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Flow Matching on General Geometries

ICLR 2024 · Probabilistic and scientific modeling › Variational and generative sampling · approach: Expressive invertible architectures · 5 citations (OpenAlex)

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Proposes Riemannian Flow Matching, a simulation-free method for training continuous normalizing flows on manifolds via premetric-defined conditional vector fields, using geodesic distances on simple geometries and spectral (biharmonic/diffusion) distances on general triangular meshes.

Problem

Training continuous normalizing flows / generative models on Riemannian manifolds is either simulation-heavy, biased due to score or divergence approximations, or fails to scale to high dimensions and general geometries such as meshes and manifolds with boundaries.

Approach

Defines conditional flows through a user-specified premetric whose gradient gives a closed-form conditional vector field (linearly decreasing the premetric), using exact geodesic distances on simple manifolds and finite-k spectral distances (biharmonic, diffusion) with Neumann eigenfunctions on general meshes and manifolds with boundaries.

Key results

Measured effects reported in the paper

What was changedWhereMeasuredEffect
use Riemannian Flow Matching with geodesic distanceRiemannian CNF · Volcanotest NLL: -6.61 ± 0.96 -> -7.93 ± 1.67Helped
use Riemannian Flow Matching with geodesic distanceRiemannian CNF · Earthquaketest NLL: -0.40 ± 0.05 -> -0.28 ± 0.08Hurt
use Riemannian Flow Matching with geodesic distanceRiemannian CNF · Floodtest NLL: 0.25 ± 0.02 -> 0.42 ± 0.05Hurt
use Riemannian Flow Matching with geodesic distanceRiemannian CNF · Firetest NLL: -1.40 ± 0.02 -> -1.86 ± 0.11Helped
use Riemannian Flow Matching with geodesic distanceRiemannian CNF · Protein datasetstest NLL: General: 1.04 ±0.012 -> 1.01 ±0.025; Glycine: 1.97 ±0.012 -> 1.90 ±0.055; Proline: 0.12 ±0.011 -> 0.15 ±0.027; Pre-Pro: Mixed
replace biharmonic distance with diffusion distance (ablation)Riemannian CFM · Stanford Bunny and Spot the Cow meshestest NLL: Stanford Bunny k=10: 1.06 ±0.05 -> 1.16 ±0.02; k=50: 1.55 ±0.01 -> 1.48 ±0.01; k=100: 1.49 ±0.01 -> 1.53 ±0.01; Spot theMixed
increase eigenfunction count from k=10 to k=50 (ablation)Riemannian CFM w/ Diffusion (τ=1/4) · Stanford Bunny meshtest NLL: 1.16 ±0.02 -> 1.48 ±0.01Helped
increase eigenfunction count from k=50 to k=100 (ablation)Riemannian CFM w/ Diffusion (τ=1/4) · Stanford Bunny meshtest NLL: 1.48 ±0.01 -> 1.53 ±0.01Hurt
increase eigenfunction count from k=10 to k=50 (ablation)Riemannian CFM w/ Biharmonic · Stanford Bunny meshtest NLL: 1.06 ±0.05 -> 1.55 ±0.01Hurt
increase eigenfunction count from k=50 to k=100 (ablation)Riemannian CFM w/ Biharmonic · Stanford Bunny meshtest NLL: 1.55 ±0.01 -> 1.49 ±0.01Helped
increase eigenfunction count from k=10 to k=50 (ablation)Riemannian CFM w/ Diffusion (τ=1/4) · Spot the Cow meshtest NLL: 0.87 ±0.07 -> 0.95 ±0.16Hurt
increase eigenfunction count from k=50 to k=100 (ablation)Riemannian CFM w/ Diffusion (τ=1/4) · Spot the Cow meshtest NLL: 0.95 ±0.16 -> 1.08 ±0.05Hurt

Surprising findings

Limitations

Experimental setup

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

Benchmarks: Volcano Earthquake Flood Fire Protein torsion datasets RNA Stanford Bunny mesh Spot the Cow mesh

Metrics: test NLL log-likelihood in bits per dimension

Baselines: Riemannian CNF Moser Flow CNF Matching Riemannian Score-Based Riemannian Diffusion Model Mixture of Power Spherical

Builds on: Flow Matching Conditional Flow Matching Riemannian diffusion models Moser Flow

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