Papers for

single-cell data scientists

Papers whose findings have a practical use for this group, as judged from the abstract. Open a paper to read what it means in practice.

Generative modeling of probability distributions on curved spaces

When Riemann flows with Wasserstein: Generative Modeling of Probability Distributions on Manifolds

Abstract: Many scientific datasets, such as molecular conformational ensembles or single-cell tissue measurements, are naturally modeled as meta-distributions: distributions over probability measures on non-Euclidean domains. Existing generative methods largely assume Euclidean geometry and fail to capture this structure. We introduce Riemannian Wasserstein Entropic Flow Matching (RWEFM), a generative framework on the Wasserstein space $\mathcal{P}_2(\mathcal{M})$ of a Riemannian manifold $(\mathcal{M},g)$. RWEFM is trained by regressing a neural vector field onto Riemannian optimal transport velocities, using McCann displacement interpolations as conditional paths. We confirm theoretically that this construction leads to a valid flow matching approach on $\mathcal{P}_2(\mathcal{M})$ and introduce the Riemannian Entropic Map, a GPU-efficient approximation of the optimal transport map on manifolds. Our experiments show that by respecting the intrinsic geometry of the data, RWEFM can generate whole single-cell samples in hyperspherical latent spaces and protein conformational ensembles on the torus. As RWEFM requires only a geodesic distance and a projection operator, it is not restricted to manifolds with closed-form geometry, which we demonstrate by generating distributions on a general triangulated mesh.

Tue 22 SeptMachine Learning
The gist
Many real-world datasets have complex shapes that can't be described using simple flat geometry. This paper introduces a new method that respects the curved nature of these spaces to more accurately generate new data. The authors developed a technique that learns paths between probability distributions on curved surfaces, making it possible to create realistic samples in settings like molecule shapes or cell data. Their approach works efficiently with different curved shapes and even irregular surfaces.
Open → 2609.25659v1