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Research map / Probabilistic and scientific modeling / Variational and generative sampling

Categorical Flow Matching on Statistical Manifolds

NeurIPS 2024 · Probabilistic and scientific modeling › Variational and generative sampling · approach: Flow matching and flow sampling · 5 citations (OpenAlex)

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Proposes Statistical Flow Matching (SFM), a flow-matching framework on the Fisher-Rao statistical manifold of categorical distributions that uses closed-form geodesics via the sphere diffeomorphism, enabling exact likelihood and discrete generation.

Problem

Discrete generative models either rely on Markov jump processes or assume ad hoc geometry (Euclidean simplex or logit space), lacking the true geometry of categorical distributions and exact likelihood.

Approach

Equip the manifold of categorical distributions with the Fisher information metric and map it diffeomorphically (sqrt map) to the positive orthant of the unit sphere, where closed-form geodesics (great circles) allow simulation-free Riemannian flow matching with stable training; exact likelihood via change-of-measure terms and a variational bound for Dirac data.

Key results

Measured effects reported in the paper

What was changedWhereMeasuredEffect
use SFM with optimal transport instead of LinearFMBinarized MNIST generation · Binarized MNISTFID: 5.91 -> 4.62Helped
use SFM with optimal transport instead of LinearFMBinarized MNIST generation · Binarized MNISTNLL: 0.622 ± 0.022 -> -1.687 ± 0.020Helped
add optimal transport (ablation)SFM · Binarized MNISTFID: 5.15 -> 4.62Helped
add optimal transport (ablation)SFM · Binarized MNISTNLL: -1.631 ± 0.027 -> -1.687 ± 0.020Helped
add the diffeomorphism π (ablation)SFM · Binarized MNISTFID: 8.2073 -> 4.62Helped
add the diffeomorphism π (ablation)SFM · Binarized MNISTNLL: 0.928 ± 0.035 -> -1.687 ± 0.020Helped
use SFM instead of LinearFMText8 character generation · Text8BPC: 1.651 ± 0.027 -> 1.399 ± 0.020Helped
add optimal transport (ablation)SFM · Text8BPC: 1.386 ± 0.033 -> 1.399 ± 0.020No clear effect
use SFM without optimal transport instead of SFM with optimal transport (ablation)Promoter design · Promoter DesignSP-MSE: 0.0279 -> 0.0258Helped
use SFM instead of LinearFMPromoter design · Promoter DesignSP-MSE: 0.0282 -> 0.0258Helped

Surprising findings

Limitations

Experimental setup

Datasets: Swiss roll binarized MNIST Text8 human promoter sequence dataset

Benchmarks: binarized MNIST Text8 promoter DNA design (SP-MSE) Swiss roll on simplex

Metrics: NLL FID BPC SP-MSE

Baselines: LinearFM DDSM DirichletFM D3PM DFM SEDD-absorb BFN MultiFlow Argmax Flow Bit-Diffusion

Builds on: Riemannian flow matching conditional flow matching Dirichlet flow matching D3PM SEDD

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