Organizations: Department of Mathematics, Florida State University, Tallahassee, Florida, United States of America · Fintech Thrust, Hong Kong University of Science and Technology (Guangzhou), Guangzhou, Guangdong Province, People’s Republic of China · School of Mathematical Sciences, Fudan University, Shanghai, People’s Republic of China
Anchored Langevin dynamics (ALD) is useful for non-smooth sampling where the density of the target distribution is possibly non-differentiable and heavy-tailed; reflected anchored Langevin dynamics (RALD) can sample possibly non-differentiable target density on a constrained domain. In this paper, we propose and study non-reversible anchored Langevin dynamics (NALD) for sampling possibly non-differentiable and heavy-tailed target density in the Euclidean space and the non-reversible reflected anchored Langevin dynamics (NRALD) for sampling possibly non-differentiable target density in the constrained space. Our construction adds a circulation drift generated by a possibly state-dependent divergence-free skew-symmetric matrix field and a stream potential. It preserves the target distribution without requiring derivatives of target density, admits a random-time-change representation, and applies both on the whole Euclidean space and on bounded domains with normal reflection. By breaking reversibility, we show that NALD and NRALD can converge to their target distributions faster than their reversible counterparts via finite-time non-asymptotic convergence analysis, a large deviations analysis and asymptotic variance reduction. Numerical experiments demonstrate the efficiency of the proposed algorithms.
Figures & tables
Figure 1: 2 -Wasserstein distance between the particle distribution and an exact sample of the target ( 7.5 ) with the MCP regularizer ( 7.6 ), as a function of the iterate on logarithmic axes, for the reversible anchored Langevin algorithm ( α=0 ) and NRALD with the constant skew-symmetric matrix Ja ( α=1 , a=1.75 ), averaged over 5 replications of N=5000 particles, from the initial distributions N(0,10Id) (left) and U(−5,5)d (right).
Figure 2: W1 distance ( 7.20 ) between the walkers and an exact sample of the target, averaged over 8 replicas, as a function of the iterate on logarithmic axes, for the reversible projected anchored Langevin algorithm ( α=0 ) and NRALD with the tensor Js in ( 2.26 ) with s=8 and s=16 ( α=1 ), for the targets (A) ( 7.14 ) (left) and (B) ( 7.15 ) (right) on the ball ( 7.16 ). The dotted line is the two-sample floor and the dashed line is 3× floor, the threshold of τ3 .
Figure 3: Visualized density plots of the first two coordinates (x1,x2) for target (A), U(x)=∥L−1x∥2 in ( 7.14 ), restricted to the ball K in ( 7.16 ). From left to right: 5000 exact samples of the target obtained by rejection, and the walkers of the reversible projected anchored Langevin algorithm ( J=0 ) and of NRALD with Js in ( 2.26 ) for s=8 and s=16 after 5000 iterates with η=5×10−4 ( 8 replicas of 5000 walkers), shown as kernel density estimates with the same contour levels.
Figure 4: Visualized density plots of the first two coordinates (x1,x2) for target (B), U(x)=∥L−1x∥1 in ( 7.15 ), restricted to the ball K in ( 7.16 ). From left to right: 5000 exact samples of the target obtained by rejection, and the walkers of the reversible projected anchored Langevin algorithm ( J=0 ) and of NRALD with Js in ( 2.26 ) for s=8 and s=16 after 5000 iterates with η=5×10−4 ( 8 replicas of 5000 walkers), shown as kernel density estimates with the same contour levels.
Figure 5: Accuracy over the training set and the test set for the synthetic data. The red part (solid line) denotes the mean and standard deviation of the non-reversible anchored Langevin algorithm with Js(x) ( α=1 ) and the blue part (dashed line) denotes the mean and standard deviation of the reversible anchored Langevin algorithm ( α=0 ).
Figure 6: Accuracy over the training set and the test set for the synthetic data. The red part (solid line) denotes the mean and standard deviation of the non-reversible anchored Langevin algorithm with Jg(x) ( α=1 ) and the blue part (dashed line) denotes the mean and standard deviation of the reversible anchored Langevin algorithm ( α=0 ).
Figure 7: Accuracy over the training set and the test set for the Telescope dataset over the unit ball. The red part (solid line) denotes the mean and standard deviation of the non-reversible anchored Langevin algorithm with Js(x) ( α=1 ), the blue part (dashed line) denotes the mean and standard deviation of the reversible anchored Langevin algorithm ( α=0 ), and the grey dotted line is the test accuracy of the Bayesian logistic regression fit.
Figure 8: Accuracy over the training set and the test set for the Telescope dataset over the smoothed l1 ball. The red part (solid line) denotes the mean and standard deviation of the non-reversible anchored Langevin algorithm with Jg(x) ( α=1 ), the blue part (dashed line) denotes the mean and standard deviation of the reversible anchored Langevin algorithm ( α=0 ), and the grey dotted line is the test accuracy of the Bayesian logistic regression fit.
Figure 9: Accuracy over the training set and the test set for the Titanic dataset over the unit ball. The red part (solid line) denotes the mean and standard deviation of the non-reversible anchored Langevin algorithm with Js(x) ( α=1 ), the blue part (dashed line) denotes the mean and standard deviation of the reversible anchored Langevin algorithm ( α=0 ), and the grey dotted line is the test accuracy of the Bayesian logistic regression fit.
Figure 10: Accuracy over the training set and the test set for the Titanic dataset over smoothed l1 ball. The red part (solid line) denotes the mean and standard deviation of the non-reversible anchored Langevin algorithm with Jg(x) ( α=1 ), the blue part (dashed line) denotes the mean and standard deviation of the reversible anchored Langevin algorithm ( α=0 ), and the grey dotted line is the test accuracy of the Bayesian logistic regression fit.
First order Langevin algorithms for constrained sampling in machine learning, such as projected Langevin Monte Carlo which are based on discretizations of reflected Langevin dynamics, require differentiable log densities that limits their applicability. This paper introduces reflected anchored Langevin dynamics (RALD), a reflected diffusion that converges to non-differentiable targets on constrained domains. The method uses a smooth anchored reference potential and multiplies the drift and noise covariance of its reflected Langevin dynamics by the same state dependent scaling factor. Its Euler-Maruyama discretization with projection gives reflected anchored Langevin Monte Carlo (RALMC) algorithm. We prove explicit convergence bounds and iteration complexity for RALMC in the 2-Wasserstein distance to the target distribution. Numerical experiments are provided to illustrate the theoretical predictions and the empirical performance of the method.
Changwei Tu, Xiaoyu Wang, Yingli Wang +2
Hong Kong University of Science and Technology (Guangzhou), Guangzhou, Guangdong Province, People’s Republic of China · School of Mathematical Sciences, Fudan University, Shanghai, People’s Republic of China · School of Mathematics and Statistics, Beijing Institute of Technology, Beijing 100081, People’s Republic of China +1
We propose penalized nonreversible Langevin algorithms for sampling from π(x)∝e−f(x)1C(x), where C⊂Rd is a compact convex set. The algorithms combine a squared distance penalty with constant or compatible state dependent skew symmetric perturbations that preserve the penalized Gibbs distribution. For smooth, possibly nonconvex f, we derive nonasymptotic total variation bounds for the full gradient algorithm under a log Sobolev inequality. When unbiased stochastic gradients are available, we establish 2-Wasserstein bounds under global contraction and Lipschitz conditions on the full drift in an adapted quadratic metric. For a fixed penalty parameter, the error relative to the penalized Gibbs distribution decays exponentially to an O(η) neighborhood, where η is the stepsize. We also bound the discrepancy between the penalized Gibbs distribution and the constrained target. In a two dimensional quadratic model, we establish nonreversible acceleration by tuning the skew perturbation to the curvature imbalance induced by penalization. With the target accuracy and smaller curvature fixed and initial Wasserstein distances uniformly bounded, tuning the skew perturbation improves the sufficient Euler iteration bound from linear to logarithmic in the curvature ratio. Numerical experiments evaluate the algorithms on constrained Bayesian regression, classification, neural networks, and truncated sampling, and examine the acceleration mechanism in a stochastic quadratic model.
Pervez Ali, Weihao Dong, Xiaoyu Wang
Department of Mathematics, Florida State University, Tallahassee, Florida, United States of America · Hong Kong University of Science and Technology (Guangzhou), Guangzhou, Guangdong, People’s Republic of China · FinTech Thrust, Hong Kong University of Science and Technology (Guangzhou), Guangzhou, Guangdong, People’s Republic of China
Obtaining stable diffusion-based samplers in high- and infinite-dimensional settings is challenging because errors can accumulate across high-frequency coordinates and make the dynamics unstable under refinement of the finite-dimensional approximation of the underlying function-space problem. Discretization is a typical source of such errors, and preconditioning with a suitable spectral decay is one way to control their accumulation. In this paper, we study this problem for preconditioned annealed Langevin dynamics (ALD) applied to Gaussian mixtures. We first show that Euler-Maruyama (EM) discretization, by treating the stiff linear part of the annealed score with a forward Euler step, imposes a stability constraint coupling the preconditioner with the annealed covariance scale. Together with the conditions ensuring dimension-uniform control of the annealed dynamics, this constraint forces the initial smoothed law to remain uniformly close to the target across dimensions. We then consider an exponential-integrator scheme that integrates the stiff linear part of the annealed score exactly. Under explicit spectral summability conditions coupling the smoothing covariance, the component covariance spectra, and the preconditioner, we prove a dimension-uniform Kullback-Leibler (KL) bound for this scheme. This bound can be made arbitrarily small, uniformly in dimension, by allowing enough time for annealing and then refining the time mesh accordingly. Importantly, these conditions allow regimes in which the KL divergence between the target and the initial smoothed law diverges with dimension, showing that the restrictions imposed by EM are scheme-dependent rather than intrinsic to ALD.
Lorenzo Baldassari, Josselin Garnier, Knut Solna +1
University of Basel · Ecole Polytechnique, IP Paris · University of California Irvine +1