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Understanding Generalizability of Diffusion Models Requires Rethinking the Hidden Gaussian Structure

NeurIPS 2024 · Probabilistic and scientific modeling › Molecules and proteins · approach: Neuro-symbolic probabilistic layers · 0 citations (OpenAlex)

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Shows that well-generalizing diffusion models have increasingly linear denoisers whose best linear approximation (via linear distillation) matches the Gaussian (empirical mean/covariance) optimal denoiser, indicating a Gaussian inductive bias.

Problem

Understanding why diffusion models generalize beyond training data rather than memorizing it, given that the theoretically optimal denoiser over an empirical dataset only reproduces training samples.

Approach

Measure denoiser linearity across noise levels, distill each nonlinear denoiser into a linear model (with bias), and show the distilled linear model matches the Gaussian optimal denoiser defined by the training set's empirical mean and covariance; the Gaussian bias emerges in the generalization regime (large data, small model, or early training).

Key results

Measured effects reported in the paper

What was changedWhereMeasuredEffect
Increase training dataset size at fixed model scaleEDM diffusion models with channel size 128 · FFHQ, intermediate noise variance [0.116,20]score approximation error to Gaussian denoiserHelped
Decrease model scale at fixed dataset sizeEDM diffusion models trained on 1094 images · FFHQ, intermediate noise variance [0.116,20]score discrepancy to Gaussian denoiserHelped
Stop training at an early epoch rather than continuing toward convergenceOverparameterized diffusion model with channel size 128 · FFHQ, 1094 imagesscore difference to Gaussian denoiserMixed
Train on non-overlapping datasets of 35000 images eachChannel-size-128 diffusion models · Strong generalization on S1 and S2similarity of generated images across datasetsHelped
Use a smaller dataset of 1094 rather than 35000 imagesChannel-size-128 diffusion models · Strong generalization on FFHQperceptual qualityHurt
Use Gaussian denoisers instead of nonlinear diffusion denoisersDiffusion image generation · Complex datasets such as CIFAR-10perceptual qualityHurt
Use linear distilled or Gaussian denoisers instead of the multi-delta denoiserDiffusion denoising · Intermediate-noise regime [0.1,20]score approximation errorHelped
Use EDM-VE configuration with tailored skip and output scaling instead of Baseline-VEVE diffusion models · Diffusion denoising and samplinglinearityHelped

Surprising findings

Limitations

Experimental setup

Datasets: FFHQ CIFAR-10 AFHQ LSUN-Churches

Benchmarks: FFHQ CIFAR-10 AFHQ LSUN-Churches

Metrics: linearity score (cosine similarity) NMSE score-difference RMSE generalization (GL) score FID

Baselines: Multi-delta (optimal empirical) denoiser Gaussian denoiser Baseline-VE

Builds on: EDM Wiener filter Gaussian score approximation (Wang & Vastola) memorization in diffusion models (Karras et al.)

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