Enhanced Prediction of CAR T-Cell Cytotoxicity with Quantum-Kernel Methods

Fuente: arXiv
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Main Authors: Utro, Filippo, Tolunay, Meltem, Rhrissorrakrai, Kahn, Gujarati, Tanvi P., Shi, Jie, Capponi, Sara, Amico, Mirko, Earnest-Noble, Nate, Parida, Laxmi
Format: Preprint
Published: 2025
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author Utro, Filippo
Tolunay, Meltem
Rhrissorrakrai, Kahn
Gujarati, Tanvi P.
Shi, Jie
Capponi, Sara
Amico, Mirko
Earnest-Noble, Nate
Parida, Laxmi
author_facet Utro, Filippo
Tolunay, Meltem
Rhrissorrakrai, Kahn
Gujarati, Tanvi P.
Shi, Jie
Capponi, Sara
Amico, Mirko
Earnest-Noble, Nate
Parida, Laxmi
contents Chimeric antigen receptor (CAR) T-cells are T-cells engineered to recognize and kill specific tumor cells. Through their extracellular domains, CAR T-cells bind tumor cell antigens which triggers CAR T activation and proliferation. These processes are regulated by co-stimulatory domains present in the intracellular region of the CAR T-cell. Through integrating novel signaling components into the co-stimulatory domains, it is possible to modify CAR T-cell phenotype. Identifying and experimentally testing new CAR constructs based on libraries of co-stimulatory domains is nontrivial given the vast combinatorial space defined by such libraries. This leads to a highly data constrained, poorly explored combinatorial problem, where the experiments undersample all possible combinations. We propose a quantum approach using a Projected Quantum Kernel (PQK) to address this challenge. PQK operates by embedding classical data into a high dimensional Hilbert space and employs a kernel method to measure sample similarity. Using 61 qubits on a gate-based quantum computer, we demonstrate the largest PQK application to date and an enhancement in the classification performance over purely classical machine learning methods for CAR T cytotoxicity prediction. Importantly, we show improved learning for specific signaling domains and domain positions, particularly where there was lower information highlighting the potential for quantum computing in data-constrained problems.
format Preprint
id arxiv_https___arxiv_org_abs_2507_22710
institution arXiv
publishDate 2025
record_format arxiv
spellingShingle Enhanced Prediction of CAR T-Cell Cytotoxicity with Quantum-Kernel Methods
Utro, Filippo
Tolunay, Meltem
Rhrissorrakrai, Kahn
Gujarati, Tanvi P.
Shi, Jie
Capponi, Sara
Amico, Mirko
Earnest-Noble, Nate
Parida, Laxmi
Machine Learning
Quantitative Methods
Quantum Physics
Chimeric antigen receptor (CAR) T-cells are T-cells engineered to recognize and kill specific tumor cells. Through their extracellular domains, CAR T-cells bind tumor cell antigens which triggers CAR T activation and proliferation. These processes are regulated by co-stimulatory domains present in the intracellular region of the CAR T-cell. Through integrating novel signaling components into the co-stimulatory domains, it is possible to modify CAR T-cell phenotype. Identifying and experimentally testing new CAR constructs based on libraries of co-stimulatory domains is nontrivial given the vast combinatorial space defined by such libraries. This leads to a highly data constrained, poorly explored combinatorial problem, where the experiments undersample all possible combinations. We propose a quantum approach using a Projected Quantum Kernel (PQK) to address this challenge. PQK operates by embedding classical data into a high dimensional Hilbert space and employs a kernel method to measure sample similarity. Using 61 qubits on a gate-based quantum computer, we demonstrate the largest PQK application to date and an enhancement in the classification performance over purely classical machine learning methods for CAR T cytotoxicity prediction. Importantly, we show improved learning for specific signaling domains and domain positions, particularly where there was lower information highlighting the potential for quantum computing in data-constrained problems.
title Enhanced Prediction of CAR T-Cell Cytotoxicity with Quantum-Kernel Methods
topic Machine Learning
Quantitative Methods
Quantum Physics
url https://arxiv.org/abs/2507.22710