arXiv Machine Learning

Pheno-GS: Phenoscape-scale Geodesic Sinkhorn

Pheno-GS is a new method for computing scalable, geometry-aware optimal transport distances between large patient cohorts of single‑cell data. It uses graph connectivity regularization, an unbalanced OT formulation with KL marginal penalties, and a batched matrix algorithm that dramatically speeds up pairwise distance calculations. The authors validate the approach on synthetic benchmarks and a CyTOF perturbation dataset.

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
Sep 17

A General Kernel Framework for Non-CND Distance Measures Using |D|-Dimensional Sparse Landmark Embeddings

The paper introduces the Sparse Landmark Embedding (SLE) kernel, a new framework that removes the need for conditionally negative definite (CND) distance measures in kernel methods and Gaussian Processes. By embedding each input into a sparse feature vector using compactly supported bump functions centered at all training points, any standard positive semi-definite (PSD) kernel can be applied in this embedding space, guaranteeing PSD for arbitrary distance measures. The authors provide theoretical guarantees on PSD, sparsity, stability, and universal approximation, and show through experiments with geodesic and Wasserstein distances that the SLE kernel matches or surpasses domain-specific baselines in predictive accuracy and uncertainty quantification.

By Marcus M. Noack, Maher B. Alghalayini, Mark D. Risser
arXiv Machine Learning
Jul 27

Local-Global Geometric Insights for Graph Neural Networks via Entropic Curvature

arXiv:2607. 22381v1 Announce Type: new Abstract: Curvature notions on graphs, particularly Ollivier-Ricci and Forman, have emerged as powerful tools for addressing fundamental issues in Graph Neural Networks (GNNs) such as oversmoothing and oversquashing, but rely almost exclusively on local edge-level comparisons and therefore fail to certify how information actually propagates over long distances.

By Rachid Caich, Yassine Abbahaddou
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