Explainable machine learning reveals evolutionary signals in influenza haemagglutinin

Identifying amino acid changes that lead to phenotypic change is critical to viral surveillance. Common metrics, such as site-wise evolutionary rates and entropy, are true measures of variability rather than phenotypic importance. Here, I show that supervised, explainable machine learning (ML) models provide a complementary approach to date and classify sequences, identify mutations for host adaptation and control for confounding covariates. I used 39 121 haemagglutinin (H3) protein sequences with passage annotations to create models of sequence change. Gradient-boosted decision trees were trained with encoded amino acids; SHapley Additive exPlanations (SHAP) values quantified site importance. The passage classifier achieved 81% overall accuracy, distinguishing egg grown from unpassaged isolates with nearly 90% recall. A separate regressor predicted sample collection date with R2=0.98 and a mean absolute error of 74.5 days. Moreover, the sites identified as most important showed a strong enrichment for experimentally validated antigenic sites, ranking functionally critical residues far more effectively than traditional metrics. Correlations between SHAP values and standard evolutionary metrics were strong (0.63≤ρ≤0.9). These results demonstrate that explainable ML can reveal important substitutions, deliver tree free molecular dating and may transform passage metadata from a nuisance into an experimental probe.

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Publication Details

Journal
Journal of The Royal Society Interface
Published
2026-06-17
DOI
https://doi.org/10.1098/rsif.2025.1302
Primary Topic
Influenza Virus Research Studies
Type
article
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article

Explainable machine learning reveals evolutionary signals in influenza haemagglutinin

Austin G. Meyer
Journal of The Royal Society Interface
Influenza Virus Research Studies
article

Explainable machine learning reveals evolutionary signals in influenza haemagglutinin

Austin G. Meyer
article en

Abstract

Identifying amino acid changes that lead to phenotypic change is critical to viral surveillance. Common metrics, such as site-wise evolutionary rates and entropy, are true measures of variability rather than phenotypic importance. Here, I show that supervised, explainable machine learning (ML) models provide a complementary approach to date and classify sequences, identify mutations for host adaptation and control for confounding covariates. I used 39 121 haemagglutinin (H3) protein sequences with passage annotations to create models of sequence change. Gradient-boosted decision trees were trained with encoded amino acids; SHapley Additive exPlanations (SHAP) values quantified site importance. The passage classifier achieved 81% overall accuracy, distinguishing egg grown from unpassaged isolates with nearly 90% recall. A separate regressor predicted sample collection date with R2=0.98 and a mean absolute error of 74.5 days. Moreover, the sites identified as most important showed a strong enrichment for experimentally validated antigenic sites, ranking functionally critical residues far more effectively than traditional metrics. Correlations between SHAP values and standard evolutionary metrics were strong (0.63≤ρ≤0.9). These results demonstrate that explainable ML can reveal important substitutions, deliver tree free molecular dating and may transform passage metadata from a nuisance into an experimental probe.

Journal of The Royal Society InterfaceVol. 23(239)
Temple College (US), Baylor Scott & White Medical Center - Temple (US)
Openalex Percentile: Top 8%
Influenza Virus Research Studies
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