Markedly Enhanced Analysis of Mass Spectrometry Images Using Weakly Supervised Machine Learning.
Small Methods
; 8(7): e2301230, 2024 Jul.
Article
en En
| MEDLINE
| ID: mdl-38204217
ABSTRACT
Supervised and unsupervised machine learning algorithms are routinely applied to time-of-flight secondary ion mass spectrometry (ToF-SIMS) imaging data and, more broadly, to mass spectrometry imaging (MSI). These algorithms have accelerated large-scale, single-pixel analysis, classification, and regression. However, there is relatively little research on methods suited for so-called weakly supervised problems, where ground-truth class labels exist at the image level, but not at the individual pixel level. Unsupervised learning methods are usually applied to these problems. However, these methods cannot make use of available labels. Here a novel method specifically designed for weakly supervised MSI data is presented. A dual-stream multiple instance learning (MIL) approach is adapted from computational pathology that reveals the spatial-spectral characteristics distinguishing different classes of MSI images. The method uses an information entropy-regularized attention mechanism to identify characteristic class pixels that are then used to extract characteristic mass spectra. This work provides a proof-of-concept exemplification using printed ink samples imaged by ToF-SIMS. A second application-oriented study is also presented, focusing on the analysis of a mixed powder sample type. Results demonstrate the potential of the MIL method for broader application in MSI, with implications for understanding subtle spatial-spectral characteristics in various applications and contexts.
Texto completo:
1
Colección:
01-internacional
Base de datos:
MEDLINE
Tipo de estudio:
Prognostic_studies
Idioma:
En
Revista:
Small Methods
Año:
2024
Tipo del documento:
Article
País de afiliación:
Australia