arXiv Machine Learning

Multiscale Supervised Unbalanced Optimal Transport Flow Matching

Multiscale Supervised Unbalanced Optimal Transport Flow Matching (MUST‑FM) is a simulation‑free framework that scales unbalanced optimal transport (UOT) for single‑cell trajectory inference by exploiting hierarchical data structure. It optionally incorporates supervised transition priors, such as cell lineages, to guide displacement fields and mass variations. Experiments demonstrate reduced computational overhead and robust, biologically meaningful trajectory inference on atlas‑scale single‑cell datasets.

arXiv Machine Learning
Oct 21

PACE: Geometry-Aware Bridge Transport for Single-Cell Trajectory Inference

PACE is a trajectory inference framework that reconstructs continuous transport dynamics from destructive single‑cell time‑course snapshots. It uses a state‑ and time‑dependent anisotropic Riemannian metric to guide transport along tangent directions, alternates between refining cross‑time couplings and fitting neural bridges, and distills the learned dynamics into a global velocity field. Across multiple datasets, PACE outperforms existing methods, reducing key distance metrics by an average of 23.7% and improving RNA‑velocity alignment by 15.4%.

By Chenglei Yu, Chuanrui Wang, Bangyan Liao, Tailin Wu
arXiv AI
Sep 7

Simulation-free Unbalanced Dynamic Optimal Transport with General Growth Penalty

The paper introduces SUDO, a simulation‑free framework for unbalanced dynamic optimal transport (UDOT) that supports general convex growth penalties beyond the quadratic Wasserstein‑Fisher‑Rao case. By showing that concave penalties lead to degenerate solutions, the authors focus on convex penalties, learning conditional paths and transport costs to solve a semi‑coupling problem and then applying unbalanced flow matching. On benchmark datasets, SUDO matches the accuracy of analytical WFR solvers while being faster than simulation‑based methods, and it also handles asymmetric penalties that better reflect proliferation‑dominant biological priors.

By Junda Ying, Yuxuan Wang, Bowen Yang, Peijie Zhou, Lei Zhang
arXiv Machine Learning
Jun 2

Flow-Based Density Ratio Estimation for Intractable Distributions with Applications in Genomics

arXiv:2602. 24201v2 Announce Type: replace Abstract: Estimating density ratios between pairs of intractable data distributions is a core problem in probabilistic modeling, enabling principled comparisons of sample likelihoods under different data-generating processes across conditions.

By Egor Antipov, Alessandro Palma, Lorenzo Consoli, Stephan G\"unnemann, Andrea Dittadi, Fabian J. Theis
arXiv Machine Learning
Sep 29

Distribution-Conditioned Transport

The paper introduces Distribution‑Conditioned Transport (DCT), a framework that learns transport maps conditioned on embeddings of source and target distributions, allowing generalization to unseen distribution pairs. DCT supports semi‑supervised learning for distributional forecasting by leveraging distributions observed at only one condition. It is agnostic to the transport mechanism and is demonstrated on synthetic benchmarks and four biological applications, including batch effect transfer in single‑cell genomics and modeling T‑cell receptor sequence evolution.

By Nic Fishman, Gokul Gowri, Paolo L. B. Fischer, Marinka Zitnik, Omar Abudayyeh, Jonathan Gootenberg
arXiv AI
Oct 9

Finsler Flow Matching: Dynamics-Aware Geodesic Interpolation for Single-Snapshot Trajectory Inference

The paper introduces Finsler Flow Matching (FFM), a method for learning continuous stochastic dynamics from discrete Markov transition graphs in single‑cell snapshot data. FFM constructs a Finsler geometry using first and second local moments, learns directed geodesics via neural networks, and employs these to build geometry‑aware stochastic paths that can be simulated without explicit score or flow matching. Benchmark tests show that FFM better recovers intermediate cellular states, especially when dynamics are directional or anisotropic.

By Niklas Canova, Jonas Simon Fleck