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The Poisson Midpoint Method for Langevin Dynamics: Provably Efficient Discretization for Diffusion Models (2405.17068v3)

Published 27 May 2024 in cs.LG, cs.NA, math.NA, and stat.ML

Abstract: Langevin Dynamics is a Stochastic Differential Equation (SDE) central to sampling and generative modeling and is implemented via time discretization. Langevin Monte Carlo (LMC), based on the Euler-Maruyama discretization, is the simplest and most studied algorithm. LMC can suffer from slow convergence - requiring a large number of steps of small step-size to obtain good quality samples. This becomes stark in the case of diffusion models where a large number of steps gives the best samples, but the quality degrades rapidly with smaller number of steps. Randomized Midpoint Method has been recently proposed as a better discretization of Langevin dynamics for sampling from strongly log-concave distributions. However, important applications such as diffusion models involve non-log concave densities and contain time varying drift. We propose its variant, the Poisson Midpoint Method, which approximates a small step-size LMC with large step-sizes. We prove that this can obtain a quadratic speed up of LMC under very weak assumptions. We apply our method to diffusion models for image generation and show that it maintains the quality of DDPM with 1000 neural network calls with just 50-80 neural network calls and outperforms ODE based methods with similar compute.

Citations (1)

Summary

  • The paper introduces a Poisson Midpoint Method that approximates multiple small Euler-Maruyama steps with one larger step, achieving a quadratic speed-up over standard Langevin Monte Carlo.
  • It establishes rigorous theoretical error bounds and demonstrates up to 4x computational efficiency gains in generating high-quality samples for diffusion models.
  • The authors detail practical implementation considerations, including optimal parameter settings that reduce neural network evaluations without compromising output quality.

The Poisson Midpoint Method for Langevin Dynamics

Introduction

The paper "The Poisson Midpoint Method for Langevin Dynamics: Provably Efficient Discretization for Diffusion Models" presents a novel approach to discretize Langevin dynamics efficiently. This method, termed the Poisson Midpoint Method (PMM), offers a promising solution for improving the sampling efficiency in diffusion models, particularly when applied to generative modeling and Bayesian inference tasks. The main contribution of the work is an efficient approximation method that addresses the slow convergence issues often associated with traditional Langevin Monte Carlo (LMC) techniques.

Technical Contributions

Methodology

The Poisson Midpoint Method proposes an efficient discretization scheme for Langevin dynamics by leveraging a stochastic approximation technique. The method approximates several steps of a small step-size Euler-Maruyama discretization with a single step of a larger step-size. This approach is achieved through the careful design of midpoint estimations, where the Poisson process drives the selection of points at which the drift function is evaluated. The approach enables PMM to achieve a quadratic speed-up over LMC without requiring strong assumptions.

Theoretical Advances

The authors provide rigorous theoretical guarantees for the proposed method, demonstrating strong error bounds under minimal assumptions. The method applies to both over-damped and under-damped Langevin dynamics and shows advantages in scenarios where isoperimetric or strong log-concavity conditions are not met. It also provides a framework for efficiently implementing denoising diffusion probabilistic models (DDPMs), maintaining high sample quality with significantly fewer neural network evaluations.

Applications and Results

Empirical results indicate that PMM significantly reduces computational complexity while preserving—or even improving—output quality compared to traditional methods like DDPM with a large number of steps. The method achieves this with far fewer neural network calls, resulting in up to 4x gains in compute efficiency over standard DDPM implementations. Moreover, PMM outperforms ODE-based methods in generating high-quality samples with fewer steps, though its quality diminishes below certain computational thresholds.

Implementation Considerations

The paper outlines several key implementation details critical for practitioners:

  • Parameters and Scaling: The choice of step-size and the number of midpoints play a crucial role in the accuracy and efficiency of PMM. Theoretical results suggest optimal parameter settings that balance error bounds and computational cost.
  • Computational Efficiency: PMM offers a balance between the number of evaluations of the drift function and the quality of simulation. Notably, this method does not require higher-order derivatives of drift functions, which can be restrictive in high-dimensional settings.
  • Application to Diffusion Models: The methodological framework aligns well with the requirements for training-free scheduling in diffusion models. This method provides substantial gains in computational efficiency without necessitating retraining of existing models.

Future Work

The paper opens numerous avenues for further exploration:

  • Extension to Broader Settings: Extending the method to handle more complex stochastic processes and broader classes of target distributions will enhance its applicability in real-world scenarios.
  • Performance in Low-Compute Regimes: Investigating enhancements to maintain quality when the number of neural network calls is severely restricted remains a promising direction.
  • Adaptive Schemes: The development of adaptive step-size techniques within the PMM framework could further optimize performance, particularly in dynamic environments where computational budgets are constrained.

Conclusion

The Poisson Midpoint Method represents a significant advancement in the discretization of Langevin dynamics, providing both theoretical and practical benefits. By addressing the conventional limitations of LMC-based methods, it offers an efficient and scalable solution for various applications in generative modeling and other fields relying on stochastic sampling methods.

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