arXiv AI

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.

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 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 Machine Learning
Aug 18

A Unified Geometric Framework for Developmental Analysis of Spatial Transcriptomic Data

arXiv:2608. 15306v1 Announce Type: cross Abstract: High-throughput single-cell and spatial transcriptomic technologies provide high-resolution snapshots of heterogeneous cellular states, but their destructive nature prevents repeated measurements of the same cells over time.

By Mary Chriselda Antony Oliver, Kaitlyn Hohmeier, Tuyen Tran, Alejandra Castillo, Caroline Moosm\"uller, Shiying Li
arXiv Machine Learning
Oct 5

Simulation-Free Learning of Population Dynamics with Wasserstein Lagrangian Residuals

The paper introduces Double‑Stitch, a simulation‑free method for learning population dynamics in Wasserstein space. It penalizes the residual of the equation of motion along a learned path, derived from a Clebsch variational principle that avoids gradient velocities. Experiments on synthetic, single‑cell, and ocean vortex data show that Double‑Stitch matches or surpasses gradient‑flow and simulation‑based methods while training 4–14 times faster.

By Fedor Sergeev, Markus Heinonen, Daniel Waxman, Tim Cooijmans, Ricardo Baptista, Dmitry Batenkov, Eli Bingham
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 Machine Learning
Oct 28

Learning Population Dynamics with Variational Doob-Wasserstein Flow

The paper presents Variational Doob-Wasserstein Flow (VDWF), a simulation-free method for learning unbalanced population dynamics on the Riemannian Wasserstein-Fisher-Rao manifold. VDWF first learns a geometry model with a data-dependent metric to capture intrinsic dynamics, then uses Doob's h-transform to incorporate boundary information for trajectory inference. It employs a growth model to learn dynamics and construct intermediate mass samples in WFR space, analyzes convergence via a uniform Log-Sobolev inequality, and demonstrates competitive performance on real-world datasets for both balanced and unbalanced dynamics.

By Weizhu Qian