#18 · ML / AI methods
Richer input representations sharpen pathogen resistance and antigenic site prediction
The dominant thread is input representation rather than model architecture. The HIV study reports that ESM-2 protein language model embeddings with attention pooling outperform XGBoost across 18 drugs, with attention providing interpretability. The H3N2 study applies interpretable gradient-boosted models with SHAP attribution to two hemagglutination inhibition datasets, yielding a consolidated ranking of candidate antigenic sites. What is new is the use of learned protein embeddings and SHAP- or attention-based attribution to make predictions interpretable. The TB atlas differs in method: it is a computational scoring of first-line resistance mutations across 31,073 isolates for effects on viability and drug binding, not a learning approach, and is included only as adjacent evidence.
Published papers
Protein language model embeddings improve HIV drug resistance prediction: a comprehensive benchmark with attention-based interpretability.
ESM-2 protein language model embeddings with attention pooling beat XGBoost for HIV drug resistance prediction across 18 drugs.
Preprints
Better Protein Function Prediction by Modeling Survivorship Bias
Evo-PU, a positive-unlabeled learning framework modeling nucleotide-mutation-driven survivorship bias in protein sequence data, outperforms standard PU, OCC…
Interpretable sequence-based machine learning consolidates candidate H3N2 hemagglutinin antigenic sites
Interpretable gradient-boosted models with SHAP attribution on two H3N2 hemagglutination inhibition datasets yield a consolidated ranking of candidate…
Topic history
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