Self-healing umbrella sampling: convergence and efficiency
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[1] Pierre E. Jacob,et al. The Wang-Landau algorithm reaches the Flat Histogram criterion in finite time , 2014 .
[2] M. Parrinello,et al. Well-tempered metadynamics: a smoothly converging and tunable free-energy method. , 2008, Physical review letters.
[3] D. Landau,et al. Determining the density of states for classical statistical models: a random walk algorithm to produce a flat histogram. , 2001, Physical review. E, Statistical, nonlinear, and soft matter physics.
[4] G. Fort,et al. Convergence of adaptive and interacting Markov chain Monte Carlo algorithms , 2011, 1203.3036.
[5] Gersende Fort,et al. Central Limit Theorems for Stochastic Approximation with controlled Markov chain dynamics , 2013, 1309.3116.
[6] G. Parisi,et al. Simulated tempering: a new Monte Carlo scheme , 1992, hep-lat/9205018.
[7] Simone Marsili,et al. Self-healing umbrella sampling: a non-equilibrium approach for quantitative free energy calculations. , 2006, The journal of physical chemistry. B.
[8] T. Lelièvre,et al. Free Energy Computations: A Mathematical Perspective , 2010 .
[9] D. Landau,et al. Efficient, multiple-range random walk algorithm to calculate the density of states. , 2000, Physical review letters.
[10] P. Hall,et al. Martingale Limit Theory and its Application. , 1984 .
[11] Klaus Schulten,et al. Reaction Pathways Based on the Gradient of the Mean First-Passage Time , 2002 .
[12] A. Laio,et al. Equilibrium free energies from nonequilibrium metadynamics. , 2006, Physical Review Letters.
[13] Klaus Schulten,et al. Reaction paths based on mean first-passage times , 2003 .
[14] Boris Polyak,et al. Acceleration of stochastic approximation by averaging , 1992 .
[15] A. Laio,et al. Escaping free-energy minima , 2002, Proceedings of the National Academy of Sciences of the United States of America.
[16] Tony Lelievre,et al. Two mathematical tools to analyze metastable stochastic processes , 2012, 1201.3775.
[17] Gersende Fort,et al. Convergence of the Wang-Landau algorithm , 2015, Math. Comput..
[18] Nicolas Chopin,et al. Free energy methods for Bayesian inference: efficient exploration of univariate Gaussian mixture posteriors , 2010, Stat. Comput..
[19] Frédéric Legoll,et al. Free energy calculations: an efficient adaptive biasing potential method. , 2009, The journal of physical chemistry. B.
[20] Eric Moulines,et al. Stability of Stochastic Approximation under Verifiable Conditions , 2005, Proceedings of the 44th IEEE Conference on Decision and Control.
[21] B. Jourdain,et al. Efficiency of the Wang–Landau Algorithm: A Simple Test Case , 2013, 1310.6550.
[22] Michele Parrinello,et al. Well-tempered metadynamics converges asymptotically. , 2014, Physical review letters.
[23] N. Metropolis,et al. Equation of State Calculations by Fast Computing Machines , 1953, Resonance.
[24] W. K. Hastings,et al. Monte Carlo Sampling Methods Using Markov Chains and Their Applications , 1970 .
[25] R. Tweedie,et al. Exponential convergence of Langevin distributions and their discrete approximations , 1996 .