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Metric Flow Matching for Smooth Interpolations on the Data Manifold

About

Matching objectives underpin the success of modern generative models and rely on constructing conditional paths that transform a source distribution into a target distribution. Despite being a fundamental building block, conditional paths have been designed principally under the assumption of Euclidean geometry, resulting in straight interpolations. However, this can be particularly restrictive for tasks such as trajectory inference, where straight paths might lie outside the data manifold, thus failing to capture the underlying dynamics giving rise to the observed marginals. In this paper, we propose Metric Flow Matching (MFM), a novel simulation-free framework for conditional flow matching where interpolants are approximate geodesics learned by minimizing the kinetic energy of a data-induced Riemannian metric. This way, the generative model matches vector fields on the data manifold, which corresponds to lower uncertainty and more meaningful interpolations. We prescribe general metrics to instantiate MFM, independent of the task, and test it on a suite of challenging problems including LiDAR navigation, unpaired image translation, and modeling cellular dynamics. We observe that MFM outperforms the Euclidean baselines, particularly achieving SOTA on single-cell trajectory prediction.

Kacper Kapu\'sniak, Peter Potaptchik, Teodora Reu, Leo Zhang, Alexander Tong, Michael Bronstein, Avishek Joey Bose, Francesco Di Giovanni• 2024

Related benchmarks

TaskDatasetResultRank
Population Growth Modeling50D CITE t=3
W133.212
12
Population Growth Modeling50D CITE t=1
W128.314
12
Population Growth Modeling50D CITE t=2
W1 Score28.617
12
Cell population dynamics prediction50D Mouse t=2
W1 Score11.449
11
Trajectory InferenceEB dataset 5D (test)
W1 (t=1)0.449
11
Trajectory Inference100D EB dataset t=1
W110.806
11
Trajectory Inference100D EB dataset t=2
W112.348
11
Trajectory Inference100D EB dataset (t=3)
W1 Error13.622
11
Trajectory Inference50D EB dataset t=1
W18.506
11
Cell population dynamics prediction50D Mouse (t=1)
W1 Score7.788
11
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