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Matheau Santana-Gijzen

Publications and source records attributed to Matheau Santana-Gijzen.

3 recordsLinked to original sources

Sampling with collective variables: Relative error analysis for umbrella sampling under general conditions

We consider the problem of estimating the expectation of a function (observable) with respect to a high-dimensional probability distribution, under the assumption that a low-dimensional collective variable map captures all the directions of slow mixing for the distribution. More precisely, under the assumption that the fibers of the collective variable map satisfy a log-Sobolev inequality, we establish non-asymptotic relative-error guarantees for this problem using the eigenvector method for umbrella sampling (EMUS). Our analysis applies to both log-Lipschitz observables and indicator of convex sets, and gives complexity bounds that are polynomial in regularity parameters and inverse relative accuracy, and exponential in the dimension of the collective variable space. As a relative error guarantee, our bounds apply to rare event estimation. We consider Gaussian biasing windows defined on a low-dimensional collective variable space and analyze a modified sparse matrix version of EMUS. The bounds quantify the effect of the map through mixing of the conditional distribution and fluctuation of the observable along the fibers.

math.ST↗

Sampling from multimodal distributions with warm starts: Non-asymptotic bounds for the Reweighted Annealed Leap-Point Sampler

Sampling from multimodal distributions is a central challenge in Bayesian inference and machine learning. In light of hardness results for sampling -- classical MCMC methods, even with tempering, can suffer from exponential mixing times -- a natural question is how to leverage additional information, such as a warm start point for each mode, to enable faster mixing across modes. To address this, we introduce Reweighted ALPS (Re-ALPS), a modified version of the Annealed Leap-Point Sampler (ALPS) that dispenses with the Gaussian approximation assumption. We prove the first polynomial-time bound that works in a general setting, under a natural assumption that each component contains significant mass relative to the others when tilted towards the corresponding warm start point. Similarly to ALPS, we define distributions tilted towards a mixture centered at the warm start points, and at the coldest level, use teleportation between warm start points to enable efficient mixing across modes. In contrast to ALPS, our method does not require Hessian information at the modes, but instead estimates component partition functions via Monte Carlo. This additional estimation step is crucial in allowing the algorithm to handle target distributions with more complex geometries besides approximate Gaussian. For the proof, we show convergence results for Markov processes when only part of the stationary distribution is well-mixing and estimation for partition functions for individual components of a mixture.

stat.ML↗

Convergence Bounds for Sequential Monte Carlo on Multimodal Distributions using Soft Decomposition

We prove bounds on the variance of a function $f$ under the empirical measure of the samples obtained by the Sequential Monte Carlo (SMC) algorithm, with time complexity depending on local rather than global Markov chain mixing dynamics. SMC is a Markov Chain Monte Carlo (MCMC) method, which starts by drawing $N$ particles from a known distribution, and then, through a sequence of distributions, re-weights and re-samples the particles, at each instance applying a Markov chain for smoothing. In principle, SMC tries to alleviate problems from multi-modality. However, most theoretical guarantees for SMC are obtained by assuming global mixing time bounds, which are only efficient in the uni-modal setting. We show that bounds can be obtained in the truly multi-modal setting, with mixing times that depend only on local MCMC dynamics.

math.ST↗