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Record W4410317465 · doi:10.3390/ijms26104655

M-GNN: A Graph Neural Network Framework for Lung Cancer Detection Using Metabolomics and Heterogeneous Graph Modeling

2025· article· en· W4410317465 on OpenAlexafffund
Maria Vaida, Jiawen Wu, Eyad Himdiat, Jean-Françoise Haince, Rashid Ahmed Bux, Guoyu Huang, Paramjit S. Tappia, Bram Ramjiawan, W. Randolph Ford

Bibliographic record

VenueInternational Journal of Molecular Sciences · 2025
Typearticle
Languageen
FieldBiochemistry, Genetics and Molecular Biology
TopicMetabolomics and Mass Spectrometry Studies
Canadian institutionsUniversity of ManitobaSt. Boniface Hospital
FundersInstitut universitaire de cardiologie et de pneumologie de Québec, Université LavalUniversité Laval
KeywordsMetabolomeMetabolomicsLung cancerComputer scienceGraphMachine learningArtificial intelligenceBioinformaticsBiologyMedicineOncology

Abstract

fetched live from OpenAlex

Lung cancer remains the leading cause of cancer-related mortality worldwide, with early detection critical for improving survival rates, yet conventional methods like CT scans often yield high false-positive rates. This study introduces M-GNN, a graph neural network framework leveraging GraphSAGE, to enhance early lung cancer detection through metabolomics. We constructed a heterogeneous graph integrating metabolomics data from 800 plasma samples (586 cases, 214 controls) with demographic features and Human Metabolome Database annotations, employing GraphSAGE and GAT layers for inductive learning on 107 metabolites, pathways, and diseases. M-GNN achieved a test accuracy of 89% and an ROC-AUC of 0.92, with rapid convergence within 400 epochs and robust performance across ten random seeds; key predictors included age, height, choline, Valine, Betaine, and Fumaric Acid, reflecting smoking and metabolic dysregulation. This framework offers a scalable, interpretable tool for precision oncology, surpassing benchmarks by capturing complex biological interactions, though limitations like synthetic data biases and computational demands suggest future validation with real-world cohorts and optimization. M-GNN advances lung cancer screening, promising improved survival through early detection and personalized strategies.

Fetched live from OpenAlex and de-inverted. Abstracts are not stored in this database: the inverted indexes are 8.6 GB of the frame’s 9.3 GB of text, and the host has 13 GB free.

How this classification was reachedexpand

Full frame machine prediction

Teacher imitation

Not calibrated prevalence, not ground truth. Human validation pending. The Gemma side is a direct model label for every work in the frame, read from the title-only record. The Codex side is a classifier learned from the 10,348 direct Codex labels and calibrated to design-weighted sample rates; fields without enough sample support carry no Codex call. Candidate is the union of the two sides; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels.

metaresearch head score (Codex)0.001
metaresearch head score (Gemma)0.002
Version: metacan-v3-hybrid-931329e0061cValidation status: machine_predicted_unvalidated
Candidate categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Simulation or modeling · Consensus signal: Simulation or modeling
GenreCandidate signal: Empirical · Consensus signal: none
Teacher disagreement score0.024
Threshold uncertainty score0.048

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0010.002
Meta-epidemiology (narrow)0.0010.000
Meta-epidemiology (broad)0.0010.001
Bibliometrics0.0010.001
Science and technology studies0.0000.000
Scholarly communication0.0010.001
Open science0.0010.001
Research integrity0.0010.001
Insufficient payload (model declined to judge)0.0020.000

Machine scores (provisional)

The two teacher heads of the student model, read on this work. A score orders the frame for review; it never asserts a category, and the validation status ships verbatim with every row.

Baseline scores from an immature model (maturity gate not passed, 7 training rounds). Scores rank; they never assert a category.

Opus teacher head0.017
GPT teacher head0.325
Teacher spread0.307 · how far apart the two teachers sit on this one work
Validation statusscore_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from it

Classification

machine, unvalidated

Machine predicted; a candidate call from one source (direct Gemma or distilled Codex), not a consensus.

The models applied no category: nothing in the taxonomy fit this work.
Study designSimulation or modeling
Domainnot available
GenreEmpirical

How this classification was reached, model by model and score by score, is at the end of the page under "How this classification was reached".

Quick stats

Citations6
Published2025
Admission routes2
Has abstractyes

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Same venueInternational Journal of Molecular Sciences→Same topicMetabolomics and Mass Spectrometry Studies→French-language works237,207→