.; Bustamante, C.
- Science, Vol. 258, Issue 5085
Experimental test of Landauer’s principle in single-bit operations on nanomagnetic memory bits
journal, March 2016
- Hong, Jeongmin; Lambson, Brian; Dhuey, Scott
- Science Advances, Vol. 2, Issue 3
Stochastic Control for Small Noise Intensities
journal, August 1971
- Fleming, Wendell H.
- SIAM Journal on Control, Vol. 9, Issue 3
Stochastic Annealing
journal, July 2003
- Ball, Robin C.; Fink, Thomas M. A.; Bowler, Neill E.
- Physical Review Letters, Vol. 91, Issue 3
Optimal control in nonequilibrium systems: Dynamic Riemannian geometry of the Ising model
journal, December 2015
- Rotskoff, Grant M.; Crooks, Gavin E.
- Physical Review E, Vol. 92, Issue 6
Nonequilibrium Equality for Free Energy Differences
journal, April 1997
- Jarzynski, C.
- Physical Review Letters, Vol. 78, Issue 14
Universal bounds on current fluctuations
journal, May 2016
- Pietzonka, Patrick; Barato, Andre C.; Seifert, Udo
- Physical Review E, Vol. 93, Issue 5
Metric geometry of equilibrium thermodynamics
journal, September 1975
- Weinhold, F.
- The Journal of Chemical Physics, Vol. 63, Issue 6
Dissipation: The Phase-Space Perspective
journal, February 2007
- Kawai, R.; Parrondo, J. M. R.; den Broeck, C. Van
- Physical Review Letters, Vol. 98, Issue 8
Geometry of thermodynamic control
journal, October 2012
- Zulkowski, Patrick R.; Sivak, David A.; Crooks, Gavin E.
- Physical Review E, Vol. 86, Issue 4
Linear Theory for Control of Nonlinear Stochastic Systems
journal, November 2005
- Kappen, Hilbert J.
- Physical Review Letters, Vol. 95, Issue 20
The pseudo-marginal approach for efficient Monte Carlo computations
journal, April 2009
- Andrieu, Christophe; Roberts, Gareth O.
- The Annals of Statistics, Vol. 37, Issue 2
Computing the optimal protocol for finite-time processes in stochastic thermodynamics
journal, April 2008
- Then, Holger; Engel, Andreas
- Physical Review E, Vol. 77, Issue 4
Estimation of Population Growth or Decline in Genetically Monitored Populations
journal, July 2003
- Beaumont, Mark A.
- Genetics, Vol. 164, Issue 3
Equilibrium Information from Nonequilibrium Measurements in an Experimental Test of Jarzynski's Equality
journal, June 2002
- Liphardt, J.
- Science, Vol. 296, Issue 5574
Dissipation and lag in irreversible processes
journal, September 2009
- Vaikuntanathan, S.; Jarzynski, C.
- EPL (Europhysics Letters), Vol. 87, Issue 6
Distribution of work in isothermal nonequilibrium processes
journal, December 2004
- Speck, Thomas; Seifert, Udo
- Physical Review E, Vol. 70, Issue 6
Applications of the Cross-Entropy Method to Importance Sampling and Optimal Control of Diffusions
journal, January 2014
- Zhang, Wei; Wang, Han; Hartmann, Carsten
- SIAM Journal on Scientific Computing, Vol. 36, Issue 6
A noisy Monte Carlo algorithm
journal, March 2000
- Lin, L.; Liu, K. F.; Sloan, J.
- Physical Review D, Vol. 61, Issue 7
Efficient rare event simulation by optimal nonequilibrium forcing
journal, November 2012
- Hartmann, Carsten; Schütte, Christof
- Journal of Statistical Mechanics: Theory and Experiment, Vol. 2012, Issue 11
Fluctuation Relations: A Pedagogical Overview
book, January 2013
- Spinney, Richard; Ford, Ian
- Nonequilibrium Statistical Physics of Small Systems: Fluctuation Relations and Beyond
Optimal protocols for minimal work processes in underdamped stochastic thermodynamics
journal, July 2008
- Gomez-Marin, Alex; Schmiedl, Tim; Seifert, Udo
- The Journal of Chemical Physics, Vol. 129, Issue 2
Stochastic optimal control as non-equilibrium statistical mechanics: calculus of variations over density and current
journal, December 2013
- Chernyak, Vladimir Y.; Chertkov, Michael; Bierkens, Joris
- Journal of Physics A: Mathematical and Theoretical, Vol. 47, Issue 2
Path integral control and state-dependent feedback
journal, March 2015
- Thijssen, Sep; Kappen, H. J.
- Physical Review E, Vol. 91, Issue 3
Optimal Finite-Time Processes In Stochastic Thermodynamics
journal, March 2007
- Schmiedl, Tim; Seifert, Udo
- Physical Review Letters, Vol. 98, Issue 10
Realization of a micrometre-sized stochastic heat engine
journal, December 2011
- Blickle, Valentin; Bechinger, Clemens
- Nature Physics, Vol. 8, Issue 2
Exploring the Thermodynamic Limits of Computation in Integrated Systems: Magnetic Memory, Nanomagnetic Logic, and the Landauer Limit
journal, July 2011
- Lambson, Brian; Carlton, David; Bokor, Jeffrey
- Physical Review Letters, Vol. 107, Issue 1
Minimum entropy production and the optimization of heat engines
journal, June 1980
- Salamon, Peter; Nitzan, Abraham; Andresen, Bjarne
- Physical Review A, Vol. 21, Issue 6
Dissipation Bounds All Steady-State Current Fluctuations
journal, March 2016
- Gingrich, Todd R.; Horowitz, Jordan M.; Perunov, Nikolay
- Physical Review Letters, Vol. 116, Issue 12
High-precision work distributions for extreme nonequilibrium processes in large systems
journal, May 2014
- Hartmann, Alexander K.
- Physical Review E, Vol. 89, Issue 5
Statistically optimal analysis of samples from multiple equilibrium states
journal, September 2008
- Shirts, Michael R.; Chodera, John D.
- The Journal of Chemical Physics, Vol. 129, Issue 12
Brownian Carnot engine
journal, October 2015
- Martínez, I. A.; Roldán, É.; Dinis, L.
- Nature Physics, Vol. 12, Issue 1
Experimental demonstration of information-to-energy conversion and validation of the generalized Jarzynski equality
journal, November 2010
- Toyabe, Shoichi; Sagawa, Takahiro; Ueda, Masahito
- Nature Physics, Vol. 6, Issue 12
Adaptive Importance Sampling for Control and Inference
journal, January 2016
- Kappen, H. J.; Ruiz, H. C.
- Journal of Statistical Physics, Vol. 162, Issue 5
Efficient transition path sampling for nonequilibrium stochastic dynamics
journal, July 2001
- Crooks, Gavin E.; Chandler, David
- Physical Review E, Vol. 64, Issue 2
Variational and optimal control representations of conditioned and driven processes
journal, December 2015
- Chetrite, Raphaël; Touchette, Hugo
- Journal of Statistical Mechanics: Theory and Experiment, Vol. 2015, Issue 12
Efficient transition path sampling: Application to Lennard-Jones cluster rearrangements
journal, June 1998
- Dellago, Christoph; Bolhuis, Peter G.; Chandler, David
- The Journal of Chemical Physics, Vol. 108, Issue 22
Bayesian estimates of free energies from nonequilibrium work data in the presence of instrument noise
journal, July 2008
- Maragakis, Paul; Ritort, Felix; Bustamante, Carlos
- The Journal of Chemical Physics, Vol. 129, Issue 2
Kinetics of phase transitions in two dimensional Ising models studied with the string method
journal, May 2008
- Venturoli, Maddalena; Vanden-Eijnden, Eric; Ciccotti, Giovanni
- Journal of Mathematical Chemistry, Vol. 45, Issue 1
Optimal control of overdamped systems
journal, September 2015
- Zulkowski, Patrick R.; DeWeese, Michael R.
- Physical Review E, Vol. 92, Issue 3
The penalty method for random walks with uncertain energies
journal, May 1999
- Ceperley, D. M.; Dewing, M.
- The Journal of Chemical Physics, Vol. 110, Issue 20
Preserving correlations between trajectories for efficient path sampling
journal, June 2015
- Gingrich, Todd R.; Geissler, Phillip L.
- The Journal of Chemical Physics, Vol. 142, Issue 23