arXiv Machine Learning

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%.

arXiv Machine Learning
4d ago

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.

By Qiangwei Peng, Lezhi Chen, Peijie Zhou
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
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 AI
Sep 18

Dynamic Generalized Gromov-Wasserstein Optimal Transport

The paper introduces TP‑DATE, a dynamic framework that extends Gromov–Wasserstein optimal transport (GW‑OT) to reconstruct continuous trajectories without simulation. It formulates a broad class of static and dynamic Quadratic‑form OT (QOT) via path actions, proving static‑dynamic equivalence, and develops travelling‑pair flow matching to capture interacting conditional paths in a single vector field. Experiments on synthetic and real spatial transcriptomics data show that TP‑DATE better preserves spatial structure and improves 3D dynamics reconstruction.

By Junda Ying, Zhiwei Zeng, Peijie Zhou, Lei Zhang
Hugging Face Trending Papers
Sep 17

Dynamic Generalized Gromov-Wasserstein Optimal Transport

Dynamic Generalized Gromov-Wasserstein Optimal Transport extends classical optimal transport by incorporating structure-aware transport costs, which is especially relevant for spatial transcriptomics where preserving tissue structure is crucial. The paper introduces TP-DATE, a simulation-free framework that generalizes GW-OT dynamically, formulating static and dynamic Quadratic-form OT through path actions and proving their equivalence. TP-DATE employs travelling-pair flow matching to enable interacting conditional paths, resulting in better preservation of spatial structure and improved continuous 3D dynamics reconstruction on both synthetic and real spatial transcriptomics data.

arXiv Machine Learning
Oct 5

Generalizable single-cell perturbation response prediction using energy-guided flow matching

The paper introduces scEGFlow, an energy‑guided flow matching framework that predicts how single cells respond to perturbations by modeling continuous transitions from control to perturbed states. It uses conditional flow matching and condition‑specific energy gradients to dynamically adjust predictions without retraining, achieving superior performance on imaging and transcriptomic benchmarks, even for unseen perturbations or limited data. The method preserves cellular manifold geometry, heterogeneity, and accurately recapitulates gene‑expression regulatory patterns.

By Jianan Wei, Jiajun Hong, Guikun Chen, Ning Yang, Lifeng Fan, Wenguan Wang