arXiv AI

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

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
3d ago

A Variational Optimal Transport Operator on Incompressible Flow

The paper introduces the Variational Incompressible Optimal Transport (VIOT) operator, a generative neural operator that predicts divergence‑free velocity fields for incompressible density transport. VIOT combines a stream‑function representation, a regularized transport objective, and a Fourier Neural Operator backbone to amortize the solve across new source‑target pairs and grid resolutions. Experiments on 2D and 3D benchmarks show that VIOT produces full transport trajectories in seconds, achieving roughly a $10^4 imes$ speedup over per‑instance baselines that require hours of optimization.

By Jinjin He, Shenyifan Lu, Sinan Wang, Zhiqi Li, Duowen Chen, Bo Zhu
arXiv Computer Vision
Sep 11

Two-Parameter Flow Map Learning for Continuous-Time Diffeomorphic Image Registration

The paper introduces a new framework for learning continuous-time diffeomorphic image registration by modeling a non-autonomous ODE as a two-parameter flow map. By enforcing cocycle consistency, the method learns flow maps without time discretization or velocity integration during training, enabling efficient inference with few compositions. Experiments on nine datasets show consistent alignment improvements, including a 2.1% Dice gain on brain MRI, 12% TRE reduction on lung CT, and 2.6% Dice improvement on cardiac MRI and ultrasound.

By Mohammadjavad Matinkia, Nilanjan Ray
arXiv Machine Learning
Sep 2

Efficient Adaptation of ROMs for Unsteady Flows Using Data Assimilation

The paper presents a lightweight retraining strategy for a parameterized Reduced Order Model (ROM) that achieves full‑model accuracy using only a fraction of the computational effort and sparse observations. The ROM architecture combines a Variational Autoencoder for dimensionality reduction with a transformer network that evolves latent states while accounting for the Reynolds number as an external control variable. By leveraging the probabilistic VAE, the method generates trajectory ensembles and uncertainty estimates, and adapts to out‑of‑sample parameters through sparse data assimilation with an ensemble Kalman filter, focusing retraining on the autoencoder to correct latent manifold distortions.

By Isma\"el Zighed, Andrea N\'ovoa, Luca Magri, Taraneh Sayadi
arXiv AI
Aug 24

ReCurveflow: A Flow Matching Framework that Learns Curved Reaction Trajectories to Predict Transition State Geometries

ReCurveflow is a flow‑matching framework that learns to predict transition state geometries by training on continuously curved reference paths derived from full NEB bands, rather than straight linear paths. It introduces an off‑path correction mechanism that generates corrective velocity fields when the model encounters geometries off the training path, improving resistance to exposure bias and TS prediction accuracy. Across multiple data splits and evaluation metrics, ReCurveflow outperforms seven baselines and produces reaction trajectories whose energy profiles closely follow the reference NEB path, aiding NEB optimization and demonstrating effective corrective behavior.

By Seungheun Baek, Mogan Gim, Jaewoo Kang
arXiv Machine Learning
Aug 5

A Physics-Flavored Transformer Network for Parametrizing Contraction Dynamics of Engineered Skeletal Muscle Tissues

arXiv:2608. 03927v1 Announce Type: new Abstract: Engineered Skeletal Muscle Tissues (ESMs) have become a key structure for biomedical disease modeling and pharmacological screening, yet their functional characterization often relies on simplistic metrics like peak force, discarding critical kinetic information.

By Mattias Luber, Timo Betz