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Generative Modeling on Manifolds Through Mixture of Riemannian Diffusion Processes

ICML 2024 · Image generation › Fast diffusion sampling · approach: Diffusion theory and learned samplers · 3 citations (OpenAlex)

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Proposes Riemannian Diffusion Mixture, a generative diffusion framework on manifolds built as a mixture of logarithm/spectral bridge processes, trained with a divergence-free two-way bridge matching objective.

Problem

Generative modeling of data distributions on Riemannian manifolds; existing manifold diffusion models need heat kernel approximations or divergence computation, and CNF/flow methods need many in-training simulation steps on general manifolds.

Approach

Construct a manifold diffusion process as a mixture of bridge processes (logarithm bridges or spectral bridges) whose drift is a weighted mean of tangent directions toward data points; train with two-way bridge matching, a divergence-free regression on bridge drifts with time-scaled importance sampling, avoiding heat kernel estimation.

Key results

Measured effects reported in the paper

What was changedWhereMeasuredEffect
Use LogBM instead of the strongest reported baselinemanifold generative modeling · Volcano and Firetest NLL: Volcano: -7.93 -> -9.52; Fire: -1.86 -> -2.47Helped
Use LogBM instead of the strongest reported baselinemanifold generative modeling · Earthquake and Floodtest NLL: Earthquake: -0.38 -> -0.30; Flood: 0.25 -> 0.42Hurt
Use LogBM instead of the strongest reported baselineprotein distribution modeling · General (2D), Glycine (2D), Pre-Pro (2D), and RNA (7D)test NLL: General: 1.01 -> 1.01; Glycine: 1.90 -> 1.89; Pre-Pro: 1.18 -> 1.18; RNA: -5.20 -> -5.27Mixed
Use LogBM instead of RDMprotein distribution modeling · Proline (2D)test NLL: 0.12 -> 0.14Hurt
Use time-scaled sampling instead of uniformly distributed time (ablation)Riemannian Diffusion Mixture · time-scaled training objective experimenttest NLLHelped
Use the same bridge samples for forward and backward directions instead of different samples (ablation)two-way bridge matching · two-way bridge matching ablationperformanceNo clear effect
Use stochastic diffusion mixture rather than a deterministic flowgeneral closed manifold modeling · triangular mesh distributionsperformanceHelped
Use two-way bridge simulation rather than one-way simulationRiemannian Diffusion Mixture training · bridge trajectory simulationtraining speedup: up to ×34.9Helped
Use stochastic mixture process rather than deterministic RFMgeneral manifold training · general closed manifoldstraining speedup: ×12.8Helped

Surprising findings

Limitations

Experimental setup

Datasets: Volcano Earthquake Flood Fire General Glycine Proline Pre-Pro RNA Stanford Bunny Spot the Cow

Benchmarks: Volcano Earthquake Flood Fire General Glycine Proline Pre-Pro RNA Stanford Bunny Spot the Cow

Metrics: test NLL log-likelihood in bits training speedup

Baselines: RCNF Moser Flow CNFM RFM StereoSGM RSGM RDM RSGM-improved MoPS

Builds on: diffusion mixture representation Riemannian Flow Matching Riemannian score-based models Brownian bridge

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