STAT-MECHJul 21, 2022
Metropolis Monte Carlo sampling: convergence, localization transition and optimalityAlexei D. Chepelianskii, Satya N. Majumdar, Hendrik Schawe et al.
Among random sampling methods, Markov Chain Monte Carlo algorithms are foremost. Using a combination of analytical and numerical approaches, we study their convergence properties towards the steady state, within a random walk Metropolis scheme. Analysing the relaxation properties of some model algorithms sufficiently simple to enable analytic progress, we show that the deviations from the target steady-state distribution can feature a localization transition as a function of the characteristic length of the attempted jumps defining the random walk. While the iteration of the Monte Carlo algorithm converges to equilibrium for all choices of jump parameters, the localization transition changes drastically the asymptotic shape of the difference between the probability distribution reached after a finite number of steps of the algorithm and the target equilibrium distribution. We argue that the relaxation before and after the localisation transition is respectively limited by diffusion and rejection rates.
STAT-MECHMar 15, 2023
Singular relaxation of a random walk in a box with a Metropolis Monte Carlo dynamicsAlexei D. Chepelianskii, Satya N. Majumdar, Hendrik Schawe et al.
We study analytically the relaxation eigenmodes of a simple Monte Carlo algorithm, corresponding to a particle in a box which moves by uniform random jumps. Moves outside of the box are rejected. At long times, the system approaches the equilibrium probability density, which is uniform inside the box. We show that the relaxation towards this equilibrium is unusual: for a jump length comparable to the size of the box, the number of relaxation eigenmodes can be surprisingly small, one or two. We provide a complete analytic description of the transition between these two regimes. When only a single relaxation eigenmode is present, a suitable choice of the symmetry of the initial conditions gives a localizing decay to equilibrium. In this case, the deviation from equilibrium concentrates at the edges of the box where the rejection probability is maximal. Finally, in addition to the relaxation analysis of the master equation, we also describe the full eigen-spectrum of the master equation including its sub-leading eigen-modes.