arXiv:2604.19369cs.CV2026-04中稿 · IEEE/CVF Conferenc…

无需调参,自动识别质谱成像中离子图像的形态模式,提升峰检测效果。

IonMorphNet: Generalizable Learning of Ion Image Morphologies for Peak Picking in Mass Spectrometry Imaging

论文配图:IonMorphNet: Generalizable Learning of Ion Image Morphologies for Peak Picking in Mass Spectrometry Imaging
图 1 · 摘自论文原文
  • 基于空间结构特征学习离子图像模式,实现无监督峰提取。
  • 在多数据集上比现有方法提升7% mSCF1指标。
  • 适合需要跨协议泛化且不擅长调参的质谱成像研究者。

质谱成像(MSI)中的峰检测是关键预处理步骤,每个样本包含数百至数千张离子图像。现有方法依赖特定数据集的超参数调优,难以跨采集协议泛化。本文提出IonMorphNet,一种面向离子图像空间结构的表征模型,实现完全数据驱动的峰检测,无需任务特定监督。我们收集了53个公开的MSI数据集,并定义六类典型空间模式用于训练标准图像主干网络进行结构分类。模型训练完成后,可直接评估离子图像并完成峰检测,无需额外调参。采用ConvNeXt V2-Tiny主干网络,该方法在多个数据集上相比当前最优方法提升了7% mSCF1。此外,基于空间感知的通道压缩使3D CNN在基于图像块的肿瘤分类中表现优异,在三个肿瘤分类任务中达到最高+7.3%平衡准确率,表明其具备有意义的离子图像选择能力。代码与模型权重已开源。

原文摘要 · Abstract (English)

Peak picking is a fundamental preprocessing step in Mass Spectrometry Imaging (MSI), where each sample is represented by hundreds to thousands of ion images. Existing approaches require careful dataset-specific hyperparameter tuning, and often fail to generalize across acquisition protocols. We introduce IonMorphNet, a spatial-structure-aware representation model for ion images that enables fully data-driven peak picking without any task-specific supervision. We curate 53 publicly available MSI datasets and define six structural classes capturing representative spatial patterns in ion images to train standard image backbones for structural pattern classification. Once trained, IonMorphNet can assess ion images and perform peak picking without additional hyperparameter tuning. Using a ConvNeXt V2-Tiny backbone, our approach improves peak picking performance by +7 % mSCF1 compared to state-of-the-art methods across multiple datasets. Beyond peak picking, we demonstrate that spatially informed channel reduction enables a 3D CNN for patch-based tumor classification in MSI. This approach matches or exceeds pixel-wise spectral classifiers by up to +7.3 % Balanced Accuracy on three tumor classification tasks, indicating meaningful ion image selection. The source code and model weights are available at https://github.com/CeMOS-IS/IonMorphNet.

质谱成像峰检测图像表征无监督学习

Thank you to arXiv for use of its open access interoperability. PaperDance 不是 arXiv 官方产品;中文卡片由大模型生成,请以原文为准。