arXiv:2511.16340cs.LGstat.ML2025-11

用小规模解预热大问题,让高斯过程推理快19倍

Warm-Starting Iterative Gaussian Processes for Faster Sequential Inference

  • 用先前小规模线性系统的解作为新迭代的初始值
  • 在固定计算量下,后验估计更准;达到精度时提速最高19倍
  • 适合频繁更新数据的贝叶斯优化、在线预测等场景

高效高斯过程推断对主动学习、在线预测和贝叶斯优化等序列决策任务至关重要。使用共轭梯度、随机梯度下降或交替投影等迭代方法近似后验分布可避免立方级计算开销,但通常需要大量迭代才能收敛,限制了在频繁更新数据场景下的应用。为此,我们提出三种预热策略,利用较小线性系统解来显著加速新数据加入后的收敛速度。理论分析表明,该方法在再生核希尔伯特空间(RKHS)距离上减少了初始化误差;在回归基准和贝叶斯优化任务上的实验结果验证了其有效性。各类求解器均实现最高达19倍的加速,且在固定计算预算下获得更精确的后验估计,直接提升优化性能。这些结果确立了预热法作为一种简单、有效且广泛适用的高斯过程序列推断扩展工具。

原文摘要 · Abstract (English)

Efficient Gaussian process (GP) inference is critical for sequential decision-making tasks such as active learning, online prediction, and Bayesian optimization. Iterative approaches of approximating the GP posterior using solvers like conjugate gradients, stochastic gradient descent, or alternating projections avoid cubic costs, but often require many iterations to converge, limiting their efficacy when the posterior is updated frequently with new data. To address this, we introduce three warm-start strategies that exploit solutions of smaller linear systems to substantially speed-up convergence when updating the posterior with new data. Our methods are supported by theoretical analysis showing reduced initialization error in reproducing kernel Hilbert space (RKHS) distance, and by empirical results on regression benchmarks and Bayesian optimization tasks. Across solvers, warm-starting achieves speed-ups of up to 19x when solving to tolerance, and produces more accurate posterior estimates under fixed compute budgets, directly improving optimization performance. These results establish warm-starting as a simple, effective, and broadly applicable tool for scaling Gaussian processes in sequential settings.

高斯过程加速推断贝叶斯优化预热策略

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