The Poisson Midpoint Method for Langevin Dynamics: Provably Efficient Discretization for Diffusion Models

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.

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Peer review

Reviewer p2Nt7/10 · confidence 3/52024-07-12

Summary

The paper proposes a novel, multi-step discretization method for SDEs, with particular applications to the Langevin diffusions (overdamped and underdamped) and the denoising diffusion model SDE. The rates obtained are better than any other known guarantees in KL divergence.

Strengths

The discretization proposed appears to be completely novel, and the analytic framework (using CLT type arguments) has not appeared before in this context. The rates are state of the art in KL, clearly surpassing the previous best known discretizations in KL without any caveats. The experimental evidence is thorough and appears to suggest that this discretization is indeed better than a naive one, for the diffusion model setting.

Weaknesses

The algorithm as described in the paper is somewhat cumbersome to read. Perhaps some simpler exposition or visualization may be helpful. The rates obtained are worse than those of the randomized midpoint discretizations (noting that these latter rates are only valid in Wasserstein distance).

Questions

Although the notation in Section 2 is necessary to capture all the cases considered in this work, it is a bit cumbersome and makes the results difficult to parse. Perhaps for the proof sketch, only the OLMC case could be presented. The final rates have some somewhat strange dependence on the key parameters; for instance, the dependence on dimension is $d^{5/12}$ for the underdamped PLMC. Do the authors have any intuition whether the rates obtained in their analysis are close to optimal for this discretization, and whether it would be possible to improve it with slight algorithmic modifications? Is the method extendible to the case where the tail growth of the potential is of order $|x|^\alpha$, for $\alpha < 2$? Or the case of weak smoothness? Minor: 59: stochastic approximations LMC -> "stochastic approximations of LMC" 70: denotes identity -> denotes the identity 108 "Motive" -> "motivate" 206: Theorem 1; I believe this is meant to refer to Theorem 3. Many equations/inline formulas are missing punctuation. For instance Eq. 6, Steps 3-5 (ll 145-149).

Rating

7

Confidence

3

Soundness

3

Presentation

3

Contribution

3

Limitations

The authors have adequately addressed the limitations of their work.

Reviewer HMqT5/10 · confidence 3/52024-07-12

Summary

In this work, the authors draw inspiration from the randomized midpoint method for Langevin dynamics and design a new method called the poisson midpoint method. They establish guarantees for this method relative to the EM discretisation with thinning, and discuss theoretical and practical applications to sampling.

Strengths

### Originality and Significance The idea is quite interesting, and binning the unit interval to perform a randomized midpoint discretization is novel in my view. This clearly is not a straightforward innovation despite seeming like one. The theoretical statements also help characterize the benefits of this new strategy, which appear to be shown under weaker conditions than those required for sampling. Practically, this is also very appealing as the computational costs for the applications to generative modelling is lower than now-standard techniques when fixing the requirement (i.e., low FID). ### Quality and Clarity The idea is well-motivated, but I feel like the paper could be a lot more clearly presented, especially to be accessible to broader audiences. Please see the weaknesses / questions section below.

Weaknesses

The writing of the paper can be definitely improved. It appears a bit rushed in multiple key areas, and several definitions and procedures are stated without much consideration towards the readability of those portions. Since there is a new method being proposed, it would help if intuition for this method is proposed, not just for the idea, but also the design of the method itself. Additionally, when certain complex steps (relative to other methods described in the paper like LMC) are mentioned (see the Algorithm and Computational complexity paragraph on Page 5), it would help to explain each (or a subset of them) in layman's terms to connect them to method (the two equations (7) and (8) on the previous page). The theoretical result in Section 3, specifically theorem 1 has inconsistent terminology ($B$ is the Brownian motion, $\mathsf{S}(...)$ and $\mathsf{PS}$ are lacking a $b$, $B$, $b$, $\beta$, the role of $r$ and the randomness of the expectation is unclear. In the next theorems, the authors state "Lower Order Terms" instead of a small-O notation would have seemed more appropriate. The paragraph on quadratic speedup is also quite hastily presented in my opinion, because it is still not clear to me how the speedup is represented.

Questions

1. What is $p_{\tau}$ in Eq. (4)? 2. As mentioned in Page 2, $A_\alpha$, $G_\alpha$, $\Gamma_\alpha$ are time independent, and so DDPM doesn't fall under the model in (1) right? How is DDPM relevant to the scheme (1) in that case? 3. The scaling relations part of Section 2.1 could perhaps be placed later on? It's difficult to understand its purpose since it seems disconnected from the rest of the main draft. 4. In Line 109, "speed up" is usually a computational term. Is this alluding to the "speed up" discussed later in Section 3 (in which case it might help to reference it here)? 5. Since RLMC is also relatively complex (in comparison to a standard forward EM discretization), it would help to remark on how this is implemented, even if briefly. As written, it is essentially a combination of two discretizations: one forward, and one backward, and the backward discretization is the harder one to implement. 6. The section of text between Lines 118--123 is very hard to follow. Since it is essential to the intuition, I would recommend that it be reworded suitably to be more formal and less colloquial. What is $\mathrm{law}(Z + \epsilon)$ and $\mathrm{law}(Z + \epsilon Z')$? 7. I feel like the claim of "replacing K steps with one step" is not quite true, since eqs (7), (8) are each performing K steps each right? 8. In eq (7), could the authors perhaps give some intuition about the summation on the RHS, and what the cheap interpolation is actually performing? A diagram would help greatly, but it is understandable if this is difficult to provide. 9. In (8), what is the purpose of H_{t,i}? Why don't the $\Gamma$, $A$, $G$ terms not have a "i" scaling like in the cheap interpolation? 10. Why does $I_t$ have $N$ elements, and what is $N$ here? Initial conditions / conventions for the recursion in step 2 would be better off being stated apriori. What is $\mathrm{Corr}$ in Step 4? 11. Where is the computational complexity discussed in the paragraph on the top of page 5? 12. How is there no dependence on the $\{X_{t}\}$ sequence in Eq. 10? 13. Why is this strange dependence on 14th moment in Assumption 2 present?

Rating

5

Confidence

3

Soundness

3

Presentation

1

Contribution

3

Limitations

Yes.

Reviewer F8sy5/10 · confidence 4/52024-07-26

Summary

Based on the Randomized Midpoint Method (RMM) proposed for simulating the Langevin Dynamics numerically, the authors proposed a variant called the Poisson Midpoint Method (PMM). Theoretical analysis is performed to bound the deviation between the continuous dynamics and the discretized dynamics. Moreover, when PMM is applied to simulate the Langevin Dynamics, the authors have shown that PMM can accelerate both the Overdamped Langevin Monte Carlo (OLMC) and the Underdamped Langevin Monte Carlo (ULMC) under additional assumptions like isoperimetry. Furthermore, numerical experiments on image generation with DDPM are conducted to illustrate the effectiveness of the proposed method.

Strengths

This paper is technically solid with a complete list of related work. The contributions are stated in a clear way. Also, a complete set of numerical experiments on diffusion models is included to illustrate the effectiveness of the proposed method.

Weaknesses

The presentation of this paper can be potentially improved from a few aspects. Firstly, it seems a bit weird to use the phrase "lower order terms" (see for instance, line 167-168, 172-173, 205-206) in mathematical equations and derivations. One possible alternative is to replace it via the big O notation. Secondly, the authors might consider clarifying the differences between Langevin Dynamics and the backward SDE in diffusion model. One important thing that probably needs to stated clearly is that PMM is a method for simulating general time-dependent SDE (like the reversed SDE in diffusion models), but this paper only provides theoretical analysis for the case when PMM is applied to simulate Langevin Dynamics. Furthermore, it seems that the authors didn't discuss potential topics for future work.

Questions

One major concern of the reviewer is that one assumption in the paper seems to be too strong. Specifically, Assumption 2 in the paper bounds the 14-th moment of the distance between the starting point and the global minima. To the best of the reviewer's knowledge, such assumption seems to be uncommon in sampling literature. Would it be possible for the authors to elaborate a bit more on why this assumption is essential here? It seems that this assumption essentially restricts the starting point to be a warm start, which makes the sampling task easier.

Rating

5

Confidence

4

Soundness

3

Presentation

2

Contribution

2

Limitations

A few typos (the list is probably incomplete) in the current version of the manuscript are also listed below: 1. From line 179-180, the two phrases "to OLMC" and "to ULMC" appeared twice. The two sentences probably need to revised. 2. In line 206, the subtitle should be "Sketch for Theorem 3". Moreover, the following sentence should be "This is similar to Theorem 2".

Reviewer HMqT2024-08-04

Cannot see individual rebuttals

Hello authors, I'm unable to see the individual rebuttal (at least those pertaining to my review). Could you please check if the visibility of the rebuttal has been set correctly?

Authorsrebuttal2024-08-05

As per the email from the PC, the official rebuttal becomes visible to the reviewers on August 7th. We have submitted the rebuttals, but they are currently invisible to you. Apologies about the confusion -- we did not realize that this comment would be visible earlier.

Reviewer F8sy2024-08-09

Response to the authors' rebuttal

Dear authors, Thank you so much for your detailed response, which have addressed most of my concerns. By reading other reviewers' comments, I agree with them that the presentation of the paper can be improved from many aspects. It would help improve the quality of the manuscript if the authors could follow the suggestions to revise the paper accordingly. Best regards, Reviewer F8sy

Reviewer HMqT2024-08-10

Thank you for your rebuttal

I have no further questions, and I feel that the contributions of the paper is very interesting, albeit poorly presented. Improvements to the presentations as suggested by multiple reviewers would certainly make this a good paper. I maintain by score on the basis of this.

Reviewer p2Nt2024-08-13

I thank the authors for their response. In particular, given that they claim to be able to extend this analysis even to the weakly smooth and Poincare cases, I believe this framework has enough power and novelty to be accepted. Hence, I have raised my score. I was mistaken regarding the comparison with randomized midpoint; the dimension dependence is worse (which is still mysterious to me) but the inverse accuracy dependence is indeed better as noted by the authors. I thank the authors for their correction.

Program Chairsdecision2024-09-25

Decision

Accept (poster)

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