arXiv:2606.28833cs.LG2026-06被引 1

通过智能分配量子采样次数,提升量子核方法在回归任务中的精度和效率。

Active Quantum Kernel Acquisition for Gaussian Process Regression

论文配图:Active Quantum Kernel Acquisition for Gaussian Process Regression
图 1 · 摘自论文原文
  • 根据核矩阵误差对下游任务的影响程度,动态分配量子电路的采样次数。
  • 在多个基准数据集上实现10%–21%的测试均方根误差降低。
  • 适用于量子核回归、超参数学习等场景,尤其适合低预算下的真实量子设备。

在近中期量子硬件上进行量子核估计时,每个核矩阵元素均为伯努利期望,需通过有限次电路执行采样。近期研究显示,按下游任务敏感性非均匀分配采样次数可减少达到目标精度所需的总采样量。本文将该思想扩展至高斯过程回归(GP),其后验方差、行列式对数、边缘似然等下游量与核误差耦合更紧密,远超分类任务仅依赖符号输出的情况。我们推导出三种闭式配对级敏感度:预测耦合|α_iα_j|、留一残差和边缘似然梯度,并将其融入奈曼风格的最小方差分配规则。为防止初始敏感度估计噪声导致采样过度集中,引入由弗罗贝尼乌斯下界支撑的均匀覆盖底限。在四个UCI基准及两个合成RBF+伯努利控制实验中,所提分配器在中等预算范围内相比均匀分配提升10%–21%的测试均方根误差。该增益在真实量子自然数据的ZZ和保罗伊-Z核上同样显现(低预算下-13%至-15%,p<0.05配对检验),并可迁移至四种下游任务:贝叶斯求积、异方差回归、超参数学习与多输出协克里金。而在将UCI特征嵌入到ZZ核时增益消失,符合指数集中区域,此时采样分配无优化空间。

原文摘要 · Abstract (English)

Quantum kernel estimation on near-term hardware is shot-budgeted: every entry of the kernel Gram matrix is a Bernoulli expectation that must be sampled with a finite number of circuit executions. Recent work on quantum kernel classification has shown that allocating shots non-uniformly across kernel entries, weighted by their downstream task sensitivity, can reduce the shot budget required to reach a target accuracy. We extend this idea to Gaussian process (GP) regression, a setting whose downstream quantities (full-spectrum posterior variance, log-determinant, marginal likelihood) couple to kernel error more tightly than the sign-only outputs of classification. We derive three closed-form pair-level sensitivities predictive coupling $|α_iα_j|$, leave-one-out residual, and marginal-likelihood gradient and plug them into a Neyman-style minimum-variance allocation rule. To prevent catastrophic over-concentration when the warm-up sensitivity estimate is itself noisy, we add a high uniform coverage floor justified by a Frobenius lower bound on the missing-entry perturbation. On four UCI benchmarks and two synthetic RBF + Bernoulli controlled studies, the resulting allocator delivers $10$--$21\%$ test-RMSE improvement over uniform allocation across the moderate-budget regime. The gain transfers (i) to genuine ZZ and Pauli-Z quantum kernels on quantum-natural data ($-13$--$15\%$ at low budget, $p<0.05$ paired) and (ii) to four downstream tasks (Bayesian quadrature, heteroscedastic regression, hyperparameter learning, multi-output Cokriging). On UCI features embedded into a ZZ kernel the gain disappears, consistent with the exponential-concentration regime where shot allocation has nothing to exploit.

量子机器学习高斯过程采样优化核方法

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