arXiv:2608.29265stat.COcs.LG2026-08

提出SRFF方法,让非正定核的密度估计更快更准

Signed random Fourier features for fast density estimation with indefinite kernels

论文配图:Signed random Fourier features for fast density estimation with indefinite kernels
图 1 · 摘自论文原文
  • 用带符号的傅里叶特征扩展随机傅里叶方法,支持非正定核
  • 对百万级数据验证,计算复杂度降至O(N),精度保持良好
  • 适合需要快速处理多维紧支撑核的大规模密度估计任务

核密度估计(KDE)是密度函数估计的基本统计方法。直接实现时计算代价为𝑂(𝑁²),对大规模数据不适用。通过核近似可将复杂度降为𝑂(𝑁)。随机傅里叶特征(RFF)基于核函数谱密度采样,被广泛用于加速机器学习中的核估计。但其仅适用于正定核,而多数在KDE中常用的核(如抛物线核)并不满足该性质。本文提出签名随机傅里叶特征(SRFF),是对RFF的推广,适用于其逆傅里叶变换绝对可积的不定核。动机在于加速多维紧支撑核的KDE,这类核通常非正定。文中详细说明了产品核与各向同性核的SRFF实现方法。针对一类Kuttner-Golubov核 𝐾(𝐱𝑖,𝐱𝑗)=(1−‖𝐱𝑖−𝐱𝑗‖^α)^β𝟏_{‖𝐱𝑖−𝐱𝑗‖≤1},其中𝐱𝑖,𝐱𝑗∈ℝ^𝑑,𝛼>0,𝛽>0,涵盖三角、抛物线、biweight、triweight等常见KDE核,给出了显式的接受-拒绝采样算法以从其带符号谱密度中采样。在包含一百万个点的数据集上的数值实验验证了SRFF在大规模KDE中的计算效率与准确性。

原文摘要 · Abstract (English)

Kernel density estimation (KDE) is one of the most fundamental statistical estimators of density functions. Its direct implementation on a dataset of $N$ points incurs an $\mathcal{O}(N^{2})$ computational cost, which is prohibitive for large-scale datasets. Kernel approximation techniques can be applied to bring the computational cost down to $\mathcal{O}(N)$. The random Fourier features (RFF) technique, based on sampling from the spectral density of the kernel function, has become popular to speed up kernel estimators for machine learning applications. Unfortunately, it is restricted to positive definite kernels, while the majority of kernel functions popular in KDE, such as the parabolic kernel, do not satisfy this property. To overcome this limitation, this article introduces the signed random Fourier features (SRFF) technique. It is a generalization of RFF compatible with indefinite kernels whose inverse Fourier transform is absolutely integrable. The motivation for introducing this method is to speed up KDE in the case of multivariate compact kernels, which are generally not positive definite. We detail how to implement SRFF for both product kernels and isotropic kernels. For the class of Kuttner-Golubov kernels $K(\boldsymbol{x}_{i},\boldsymbol{x}_{j})=(1-\left\Vert \boldsymbol{x}_{i}-\boldsymbol{x}_{j}\right\Vert ^α)^β\mathbf{1}_{\{\left\Vert \boldsymbol{x}_{i}-\boldsymbol{x}_{j}\right\Vert \leq1\}}$ where $\boldsymbol{x}_{i}\in\mathbb{R}^{d}$, $\boldsymbol{x}_{j}\in\mathbb{R}^{d}$, $α>0$, $β>0$, which includes the triangular, parabolic, biweight, triweight, and other kernel functions of interest for KDE as particular examples, we provide an explicit acceptance-rejection algorithm to sample from its signed spectral density. Our numerical tests on a dataset of one million points confirm the computational efficiency and accuracy of SRFF for large-scale KDE.

密度估计核方法随机特征高效计算

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