arXiv:2505.21133cs.LGstat.ML2025-05NeurIPS被引 1

新模型同时解决大数据下异常值和近似计算带来的不确定性问题。

Robust and Computation-Aware Gaussian Processes

  • 将鲁棒性与近似不确定性联合建模,提升可靠性。
  • 在含异常值数据上表现更优,且保持高效计算。
  • 适合高维优化与大规模回归任务的可靠建模。

高斯过程(GPs)因其表达能力强和不确定性估计合理,广泛用于回归与贝叶斯优化。但在大数据集含异常值的场景下,标准GP及其稀疏近似面临计算不可行与鲁棒性差的问题。本文提出鲁棒计算感知高斯过程(RCaGP),通过结合近似引入的不确定性与鲁棒广义贝叶斯更新,实现二者协同优化。关键洞察是:鲁棒性与近似感知并非独立,近似会放大异常值影响。不同于以往仅关注其中一者的做法,RCaGP在可扩展框架中统一处理两者,有效缓解异常值与低秩矩阵乘法等近似带来的不确定性。模型提供更保守可靠的置信度估计,并证明均值函数对鲁棒性至关重要,据此设计专用模型选择策略。实验证明,该方法在清洁与含异常值数据上均优于现有方法,涵盖回归与高通量贝叶斯优化任务。

原文摘要 · Abstract (English)

Gaussian processes (GPs) are widely used for regression and optimization tasks such as Bayesian optimization (BO) due to their expressiveness and principled uncertainty estimates. However, in settings with large datasets corrupted by outliers, standard GPs and their sparse approximations struggle with computational tractability and robustness. We introduce Robust Computation-aware Gaussian Process (RCaGP), a novel GP model that jointly addresses these challenges by combining a principled treatment of approximation-induced uncertainty with robust generalized Bayesian updating. The key insight is that robustness and approximation-awareness are not orthogonal but intertwined: approximations can exacerbate the impact of outliers, and mitigating one without the other is insufficient. Unlike previous work that focuses narrowly on either robustness or approximation quality, RCaGP combines both in a principled and scalable framework, thus effectively managing both outliers and computational uncertainties introduced by approximations such as low-rank matrix multiplications. Our model ensures more conservative and reliable uncertainty estimates, a property we rigorously demonstrate. Additionally, we establish a robustness property and show that the mean function is key to preserving it, motivating a tailored model selection scheme for robust mean functions. Empirical results confirm that solving these challenges jointly leads to superior performance across both clean and outlier-contaminated settings, both on regression and high-throughput Bayesian optimization benchmarks.

高斯过程鲁棒性贝叶斯优化近似计算

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