arXiv:2601.08724quant-phcs.LG2026-01

用量子退火生成频谱,构建自适应核函数提升回归精度。

Kernel Learning for Regression via Quantum Annealing Based Spectral Sampling

  • 用量子退火采样频谱分布,通过RBM与高斯-伯努利变换生成连续频率。
  • 采用平方核权重避免分母接近零,提升回归稳定性与性能。
  • 在多个基准数据集上优于基线高斯核,且特征数越多效果越好。

尽管量子退火(QA)用于组合优化,但实际设备在有限温度和噪声下运行,其输出可视为接近吉布斯-玻尔兹曼分布的随机样本。本文提出一种基于量子退火的内循环核学习框架,将QA不仅作为马尔可夫链蒙特卡洛的替代,更直接决定回归所用核函数。依据博赫纳定理,平移不变核表示为频谱分布的期望,随机傅里叶特征(RFF)通过采样频率近似核函数。我们用多层受限玻尔兹曼机(RBM)建模频谱分布,利用量子退火生成离散RBM样本,并通过高斯-伯努利变换映射为连续频率。基于所得RFF构建数据自适应核,进行Nadaraya-Watson(NW)回归。由于基于$\cos(\bmω^\topΔ\bm{x})$的RFF可能产生小负值并导致邻居间抵消,使NW分母$\sum_j k_{ij}$趋近零,因此我们采用非负平方核权重$w_{ij}=k(\bm{x}_i,\bm{x}_j)^2$,同时增强核权重对比度。核参数通过最小化留一法NW均方误差训练,推理时还评估使用相同平方核权重的局部线性回归。多个基准回归数据集实验表明,训练损失下降,核矩阵结构发生变化,所学核函数在$R^2$和RMSE上优于基线高斯核NW;推理时增加随机特征数进一步提升准确率。

原文摘要 · Abstract (English)

While quantum annealing (QA) has been developed for combinatorial optimization, practical QA devices operate at finite temperature and under noise, and their outputs can be regarded as stochastic samples close to a Gibbs--Boltzmann distribution. In this study, we propose a QA-in-the-loop kernel learning framework that integrates QA not merely as a substitute for Markov-chain Monte Carlo sampling but as a component that directly determines the learned kernel for regression. Based on Bochner's theorem, a shift-invariant kernel is represented as an expectation over a spectral distribution, and random Fourier features (RFF) approximate the kernel by sampling frequencies. We model the spectral distribution with a (multi-layer) restricted Boltzmann machine (RBM), generate discrete RBM samples using QA, and map them to continuous frequencies via a Gaussian--Bernoulli transformation. Using the resulting RFF, we construct a data-adaptive kernel and perform Nadaraya--Watson (NW) regression. Because the RFF approximation based on $\cos(\bmω^{\top}Δ\bm{x})$ can yield small negative values and cancellation across neighbors, the Nadaraya--Watson denominator $\sum_j k_{ij}$ may become close to zero. We therefore employ nonnegative squared-kernel weights $w_{ij}=k(\bm{x}_i,\bm{x}_j)^2$, which also enhances the contrast of kernel weights. The kernel parameters are trained by minimizing the leave-one-out NW mean squared error, and we additionally evaluate local linear regression with the same squared-kernel weights at inference. Experiments on multiple benchmark regression datasets demonstrate a decrease in training loss, accompanied by structural changes in the kernel matrix, and show that the learned kernel tends to improve $R^2$ and RMSE over the baseline Gaussian-kernel NW. Increasing the number of random features at inference further enhances accuracy.

量子计算核方法回归采样

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