mlsanityData to 14 Oct 2026

scShapeBench: Discovering geometry from high dimensional scRNAseq data

arXiv 2605.12662 ↗First posted 12 May 2026cs.LG q-bio.GNcited by 0

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Abstract (arXiv)

High-dimensional point cloud data arise across many scientific domains, especially single-cell biology. The shapes or topologies of these datasets determine the types of information that can be extracted. For example, clustered data supports cell-type identification, trajectory structures support transition analysis, and archetypal structures capture continua of cellular behaviors. Existing analysis pipelines often assume a specific shape. The standard Seurat pipeline combines UMAP visualization with Louvain clustering and therefore assumes clustered data, while tools such as Monocle and SPADE assume tree-like structures, and flow-based models such as MIOFlow and Conditional Flow Matching target trajectories. Choosing which pipeline to apply is therefore often left to bioinformaticians who visually inspect datasets before selecting an analysis strategy. With the rise of agentic AI scientists, automating shape detection is increasingly important for selecting downstream analysis pipelines. To address this problem, we introduce scShapeBench, a benchmark dataset for shape detection containing both synthetic and expert-annotated single-cell datasets. Synthetic datasets are sampled from ground-truth skeleton graphs with controlled variance. Real single-cell datasets are curated from diverse sources and annotated by experts into four categories: clusters, single trajectory, multi-branching, and archetypal. We additionally introduce scReebTower, a baseline method that uses diffusion geometry to extract Reeb graphs and connect visualization with pipeline selection. We provide topology-aware evaluation metrics and compare scReebTower against PAGA and Mapper on synthetic and real data. Our results indicate that scReebTower outperforms existing baselines. Overall, our contributions span benchmarks, evaluation metrics, and a baseline for automated shape detection in single-cell data.

Key facts. No citing papers in the map yet (data through 14 Oct 2026). Builds on 6 of its 30 references that are in the map. First posted on arXiv 12 May 2026.

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6 of 30 references.

References · 6

  1. 2018How Powerful are Graph Neural Networks?cited by 4,393
  2. 2018UMAP: Uniform Manifold Approximation and Projection for Dimension Reductioncited by 2,898
  3. 2019Strategies for Pre-training Graph Neural Networkscited by 971
  4. 2015Persistence Images: A Stable Vector Representation of Persistent Homologycited by 236
  5. 2020TrajectoryNet: A Dynamic Optimal Transport Network for Modeling Cellular Dynamicscited by 160
  6. 2019Coarse Graining of Data via Inhomogeneous Diffusion Condensationcited by 9

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  1. 2026Verifiable Benchmarking of Long-Horizon Spatial Biology
  2. 2026What Topological and Geometric Structure Do Biological Foundation Models Learn? Evidence from 141 Hypotheses
  3. 2021Visualizing hierarchies in scRNA-seq data using a density tree-biased autoencoder
  4. 2026scPilot: Large Language Model Reasoning Toward Automated Single-Cell Analysis and Discovery
  5. 2026CellPath-Bench: A Multidimensional Benchmark for Whole-Slide Cellular Representations in Pathology Foundation Models
  6. 2026MIOFlow 2.0: A unified framework for inferring cellular stochastic dynamics from single cell and spatial transcriptomics data
  7. 2026A Persistent Homology Design Space for 3D Point Cloud Deep Learning
  8. 2023Can point cloud networks learn statistical shape models of anatomies?