Variational and Explanatory Neural Networks for Encoding Cancer Profiles and Predicting Drug Responses

Fuente: arXiv
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Auteurs principaux: Feng, Tianshu, Gnanaolivu, Rohan, Safikhani, Abolfazl, Liu, Yuanhang, Jiang, Jun, Chia, Nicholas, Partin, Alexander, Vasanthakumari, Priyanka, Zhu, Yitan, Wang, Chen
Format: Preprint
Publié: 2024
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author Feng, Tianshu
Gnanaolivu, Rohan
Safikhani, Abolfazl
Liu, Yuanhang
Jiang, Jun
Chia, Nicholas
Partin, Alexander
Vasanthakumari, Priyanka
Zhu, Yitan
Wang, Chen
author_facet Feng, Tianshu
Gnanaolivu, Rohan
Safikhani, Abolfazl
Liu, Yuanhang
Jiang, Jun
Chia, Nicholas
Partin, Alexander
Vasanthakumari, Priyanka
Zhu, Yitan
Wang, Chen
contents Human cancers present a significant public health challenge and require the discovery of novel drugs through translational research. Transcriptomics profiling data that describes molecular activities in tumors and cancer cell lines are widely utilized for predicting anti-cancer drug responses. However, existing AI models face challenges due to noise in transcriptomics data and lack of biological interpretability. To overcome these limitations, we introduce VETE (Variational and Explanatory Transcriptomics Encoder), a novel neural network framework that incorporates a variational component to mitigate noise effects and integrates traceable gene ontology into the neural network architecture for encoding cancer transcriptomics data. Key innovations include a local interpretability-guided method for identifying ontology paths, a visualization tool to elucidate biological mechanisms of drug responses, and the application of centralized large scale hyperparameter optimization. VETE demonstrated robust accuracy in cancer cell line classification and drug response prediction. Additionally, it provided traceable biological explanations for both tasks and offers insights into the mechanisms underlying its predictions. VETE bridges the gap between AI-driven predictions and biologically meaningful insights in cancer research, which represents a promising advancement in the field.
format Preprint
id arxiv_https___arxiv_org_abs_2407_04486
institution arXiv
publishDate 2024
record_format arxiv
spellingShingle Variational and Explanatory Neural Networks for Encoding Cancer Profiles and Predicting Drug Responses
Feng, Tianshu
Gnanaolivu, Rohan
Safikhani, Abolfazl
Liu, Yuanhang
Jiang, Jun
Chia, Nicholas
Partin, Alexander
Vasanthakumari, Priyanka
Zhu, Yitan
Wang, Chen
Quantitative Methods
Artificial Intelligence
Human cancers present a significant public health challenge and require the discovery of novel drugs through translational research. Transcriptomics profiling data that describes molecular activities in tumors and cancer cell lines are widely utilized for predicting anti-cancer drug responses. However, existing AI models face challenges due to noise in transcriptomics data and lack of biological interpretability. To overcome these limitations, we introduce VETE (Variational and Explanatory Transcriptomics Encoder), a novel neural network framework that incorporates a variational component to mitigate noise effects and integrates traceable gene ontology into the neural network architecture for encoding cancer transcriptomics data. Key innovations include a local interpretability-guided method for identifying ontology paths, a visualization tool to elucidate biological mechanisms of drug responses, and the application of centralized large scale hyperparameter optimization. VETE demonstrated robust accuracy in cancer cell line classification and drug response prediction. Additionally, it provided traceable biological explanations for both tasks and offers insights into the mechanisms underlying its predictions. VETE bridges the gap between AI-driven predictions and biologically meaningful insights in cancer research, which represents a promising advancement in the field.
title Variational and Explanatory Neural Networks for Encoding Cancer Profiles and Predicting Drug Responses
topic Quantitative Methods
Artificial Intelligence
url https://arxiv.org/abs/2407.04486