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This research establishes new theoretical bounds for Langevin sampling, demonstrating that deterministic midpoint discretizations can outperform randomized counterparts in high-dimensional settings. By leveraging Malliavin calculus and exploiting cancellation at stationarity, the study provides tighter complexity estimates for gradient queries compared to previous standard coupling methods. The findings offer significant insights for optimizing sampling algorithms used in advanced machine learning and statistical inference tasks.
Sharp dimensional analysis of midpoint methods for Langevin sampling
arXiv:2610.06308v1 Announce Type: cross Abstract: We study deterministic and randomized midpoint discretizations of Langevin dynamics for a target $\pi \propto e^{-V}$, where $0 \prec \alpha I\preceq\nabla^2V\preceq\beta I$ and $\kappa=\beta/\alpha$. To achieve $\sqrt\alpha\,W_2\leqslant\varepsilon$, we show that deterministic Heun uses at most $\widetilde O(\kappa^{4/3}d^{1/3}\varepsilon^{-2/3})$ gradient queries, and underdamped exponential midpoint uses $\widetilde O(\kappa^{5/4}d^{1/4}\varepsilon^{-1/2})$. The proofs exploit cancellation at stationarity and smoothing using techniques from Malliavin calculus, outperforming previous upper bounds based on standard couplings. At bounded condition number, a lower bound matches the $d$ and $\varepsilon$ powers of both deterministic methods. To contrast, for the randomized midpoint methods and Poisson midpoint with at least two grid points (both overdamped and underdamped variants), a simple Gaussian calculation yields a lower bound $d^{1/3}\varepsilon^{-1/3}$ to get an $\varepsilon$-close sample despite starting at a benign initialization. This shows surprisingly that in high dimensions, deterministic discretizations can outperform their random counterparts.
Abstract:We study deterministic and randomized midpoint discretizations of Langevin dynamics for a target $\pi \propto e^{-V}$, where $0 \prec \alpha I\preceq\nabla^2V\preceq\beta I$ and $\kappa=\beta/\alpha$. To achieve $\sqrt\alpha\,W_2\leqslant\varepsilon$, we show that deterministic Heun uses at most $\widetilde O(\kappa^{4/3}d^{1/3}\varepsilon^{-2/3})$ gradient queries, and underdamped exponential midpoint uses $\widetilde O(\kappa^{5/4}d^{1/4}\varepsilon^{-1/2})$. The proofs exploit cancellation at stationarity and smoothing using techniques from Malliavin calculus, outperforming previous upper bounds based on standard couplings. At bounded condition number, a lower bound matches the $d$ and $\varepsilon$ powers of both deterministic methods. To contrast, for the randomized midpoint methods and Poisson midpoint with at least two grid points (both overdamped and underdamped variants), a simple Gaussian calculation yields a lower bound $d^{1/3}\varepsilon^{-1/3}$ to get an $\varepsilon$-close sample despite starting at a benign initialization. This shows surprisingly that in high dimensions, deterministic discretizations can outperform their random counterparts.
Statistics Theory (math.ST); Data Structures and Algorithms (cs.DS); Machine Learning (cs.LG); Numerical Analysis (math.NA)
arXiv:2610.06308 [math.ST]
(or arXiv:2610.06308v1 [math.ST] for this version)
https://doi.org/10.48550/arXiv.2610.06308 Focus to learn more arXiv-issued DOI via DataCite (pending registration)
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