A graph neural network-based model with Out-of-Distribution Robustness for enhancing Antiretroviral Therapy Outcome Prediction for HIV-1

Fuente: arXiv
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Autori principali: Di Teodoro, Giulia, Siciliano, Federico, Guarrasi, Valerio, Vandamme, Anne-Mieke, Ghisetti, Valeria, Sönnerborg, Anders, Zazzi, Maurizio, Silvestri, Fabrizio, Palagi, Laura
Natura: Preprint
Pubblicazione: 2023
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author Di Teodoro, Giulia
Siciliano, Federico
Guarrasi, Valerio
Vandamme, Anne-Mieke
Ghisetti, Valeria
Sönnerborg, Anders
Zazzi, Maurizio
Silvestri, Fabrizio
Palagi, Laura
author_facet Di Teodoro, Giulia
Siciliano, Federico
Guarrasi, Valerio
Vandamme, Anne-Mieke
Ghisetti, Valeria
Sönnerborg, Anders
Zazzi, Maurizio
Silvestri, Fabrizio
Palagi, Laura
contents Predicting the outcome of antiretroviral therapies (ART) for HIV-1 is a pressing clinical challenge, especially when the ART includes drugs with limited effectiveness data. This scarcity of data can arise either due to the introduction of a new drug to the market or due to limited use in clinical settings, resulting in clinical dataset with highly unbalanced therapy representation. To tackle this issue, we introduce a novel joint fusion model, which combines features from a Fully Connected (FC) Neural Network and a Graph Neural Network (GNN) in a multi-modality fashion. Our model uses both tabular data about genetic sequences and a knowledge base derived from Stanford drug-resistance mutation tables, which serve as benchmark references for deducing in-vivo treatment efficacy based on the viral genetic sequence. By leveraging this knowledge base structured as a graph, the GNN component enables our model to adapt to imbalanced data distributions and account for Out-of-Distribution (OoD) drugs. We evaluated these models' robustness against OoD drugs in the test set. Our comprehensive analysis demonstrates that the proposed model consistently outperforms the FC model. These results underscore the advantage of integrating Stanford scores in the model, thereby enhancing its generalizability and robustness, but also extending its utility in contributing in more informed clinical decisions with limited data availability. The source code is available at https://github.com/federicosiciliano/graph-ood-hiv
format Preprint
id arxiv_https___arxiv_org_abs_2312_17506
institution arXiv
publishDate 2023
record_format arxiv
spellingShingle A graph neural network-based model with Out-of-Distribution Robustness for enhancing Antiretroviral Therapy Outcome Prediction for HIV-1
Di Teodoro, Giulia
Siciliano, Federico
Guarrasi, Valerio
Vandamme, Anne-Mieke
Ghisetti, Valeria
Sönnerborg, Anders
Zazzi, Maurizio
Silvestri, Fabrizio
Palagi, Laura
Quantitative Methods
Machine Learning
68
I.2.6
Predicting the outcome of antiretroviral therapies (ART) for HIV-1 is a pressing clinical challenge, especially when the ART includes drugs with limited effectiveness data. This scarcity of data can arise either due to the introduction of a new drug to the market or due to limited use in clinical settings, resulting in clinical dataset with highly unbalanced therapy representation. To tackle this issue, we introduce a novel joint fusion model, which combines features from a Fully Connected (FC) Neural Network and a Graph Neural Network (GNN) in a multi-modality fashion. Our model uses both tabular data about genetic sequences and a knowledge base derived from Stanford drug-resistance mutation tables, which serve as benchmark references for deducing in-vivo treatment efficacy based on the viral genetic sequence. By leveraging this knowledge base structured as a graph, the GNN component enables our model to adapt to imbalanced data distributions and account for Out-of-Distribution (OoD) drugs. We evaluated these models' robustness against OoD drugs in the test set. Our comprehensive analysis demonstrates that the proposed model consistently outperforms the FC model. These results underscore the advantage of integrating Stanford scores in the model, thereby enhancing its generalizability and robustness, but also extending its utility in contributing in more informed clinical decisions with limited data availability. The source code is available at https://github.com/federicosiciliano/graph-ood-hiv
title A graph neural network-based model with Out-of-Distribution Robustness for enhancing Antiretroviral Therapy Outcome Prediction for HIV-1
topic Quantitative Methods
Machine Learning
68
I.2.6
url https://arxiv.org/abs/2312.17506