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Reflected Diffusion Models (2304.04740v3)

Published 10 Apr 2023 in stat.ML and cs.LG

Abstract: Score-based diffusion models learn to reverse a stochastic differential equation that maps data to noise. However, for complex tasks, numerical error can compound and result in highly unnatural samples. Previous work mitigates this drift with thresholding, which projects to the natural data domain (such as pixel space for images) after each diffusion step, but this leads to a mismatch between the training and generative processes. To incorporate data constraints in a principled manner, we present Reflected Diffusion Models, which instead reverse a reflected stochastic differential equation evolving on the support of the data. Our approach learns the perturbed score function through a generalized score matching loss and extends key components of standard diffusion models including diffusion guidance, likelihood-based training, and ODE sampling. We also bridge the theoretical gap with thresholding: such schemes are just discretizations of reflected SDEs. On standard image benchmarks, our method is competitive with or surpasses the state of the art without architectural modifications and, for classifier-free guidance, our approach enables fast exact sampling with ODEs and produces more faithful samples under high guidance weight.

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Authors (2)
  1. Aaron Lou (13 papers)
  2. Stefano Ermon (279 papers)
Citations (44)

Summary

Overview of Reflected Diffusion Models

Reflected Diffusion Models, as detailed in the paper, present an enhancement to traditional diffusion models by incorporating data constraints into their generative process. The models effectively leverage reflected stochastic differential equations (SDEs) to guide the evolution of data distributions while adhering to specific data support boundaries. This approach rectifies the mismatch between training and sampling processes prevalent in conventional diffusion models that rely on thresholding techniques to project sampled data within acceptable domains.

Problem Statement and Methodology

Traditional score-based diffusion models transform data distributions into noise through a defined forward process. However, the reverse generation process, fraught with compounded numerical errors, often leads to unnatural samples, particularly when handling complex tasks. Prior strategies, such as thresholding, have mitigated this issue by constraining samples within their natural domains post hoc, though this introduces discrepancies between training and generative phases.

Reflected Diffusion Models propose an alternative by employing a reflected SDE, ensuring the generative model inherits the constraints inherent to the data domain directly. This involves refining SDEs with reflections at boundary hits, effectively barring excursions outside the data support. A key innovation lies in training the model using a constrained denoising score matching (CDSM) method. This novel framework scales well with high-dimensional data and simplifies the transition from modeling to practice without necessitating architectural changes.

Theoretical and Empirical Contributions

The paper makes significant theoretical contributions by establishing that reflected SDEs can effectively substitute for the thresholding operations in conventional models. It demonstrates that dynamic and static thresholding techniques only approximate the behavior of reflected processes under discrete conditions, while the presented models do so intrinsically and continuously.

Empirical tests on image generation tasks using standard benchmarks illustrate that Reflected Diffusion Models are consistently competitive with, or even surpass, the current state of the art in terms of Inception and Fréchet Inception Distances. Particularly notable is their capability to maintain sample fidelity under high guidance weights without inducing oversaturation artifacts common when thresholded models are improperly aligned.

Practical Implications and Future Directions

The adoption of Reflected Diffusion Models opens the door to more reliable generative models in applications requiring stringent adherence to domain constraints. This has direct implications for tasks in image synthesis, natural language processing, and molecular modeling, where domain-specific bounds are critical.

Theoretical explorations could extend these concepts into even more generalized domains and constraints, while practical advancements may focus on optimizing and empowering architectures for text-to-image systems or exploring variational autoencoders in conjunction with Reflected Diffusion Models.

Conclusion

Reflected Diffusion Models present a coherent and theoretically grounded improvement over traditional diffusion models. Their alignment of training and sampling processes not only rectifies common generative discrepancies but also eliminates complex post hoc adjustments traditionally required. As such, they establish a new frontier in the development of diffusion-based generative models, presenting vast potential for expanded applications and deeper theoretical investigations in the field of machine learning and artificial intelligence.

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