用量子核方法提升CAR-T细胞杀伤力预测,解决数据稀疏难题。
Enhanced Prediction of CAR T-Cell Cytotoxicity with Quantum-Kernel Methods
- 将经典数据嵌入量子希尔伯特空间,用量子核测相似性
- 61量子比特实现当前最大规模量子核应用,性能优于经典模型
- 在信息少的信号域上表现更优,适合小样本生物实验设计
嵌合抗原受体(CAR)T细胞是经工程改造以识别并杀死特定肿瘤细胞的T细胞。其胞外域结合肿瘤抗原,触发激活与增殖,这一过程由胞内共刺激域调控。通过在共刺激域中引入新型信号组件,可改变CAR-T细胞表型。然而,基于共刺激域库构建新CAR结构并实验测试极为困难,因组合空间庞大而实验采样严重不足,形成高度数据受限、探索不充分的组合问题。本文提出一种基于门控量子计算机的投影量子核(PQK)方法应对该挑战。PQK通过将经典数据嵌入高维希尔伯特空间,并采用核方法衡量样本相似性。在61量子比特上实现了迄今最大的PQK应用,显著提升了对CAR-T细胞杀伤力的分类性能,优于纯经典机器学习方法。尤其在信号域及位置信息较少时表现更佳,凸显量子计算在数据受限问题中的潜力。
原文摘要 · Abstract (English)
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.
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