Underdamped Langevin Monte Carlo (ULMC) is an algorithm used to sample from unnormalized densities by leveraging the momentum of a particle moving in a potential well. We provide a novel analysis of ULMC, motivated by two central questions: (1) Can we obtain improved sampling guarantees beyond strong log-concavity? (2) Can we achieve acceleration for sampling?
For (1), prior results for ULMC only hold under a log-Sobolev inequality together with a restrictive Hessian smoothness condition. Here, we relax these assumptions by removing the Hessian smoothness condition and by considering distributions satisfying a Poincaré inequality. Our analysis achieves the state of art dimension dependence, and is also flexible enough to handle weakly smooth potentials. As a byproduct, we also obtain the first KL divergence guarantees for ULMC without Hessian smoothness under strong log-concavity, which is based on a new result on the log-Sobolev constant along the underdamped Langevin diffusion.
For (2), the recent breakthrough of Cao, Lu, and Wang (2020) established the first accelerated result for sampling in continuous time via PDE methods. Our discretization analysis translates their result into an algorithmic guarantee, which indeed enjoys better condition number dependence than prior works on ULMC, although we leave open the question of full acceleration in discrete time.
Both (1) and (2) necessitate Rényi discretization bounds, which are more challenging than the typically used Wasserstein coupling arguments. We address this using a flexible discretization analysis based on Girsanov's theorem that easily extends to more general settings.
Recent works have derived non-asymptotic upper bounds for convergence of underdamped Langevin MCMC. We revisit these bound and consider introducing scaling terms in the underlying underdamped Langevin equation. In particular, we provide conditions under which an appropriate scaling allows to improve the error bounds in terms of the condition number of the underlying density of interest.
We study the underdamped Langevin diffusion when the log of the target distribution is smooth and strongly concave. We present a MCMC algorithm based on its discretization and show that it achieves $\varepsilon$ error (in 2-Wasserstein distance) in $\mathcal{O}(\sqrt{d}/\varepsilon)$ steps. This is a significant improvement over the best known rate for overdamped Langevin MCMC, which is $\mathcal{O}(d/\varepsilon^2)$ steps under the same smoothness/concavity assumptions. The underdamped Langevin MCMC scheme can be viewed as a version of Hamiltonian Monte Carlo (HMC) which has been observed to …
The efficiency of a Markov sampler based on the underdamped Langevin diffusion is studied for high dimensional targets with convex and smooth potentials. We consider a classical second-order integrator which requires only one gradient computation per iteration. Contrary to previous works on similar samplers, a dimension-free contraction of Wasserstein distances and convergence rate for the total variance distance are proven for the discrete time chain itself. Non-asymptotic Wasserstein and total variation efficiency bounds and concentration inequalities are obtained for both the Metropolis adj…
Approximate Thompson sampling with Langevin Monte Carlo broadens its reach from Gaussian posterior sampling to encompass more general smooth posteriors. However, it still encounters scalability issues in high-dimensional problems when demanding high accuracy. To address this, we propose an approximate Thompson sampling strategy, utilizing underdamped Langevin Monte Carlo, where the latter is the go-to workhorse for simulations of high-dimensional posteriors. Based on the standard smoothness and log-concavity conditions, we study the accelerated posterior concentration and sampling using a spec…
University of Wisconsin-Madison（威斯康星大学麦迪逊分校）；Duke University（杜克大学）
The Underdamped Langevin Monte Carlo (ULMC) is a popular Markov chain Monte Carlo sampling method. It requires the computation of the full gradient of the log-density at each iteration, an expensive operation if the dimension of the problem is high. We propose a sampling method called Random Coordinate ULMC (RC-ULMC), which selects a single coordinate at each iteration to be updated and leaves the other coordinates untouched. We investigate the computational complexity of RC-ULMC and compare it with the classical ULMC for strongly log-concave probability distributions. We show that RC-ULMC is …
Delocalization of bias in unadjusted Hamiltonian Monte Carlo and underdamped Langevin
Department of Mathematics, University of California, Los Angeles, CA 90095, USA（加州大学洛杉矶分校数学系）；Courant Institute, New York University, NY 10012, USA（纽约大学Courant研究所）
In this paper, we consider the underdamped Langevin diffusion (ULD) and propose a numerical approximation using its associated ordinary differential equation (ODE). When used as a Markov Chain Monte Carlo (MCMC) algorithm, we show that the ODE approximation achieves a $2$-Wasserstein error of $\varepsilon$ in $\mathcal{O}\big(d^{\frac{1}{3}}/\varepsilon^{\frac{2}{3}}\big)$ steps under the standard smoothness and strong convexity assumptions on the target distribution. This matches the complexity of the randomized midpoint method proposed by Shen and Lee [NeurIPS 2019] which was shown to be ord…
We formulate gradient-based Markov chain Monte Carlo (MCMC) sampling as optimization on the space of probability measures, with Kullback-Leibler (KL) divergence as the objective functional. We show that an underdamped form of the Langevin algorithm performs accelerated gradient descent in this metric. To characterize the convergence of the algorithm, we construct a Lyapunov functional and exploit hypocoercivity of the underdamped Langevin algorithm. As an application, we show that accelerated rates can be obtained for a class of nonconvex functions with the Langevin algorithm.
University of Wisconsin-Madison（威斯康星大学麦迪逊分校）；Department of Mathematics（数学系）；Madison, WI 53706（威斯康星州麦迪逊市 53706（注：该地址非机构，此处仅按要求提取原文中明确出现的机构相关内容））
Sampling from a log-concave distribution function is one core problem that has wide applications in Bayesian statistics and machine learning. While most gradient free methods have slow convergence rate, the Langevin Monte Carlo (LMC) that provides fast convergence requires the computation of gradients. In practice one uses finite-differencing approximations as surrogates, and the method is expensive in high-dimensions. A natural strategy to reduce computational cost in each iteration is to utilize random gradient approximations, such as random coordinate descent (RCD) or simultaneous perturbat…
We study the problem of sampling from a distribution $p^*(x) \propto \exp\left(-U(x)\right)$, where the function $U$ is $L$-smooth everywhere and $m$-strongly convex outside a ball of radius $R$, but potentially nonconvex inside this ball. We study both overdamped and underdamped Langevin MCMC and establish upper bounds on the number of steps required to obtain a sample from a distribution that is within $ε$ of $p^*$ in $1$-Wasserstein distance. For the first-order method (overdamped Langevin MCMC), the iteration complexity is $\tilde{\mathcal{O}}\left(e^{cLR^2}d/ε^2\right)$, where $d$ is the …
Langevin diffusion processes and their discretizations are often used for sampling from a target density. The most convenient framework for assessing the quality of such a sampling scheme corresponds to smooth and strongly log-concave densities defined on $\mathbb R^p$. The present work focuses on this framework and studies the behavior of Monte Carlo algorithms based on discretizations of the kinetic Langevin diffusion. We first prove the geometric mixing property of the kinetic Langevin diffusion with a mixing rate that is, in the overdamped regime, optimal in terms of its dependence on the …
Monte Carlo sampling techniques have broad applications in machine learning, Bayesian posterior inference, and parameter estimation. Often the target distribution takes the form of a product distribution over a dataset with a large number of entries. For sampling schemes utilizing gradient information it is cheaper for the derivative to be approximated using a random small subset of the data, introducing extra noise into the system. We present a new discretization scheme for underdamped Langevin dynamics when utilizing a stochastic (noisy) gradient. This scheme is shown to bias computed averag…
We study the problem of sampling from a distribution $\target$ using the Langevin Monte Carlo algorithm and provide rate of convergences for this algorithm in terms of Wasserstein distance of order $2$. Our result holds as long as the continuous diffusion process associated with the algorithm converges exponentially fast to the target distribution along with some technical assumptions. While such an exponential convergence holds for example in the log-concave measure case, it also holds for the more general case of asymptoticaly log-concave measures. Our results thus extends the known rates of…
We provide convergence guarantees in Wasserstein distance for a variety of variance-reduction methods: SAGA Langevin diffusion, SVRG Langevin diffusion and control-variate underdamped Langevin diffusion. We analyze these methods under a uniform set of assumptions on the log-posterior distribution, assuming it to be smooth, strongly convex and Hessian Lipschitz. This is achieved by a new proof technique combining ideas from finite-sum optimization and the analysis of sampling methods. Our sharp theoretical bounds allow us to identify regimes of interest where each method performs better than th…
Hong Kong University of Science and Technology (Guangzhou)（香港科技大学（广州））；Fudan University（复旦大学）；Beijing Institute of Technology（北京理工大学）；Florida State University（佛罗里达州立大学）
Discretized Langevin diffusions are efficient Monte Carlo methods for sampling from high dimensional target densities that are log-Lipschitz-smooth and (strongly) log-concave. In particular, the Euclidean Langevin Monte Carlo sampling algorithm has received much attention lately, leading to a detailed understanding of its non-asymptotic convergence properties and of the role that smoothness and log-concavity play in the convergence rate. Distributions that do not possess these regularity properties can be addressed by considering a Riemannian Langevin diffusion with a metric capturing the loca…
Discretization of continuous-time diffusion processes is a widely recognized method for sampling. However, the canonical Euler-Maruyama discretization of the Langevin diffusion process, also named as Langevin Monte Carlo (LMC), studied mostly in the context of smooth (gradient-Lipschitz) and strongly log-concave densities, a significant constraint for its deployment in many sciences, including computational statistics and statistical learning. In this paper, we establish several theoretical contributions to the literature on such sampling methods. Particularly, we generalize the Gaussian smoot…
Non-Reversible Langevin Algorithms for Constrained Sampling
University of California, Irvine（加利福尼亚大学欧文分校）；Florida State University（佛罗里达州立大学）；Hong Kong University of Science and Technology (Guangzhou)（香港科技大学（广州））
Variance Reduction for Stochastic Gradient Generalized Non-reversible Langevin Monte Carlo Algorithms
FinTech Thrust, Hong Kong University of Science and Technology (Guangzhou)（香港科技大学（广州）金融科技方向）；School of Mathematical Science, Fudan University（复旦大学数学学院）；Department of Mathematics, Florida State University（佛罗里达州立大学数学系）
Discretizations of Langevin diffusions provide a powerful method for sampling and Bayesian inference. However, such discretizations require evaluation of the gradient of the potential function. In several real-world scenarios, obtaining gradient evaluations might either be computationally expensive, or simply impossible. In this work, we propose and analyze stochastic zeroth-order sampling algorithms for discretizing overdamped and underdamped Langevin diffusions. Our approach is based on estimating the gradients, based on Gaussian Stein's identities, widely used in the stochastic optimization…
Improved Analysis for Hessian-free High-resolution Monte Carlo Sampling
School of Mathematics and Statistics, Donghua University（东华大学数学与统计学院）；Hong Kong University of Science and Technology (Guangzhou)（香港科技大学（广州））；School of Mathematical Sciences, Fudan University（复旦大学数学科学学院）；Department of Mathematics, Florida State University（佛罗里达州立大学数学系）
Various Markov chain Monte Carlo (MCMC) methods are studied to improve upon random walk Metropolis sampling, for simulation from complex distributions. Examples include Metropolis-adjusted Langevin algorithms, Hamiltonian Monte Carlo, and other recent algorithms related to underdamped Langevin dynamics. We propose a broad class of irreversible sampling algorithms, called Hamiltonian assisted Metropolis sampling (HAMS), and develop two specific algorithms with appropriate tuning and preconditioning strategies. Our HAMS algorithms are designed to achieve two distinctive properties, while using a…
We present an improved analysis of the Euler-Maruyama discretization of the Langevin diffusion. Our analysis does not require global contractivity, and yields polynomial dependence on the time horizon. Compared to existing approaches, we make an additional smoothness assumption, and improve the existing rate from $O(η)$ to $O(η^2)$ in terms of the KL divergence. This result matches the correct order for numerical SDEs, without suffering from exponential time dependence. When applied to algorithms for sampling and learning, this result simultaneously improves all those methods based on Dalayan'…
In this paper, we study a method to sample from a target distribution $π$ over $\mathbb{R}^d$ having a positive density with respect to the Lebesgue measure, known up to a normalisation factor. This method is based on the Euler discretization of the overdamped Langevin stochastic differential equation associated with $π$. For both constant and decreasing step sizes in the Euler discretization, we obtain non-asymptotic bounds for the convergence to the target distribution $π$ in total variation distance. A particular attention is paid to the dependency on the dimension $d$, to demonstrate the a…
Georgia Institute of Technology（佐治亚理工学院）；Hudson River Trading（哈德逊河交易公司）；Yale University（耶鲁大学）
The technique of modifying the geometry of a problem from Euclidean to Hessian metric has proved to be quite effective in optimization, and has been the subject of study for sampling. The Mirror Langevin Diffusion (MLD) is a sampling analogue of mirror flow in continuous time, and it has nice convergence properties under log-Sobolev or Poincare inequalities relative to the Hessian metric, as shown by Chewi et al. (2020). In discrete time, a simple discretization of MLD is the Mirror Langevin Algorithm (MLA) studied by Zhang et al. (2020), who showed a biased convergence bound with a non-vanish…
University of California, Davis（加利福尼亚大学戴维斯分校）；University of Toronto（多伦多大学）；Vector Institute（矢量研究所）
The randomized midpoint method, proposed by [SL19], has emerged as an optimal discretization procedure for simulating the continuous time Langevin diffusions. Focusing on the case of strong-convex and smooth potentials, in this paper, we analyze several probabilistic properties of the randomized midpoint discretization method for both overdamped and underdamped Langevin diffusions. We first characterize the stationary distribution of the discrete chain obtained with constant step-size discretization and show that it is biased away from the target distribution. Notably, the step-size needs to g…
We propose a new discretization of the mirror-Langevin diffusion and give a crisp proof of its convergence. Our analysis uses relative convexity/smoothness and self-concordance, ideas which originated in convex optimization, together with a new result in optimal transport that generalizes the displacement convexity of the entropy. Unlike prior works, our result both (1) requires much weaker assumptions on the mirror map and the target distribution, and (2) has vanishing bias as the step size tends to zero. In particular, for the task of sampling from a log-concave distribution supported on a c…
