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Metric Flow Matching for Smooth Interpolations on the Data Manifold

NeurIPS 2024 · Probabilistic and scientific modeling › Molecules and proteins · approach: Flow matching generative modeling · 3 citations (OpenAlex)

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Proposes Metric Flow Matching (MFM), a simulation-free conditional flow matching framework whose interpolants are learned approximate geodesics of a data-dependent Riemannian metric (LAND/RBF), and applies it to trajectory inference, LiDAR navigation, unpaired image translation, and single-cell dynamics.

Problem

Conditional flow matching uses straight-line interpolants under Euclidean geometry, which can leave the data manifold and fail to model nonlinear dynamics in trajectory inference (e.g., single-cell data).

Approach

Learn interpolants x_{t,eta} = (1-t)x0 + t x1 + t(1-t)phi(x0,x1) by minimizing the kinetic energy under a task-agnostic, data-dependent diagonal Riemannian metric (LAND or RBF), so that the approximate geodesics stay near the data; then regress a vector field with the standard CFM objective, without simulating geodesics.

Key results

Measured effects reported in the paper

What was changedWhereMeasuredEffect
Use OT-LAND instead of OT-CFMSingle-cell trajectory inference · Cite (5-dim PCA)Wasserstein-1 distance: 0.882 ± 0.058 -> 0.724 ± 0.070Helped
Use OT-LAND instead of OT-CFMSingle-cell trajectory inference · EB (5-dim PCA)Wasserstein-1 distance: 0.790 ± 0.068 -> 0.713 ± 0.039Helped
Use OT-LAND instead of OT-CFMSingle-cell trajectory inference · Multi (5-dim PCA)Wasserstein-1 distance: 0.937 ± 0.054 -> 0.890 ± 0.123Helped
Use OT-RBF instead of OT-CFMSingle-cell trajectory inference · Cite (100D)Wasserstein-1 distance: 45.393 ± 0.416 -> 41.784 ± 1.020Helped
Use OT-RBF instead of OT-CFMSingle-cell trajectory inference · Multi (100D)Wasserstein-1 distance: 54.814 ± 5.858 -> 50.906 ± 4.627Helped

Limitations

Experimental setup

Datasets: Arch Sphere LiDAR Mt. Rainier AFHQ Embryoid body CITE-seq Multiome

Benchmarks: Arch Sphere LiDAR AFHQ EB CITE-seq Multiome

Metrics: Wasserstein-1 distance EMD FID LPIPS

Baselines: OT-CFM I-CFM SF2M-Geo SF2M-Exact WLF-UOT DSB TrajectoryNet Reg. CNF

Builds on: Conditional Flow Matching Riemannian Flow Matching LAND metric GSBM OT-CFM

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