arXiv AI

TracingFlow: A Simulation-Free Trajectory Inference Framework Based on Second-Order Dynamics

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
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 19

Learning smooth dynamics via Kinematic Interpolants

The paper introduces Kinematic Interpolants (KI), a new framework that extends stochastic interpolants to infer nonlinear dynamics from multiple snapshots in phase space, incorporating both position and velocity measurements. KI addresses the ambiguity in dynamics inference from real-world data and is scalable without simulation or unnecessary approximations. Experiments on various scientific datasets show that KI reconstructs underlying dynamics more accurately than existing baselines while requiring significantly less training time.

By Yiheng (Roger), Jiang, Youssef Marzouk, Avishek Joey Bose, Aram-Alexandre Pooladian
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
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
1d ago

Learning Implicit Solves for Dynamic Simulations

arXiv:2611.05439v1 Announce Type: new Abstract: High-fidelity simulation of dynamical systems is central to scientific discovery and engineering design, yet remains computationally demanding. Here we...

By Chawit Kaewnuratchadasorn, Jiaji Wang, Xin Nie
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