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用于半导体制造中小数据集建模的量子核学习:在欧姆接触中的应用

Quantum Kernel Learning for Small Dataset Modeling in Semiconductor Fabrication: Application to Ohmic Contact.

作者信息

Wang Zeheng, Wang Fangzhou, Li Liang, Wang Zirui, van der Laan Timothy, Leon Ross C C, Huang Jing-Kai, Usman Muhammad

机构信息

Data61, CSIRO, Clayton, Melbourn, VIC, 3168, Australia.

Manufacturing, CSIRO, West Lindfield, Sydney, NSW, 2070, Australia.

出版信息

Adv Sci (Weinh). 2025 Sep;12(35):e06213. doi: 10.1002/advs.202506213. Epub 2025 Jun 23.

DOI:10.1002/advs.202506213
PMID:40548955
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC12462921/
Abstract

Modeling complex semiconductor fabrication processes such as Ohmic contact formation remains challenging due to high-dimensional parameter spaces and limited experimental data. While classical machine learning (CML) approaches have been successful in many domains, their performance degrades in small-sample, nonlinear scenarios. In this work, quantum machine learning (QML) is investigated as an alternative, exploiting quantum kernels to capture intricate correlations from compact datasets. Using only 159 experimental GaN HEMT samples, a quantum kernel-aligned regressor (QKAR) is developed combining a shallow Pauli-Z feature map with a trainable quantum kernel alignment (QKA) layer. All models, including seven baseline CML regressors, are evaluated under a unified PCA-based preprocessing pipeline to ensure a fair comparison. QKAR consistently outperforms classical baselines across multiple metrics (MAE, MSE, RMSE), achieving a mean absolute error of 0.338 Ω·mm when validated on experimental data. Noise robustness and generalization are further assessed through cross-validation and new device fabrication. These findings suggest that carefully constructed QML models can provide predictive advantages in data-constrained semiconductor modeling, offering a foundation for practical deployment on near-term quantum hardware. While challenges remain for both QML and CML, this study demonstrates QML's potential as a complementary approach in complex process modeling tasks.

摘要

对诸如欧姆接触形成等复杂的半导体制造工艺进行建模仍然具有挑战性,这是由于参数空间维度高且实验数据有限。虽然经典机器学习(CML)方法在许多领域都取得了成功,但其在小样本、非线性场景下的性能会下降。在这项工作中,研究了量子机器学习(QML)作为一种替代方法,利用量子核来从紧凑的数据集中捕捉复杂的相关性。仅使用159个实验性氮化镓高电子迁移率晶体管(GaN HEMT)样本,开发了一种量子核对齐回归器(QKAR),它将一个浅的泡利 - Z特征映射与一个可训练的量子核对齐(QKA)层相结合。所有模型,包括七个基线CML回归器,都在基于主成分分析(PCA)的统一预处理管道下进行评估,以确保公平比较。QKAR在多个指标(平均绝对误差、均方误差、均方根误差)上始终优于经典基线,在实验数据上进行验证时,平均绝对误差达到0.338Ω·mm。通过交叉验证和新器件制造进一步评估了噪声鲁棒性和泛化能力。这些发现表明,精心构建的QML模型可以在数据受限的半导体建模中提供预测优势,为在近期量子硬件上的实际部署奠定基础。虽然QML和CML都仍然面临挑战,但这项研究证明了QML作为复杂过程建模任务中一种补充方法的潜力。

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