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Main Authors: Zhao, Yuhan, Tennant, Jacob, Yang, James, Guo, Zhishan, Whang, Young, Sui, Ning
Format: Preprint
Published: 2026
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Online Access:https://arxiv.org/abs/2603.24265
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author Zhao, Yuhan
Tennant, Jacob
Yang, James
Guo, Zhishan
Whang, Young
Sui, Ning
author_facet Zhao, Yuhan
Tennant, Jacob
Yang, James
Guo, Zhishan
Whang, Young
Sui, Ning
contents Cancer drug response varies widely across tumors due to multi-layer molecular heterogeneity, motivating computational decision support for precision oncology. Despite recent progress in deep CDR models, robust alignment between high-dimensional multi-omics and chemically structured drugs remains challenging due to cross-modal misalignment and limited inductive bias. We present DeepDTF, an end-to-end dual-branch Transformer fusion framework for joint log(IC50) regression and drug sensitivity classification. The cell-line branch uses modality-specific encoders for multi-omics profiles with Transformer blocks to capture long-range dependencies, while the drug branch represents compounds as molecular graphs and encodes them with a GNN-Transformer to integrate local topology with global context. Omics and drug representations are fused by a Transformer-based module that models cross-modal interactions and mitigates feature misalignment. On public pharmacogenomic benchmarks under 5-fold cold-start cell-line evaluation, DeepDTF consistently outperforms strong baselines across omics settings, achieving up to RMSE=1.248, R^2=0.875, and AUC=0.987 with full multi-omics inputs, while reducing classification error (1-ACC) by 9.5%. Beyond accuracy, DeepDTF provides biologically grounded explanations via SHAP-based gene attributions and pathway enrichment with pre-ranked GSEA.
format Preprint
id arxiv_https___arxiv_org_abs_2603_24265
institution arXiv
publishDate 2026
record_format arxiv
spellingShingle DeepDTF: Dual-Branch Transformer Fusion for Multi-Omics Anticancer Drug Response Prediction
Zhao, Yuhan
Tennant, Jacob
Yang, James
Guo, Zhishan
Whang, Young
Sui, Ning
Machine Learning
I.2.6; I.5.1; J.3
Cancer drug response varies widely across tumors due to multi-layer molecular heterogeneity, motivating computational decision support for precision oncology. Despite recent progress in deep CDR models, robust alignment between high-dimensional multi-omics and chemically structured drugs remains challenging due to cross-modal misalignment and limited inductive bias. We present DeepDTF, an end-to-end dual-branch Transformer fusion framework for joint log(IC50) regression and drug sensitivity classification. The cell-line branch uses modality-specific encoders for multi-omics profiles with Transformer blocks to capture long-range dependencies, while the drug branch represents compounds as molecular graphs and encodes them with a GNN-Transformer to integrate local topology with global context. Omics and drug representations are fused by a Transformer-based module that models cross-modal interactions and mitigates feature misalignment. On public pharmacogenomic benchmarks under 5-fold cold-start cell-line evaluation, DeepDTF consistently outperforms strong baselines across omics settings, achieving up to RMSE=1.248, R^2=0.875, and AUC=0.987 with full multi-omics inputs, while reducing classification error (1-ACC) by 9.5%. Beyond accuracy, DeepDTF provides biologically grounded explanations via SHAP-based gene attributions and pathway enrichment with pre-ranked GSEA.
title DeepDTF: Dual-Branch Transformer Fusion for Multi-Omics Anticancer Drug Response Prediction
topic Machine Learning
I.2.6; I.5.1; J.3
url https://arxiv.org/abs/2603.24265