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On gauge freedom, conservativity and intrinsic dimensionality estimation in diffusion models

ICLR 2024 · Image generation › Fast diffusion sampling · approach: Diffusion theory and learned samplers · 0 citations (OpenAlex)

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The paper derives a gauge-freedom characterization of diffusion-model vector fields via an orthogonal decomposition into conservative and divergence-related components, showing conservativity is neither necessary nor sufficient for exact sampling/density estimation, and proposes a conservative-field-based intrinsic dimensionality estimator.

Problem

Whether the learned vector field of a diffusion model should be constrained to be conservative (a gradient of a scalar energy) for exact density estimation and sampling, and how conservativity affects inferring local manifold information such as intrinsic dimensionality.

Approach

Decomposes any L2(p) vector field orthogonally into a conservative part and a remainder satisfying a gauge-freedom condition (zero divergence-weighted flux relative to the score); exact sampling and density estimation hold iff the conservative part equals the true score, so conservativity is neither necessary nor sufficient. For local geometry, the singular values of the flow Jacobian relate to ei

Key results

Measured effects reported in the paper

What was changedWhereMeasuredEffect
constrain the diffusion vector field to be conservativediffusion model intrinsic-dimensionality estimation · 2D Gaussian embedded in R^5intrinsic dimensionality estimation: 2 vs. 5 singular valuesHelped
use a non-conservative diffusion vector field instead of a conservative onediffusion model intrinsic-dimensionality estimation · Swiss Roll, sphere, and torus; D=3 and D=5intrinsic dimensionality estimationHurt
add a Jacobian-symmetry penalty to the non-conservative vector field (ablation)diffusion model intrinsic-dimensionality estimation · Swiss Roll, sphere, and torus; D=3 and D=5intrinsic dimensionality estimationNo clear effect
increase the number of parameters in the non-conservative vector field (ablation)diffusion model intrinsic-dimensionality estimation · different manifolds and embedding dimensionsintrinsic dimensionality estimationNo clear effect
allow a non-conservative remainder that satisfies the gauge-freedom conditiondiffusion model sampling and density estimation · general diffusion modelssampling and density estimation exactnessNo clear effect
make the diffusion vector field conservative without requiring its conservative component to equal the true scorediffusion model sampling and density estimation · general diffusion modelssampling and density estimation exactnessNo clear effect
use a conservative vector fielddiffusion model intrinsic-dimensionality estimation · sphere with dimension d=D/2-1 embedded in Dintrinsic dimensionality estimationHelped

Surprising findings

Limitations

Experimental setup

Datasets: 2-dimensional Gaussian embedded in R^5 sphere, torus, swiss roll manifolds embedded in R^3 and R^5

Benchmarks: toy manifolds: 2D Gaussian in R^5, spheres, tori, swiss rolls

Metrics: singular value saturation of Jacobian of flow estimated intrinsic dimension

Baselines: non-conservative diffusion model conservative diffusion model (gradient of squared L2 norm) Jacobian symmetry penalty

Builds on: score-based generative modeling with SDEs instantaneous change of variables Skilling-Hutchinson trace estimator normalizing flow intrinsic dimension estimation

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