arXiv subjects

Jonathan Weare

Publications and source records attributed to Jonathan Weare.

63 records · Page 4Linked to original sources

arXiv2014

Improved diffusion Monte Carlo

We propose a modification, based on the RESTART (repetitive simulation trials after reaching thresholds) and DPR (dynamics probability redistribution) rare event simulation algorithms, of the standard diffusion Monte Carlo (DMC) algorithm. The new algorithm has a lower variance per workload, regardless of the regime considered. In particular, it makes it feasible to use DMC in situations where the "naïve" generalisation of the standard algorithm would be impractical, due to an exponential explosion of its variance. We numerically demonstrate the effectiveness of the new algorithm on a standard rare event simulation problem (probability of an unlikely transition in a Lennard-Jones cluster), as well as a high-frequency data assimilation problem.

math.PR↗

arXiv2014

The Brownian fan

We provide a mathematical study of the modified Diffusion Monte Carlo (DMC) algorithm introduced in the companion article \cite{DMC}. DMC is a simulation technique that uses branching particle systems to represent expectations associated with Feynman-Kac formulae. We provide a detailed heuristic explanation of why, in cases in which a stochastic integral appears in the Feynman-Kac formula (e.g. in rare event simulation, continuous time filtering, and other settings), the new algorithm is expected to converge in a suitable sense to a limiting process as the time interval between branching steps goes to 0. The situation studied here stands in stark contrast to the "naïve" generalisation of the DMC algorithm which would lead to an exponential explosion of the number of particles, thus precluding the existence of any finite limiting object. Convergence is shown rigorously in the simplest possible situation of a random walk, biased by a linear potential. The resulting limiting object, which we call the "Brownian fan", is a very natural new mathematical object of independent interest.

math.PR↗

arXiv2014

Data assimilation in the low noise regime with application to the Kuroshio

On-line data assimilation techniques such as ensemble Kalman filters and particle filters lose accuracy dramatically when presented with an unlikely observation. Such an observation may be caused by an unusually large measurement error or reflect a rare fluctuation in the dynamics of the system. Over a long enough span of time it becomes likely that one or several of these events will occur. Often they are signatures of the most interesting features of the underlying system and their prediction becomes the primary focus of the data assimilation procedure. The Kuroshio or Black Current that runs along the eastern coast of Japan is an example of such a system. It undergoes infrequent but dramatic changes of state between a small meander during which the current remains close to the coast of Japan, and a large meander during which it bulges away from the coast. Because of the important role that the Kuroshio plays in distributing heat and salinity in the surrounding region, prediction of these transitions is of acute interest. Here we focus on a regime in which both the stochastic forcing on the system and the observational noise are small. In this setting large deviation theory can be used to understand why standard filtering methods fail and guide the design of the more effective data assimilation techniques. Motivated by our analysis we propose several data assimilation strategies capable of efficiently handling rare events such as the transitions of the Kuroshio. These techniques are tested on a model of the Kuroshio and shown to perform much better than standard filtering methods.

physics.data-an↗

arXiv2013

The relaxation of a family of broken bond crystal surface models

We study the continuum limit of a family of kinetic Monte Carlo models of crystal surface relaxation that includes both the solid-on-solid and discrete Gaussian models. With computational experiments and theoretical arguments we are able to derive several partial differential equation limits identified (or nearly identified) in previous studies and to clarify the correct choice of surface tension appearing in the PDE and the correct scaling regime giving rise to each PDE. We also provide preliminary computational investigations of a number of interesting qualitative features of the large scale behavior of the models.

math-ph↗

arXiv2012

Steered Transition Path Sampling

We introduce a path sampling method for obtaining statistical properties of an arbitrary stochastic dynamics. The method works by decomposing a trajectory in time, estimating the probability of satisfying a progress constraint, modifying the dynamics based on that probability, and then reweighting to calculate averages. Because the progress constraint can be formulated in terms of occurrences of events within time intervals, the method is particularly well suited for controlling the sampling of currents of dynamic events. We demonstrate the method for calculating transition probabilities in barrier crossing problems and survival probabilities in strongly diffusive systems with absorbing states, which are difficult to treat by shooting. We discuss the relation of the algorithm to other methods.

cond-mat.stat-mech↗

arXiv2011

An Affine-Invariant Sampler for Exoplanet Fitting and Discovery in Radial Velocity Data

Markov Chain Monte Carlo (MCMC) proves to be powerful for Bayesian inference and in particular for exoplanet radial velocity fitting because MCMC provides more statistical information and makes better use of data than common approaches like chi-square fitting. However, the non-linear density functions encountered in these problems can make MCMC time-consuming. In this paper, we apply an ensemble sampler respecting affine invariance to orbital parameter extraction from radial velocity data. This new sampler has only one free parameter, and it does not require much tuning for good performance, which is important for automatization. The autocorrelation time of this sampler is approximately the same for all parameters and far smaller than Metropolis-Hastings, which means it requires many fewer function calls to produce the same number of independent samples. The affine-invariant sampler speeds up MCMC by hundreds of times compared with Metropolis-Hastings in the same computing situation. This novel sampler would be ideal for projects involving large datasets such as statistical investigations of planet distribution. The biggest obstacle to ensemble samplers is the existence of multiple local optima; we present a clustering technique to deal with local optima by clustering based on the likelihood of the walkers in the ensemble. We demonstrate the effectiveness of the sampler on real radial velocity data.

astro-ph.IM↗

arXiv2008

Variance reduction for particle filters of systems with time-scale separation

We present a particle filter construction for a system that exhibits time-scale separation. The separation of time-scales allows two simplifications that we exploit: i) The use of the averaging principle for the dimensional reduction of the system needed to solve for each particle and ii) the factorization of the transition probability which allows the Rao-Blackwellization of the filtering step. Both simplifications can be implemented using the coarse projective integration framework. The resulting particle filter is faster and has smaller variance than the particle filter based on the original system. The method is tested on a multiscale stochastic differential equation and on a multiscale pure jump diffusion motivated by chemical reactions.

math.NA↗

arXiv2007

Parallel marginalization Monte Carlo with applications to conditional path sampling

Monte Carlo sampling methods often suffer from long correlation times. Consequently, these methods must be run for many steps to generate an independent sample. In this paper a method is proposed to overcome this difficulty. The method utilizes information from rapidly equilibrating coarse Markov chains that sample marginal distributions of the full system. This is accomplished through exchanges between the full chain and the auxiliary coarse chains. Results of numerical tests on the bridge sampling and filtering/smoothing problems for a stochastic differential equation are presented.

stat.CO↗

arXiv2007

Efficient Monte Carlo sampling by parallel marginalization

Markov chain Monte Carlo sampling methods often suffer from long correlation times. Consequently, these methods must be run for many steps to generate an independent sample. In this paper a method is proposed to overcome this difficulty. The method utilizes information from rapidly equilibrating coarse Markov chains that sample marginal distributions of the full system. This is accomplished through exchanges between the full chain and the auxiliary coarse chains. Results of numerical tests on the bridge sampling and filtering/smoothing problems for a stochastic differential equation are presented.

math.NA↗