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Langevin Monte Carlo Beyond Lipschitz Gradient Continuity (2412.09698v1)

Published 12 Dec 2024 in stat.ML and cs.LG

Abstract: We present a significant advancement in the field of Langevin Monte Carlo (LMC) methods by introducing the Inexact Proximal Langevin Algorithm (IPLA). This novel algorithm broadens the scope of problems that LMC can effectively address while maintaining controlled computational costs. IPLA extends LMC's applicability to potentials that are convex, strongly convex in the tails, and exhibit polynomial growth, beyond the conventional $L$-smoothness assumption. Moreover, we extend LMC's applicability to super-quadratic potentials and offer improved convergence rates over existing algorithms. Additionally, we provide bounds on all moments of the Markov chain generated by IPLA, enhancing its analytical robustness.

Summary

  • The paper introduces the Inexact Proximal Langevin Algorithm (IPLA) which extends Langevin Monte Carlo beyond Lipschitz gradient continuity to handle a wider range of potentials.
  • IPLA offers improved convergence rates and provides moment bounds for the generated Markov chain under relaxed assumptions.
  • This method broadens LMC's applicability to scenarios with non-quadratic potential behavior, such as in Bayesian inference and computational physics.

Insight into Langevin Monte Carlo Beyond Lipschitz Gradient Continuity

The paper addresses significant challenges in the field of Langevin Monte Carlo (LMC) methods, by introducing the Inexact Proximal Langevin Algorithm (IPLA). This algorithm marks a progression from traditional LMC techniques by relaxing the assumption of LL-smoothness, which restricts the Lipschitz continuity of gradients. This advancement permits an exploration of potentials that are merely convex and may be strongly convex in the tails, while also allowing for polynomial growth beyond the quadratic order. This broadens the scope of LMC applications significantly, opening up applicability to a wider range of potential functions.

Introduction and Background

Langevin Monte Carlo algorithms have found widespread use for sampling and optimization tasks across various complex, high-dimensional problems. These fields include machine learning, statistics, and computational physics, where such algorithms are prized for their scaling potential with dimensionality and effectiveness in managing non-smooth components. Traditionally, LMC methods utilize the gradient log-density, assumed to be Lipschitz continuous, to sample from a target distribution efficiently. This assumption, while simplifying the analysis, restricts the variety of potential functions V(x)V(x) that can be effectively handled.

Key Contributions and Theoretical Results

The paper innovatively extends the scope of traditional LMC by employing IPLA, allowing the exploration of potentials beyond the typical bounds of LL-smoothness by modifying the Overdamped Langevin Equation. This modification is accomplished by using the proximal operator applied to the potential function, integrated with Gaussian noise—a process iteratively executed while maintaining controlled computational overhead. The proximal operator acts to prevent the algorithm from diverging, particularly in regions where the potential's quadratic approximation may fail.

From a theoretical standpoint, IPLA provides improvements in convergence rates over existing LMC algorithms, especially concerning potentials with super-quadratic behavior. The paper also includes moment bounds for the Markov chain generated by IPLA, extending to all orders of moments—this not only strengthens the theoretical foundation of the algorithm but also improves analytical robustness.

Numerical experiments, as presented in the paper, reveal the competitiveness of IPLA when compared to traditional methods, especially in high-dimensional simulations. These results are indicative of IPLA's ability to exceed where classical approaches, given restrictive assumptions, cannot effectively work.

Practical and Theoretical Implications

The evolution of LMC to accommodate potentials of arbitrary polynomial growth considerably widens its practical applicability, especially in scenarios like those encountered in Bayesian inference and other inferential models, where the prior knowledge may dictate non-quadratic behavior. This adaptability is invaluable in cutting-edge fields such as computational physics, which often require complex simulations (e.g., Ginzburg--Landau potentials) that do not conform neatly to simple mathematical approximations by LL-smooth functions.

The implications of this paper are manifold:

  • Broadening Accessibility: By relaxing stringent assumptions on gradient smoothness, IPLA can be applied more broadly, accommodating a wider variety of physical simulation models and machine learning tasks.
  • Enhanced Theoretical Underpinnings: Providing moment bounds and convergence guarantees under less restrictive assumptions enhances the toolset available to researchers working on large-scale probabilistic models.
  • Potential for Future Development: Further studies can explore IPLA’s capabilities in other complex optimization landscapes, possibly leading to new hybrid algorithmic techniques showcasing superior sampling efficiency or thermal equilibrium conditions in physical systems.

Conclusion

The introduction of IPLA stands as a robust enhancement over the classical Langevin Monte Carlo methods by lifting constraints on gradient continuity, achieving wider applicability with refined convergence rates. This work challenges existing limitations and paves the way for further advancements in high-dimensional sampling methodologies. As a research community, exploring these new domains and further optimizing these algorithms could dramatically improve the precision and scalability of model predictions in diverse scientific and engineering applications.

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