为神经网络设计可解释的最坏情况误差边界,确保预测安全可靠。
Worst-Case Distance-Aware Error Bounds for Neural Networks
- 基于样条结构的神经网络,结合距离感知与最坏情况约束。
- 在真实房价回归任务中零覆盖率偏差,误差边界违规率降低8.2%。
- 适合高安全需求场景,如自动驾驶、医疗诊断等可靠性要求高的应用。
机器学习在安全关键领域的应用需要能支持可靠最坏情况分析的不确定性估计。神经网络(NNs)具备强大的函数逼近能力,而高斯过程(GPs)则提供严谨的概率不确定性,但两者在此场景下均有局限:现代主流神经网络缺乏可计算的最坏情况误差边界,而高斯过程在大规模时计算成本高昂。不确定性可解释的核心要求是距离感知性——即测试样本与最近训练数据的距离越大,不确定性越高。本文提出一种通用框架,为融合密集层与样条组件的神经网络构建最坏情况且距离感知的误差边界。所提算法K-DAREK(距离感知柯尔科夫-科尔莫戈罗夫网络误差界)在效率和可解释性上表现优异:比KAN集成快四倍、计算效率高十倍,比GP可扩展8.6倍;将DAREK的误差边界违规率减少8.2%,多智能体安全控制实验中碰撞率从1.8%降至1.1%。在高维真实回归任务(如房地产估值)中,保持距离感知边界,实现零覆盖率偏差,克服了SNGP的过泛化问题与DUE的诱导点覆盖缺陷。
原文摘要 · Abstract (English)
Safety-critical applications of machine learning require uncertainty estimates that support reliable worst-case analysis. Neural networks (NNs) provide expressive function approximation, while Gaussian processes (GPs) offer principled probabilistic uncertainty, but both face limitations in this setting: most modern neural architectures lack tractable worst-case error bounds, and Gaussian processes become computationally expensive at scale. For uncertainty to be interpretable, a central requirement is distance-awareness: that is, uncertainty increases with the distance between a test input and the nearest relevant training data. We present a general framework for worst-case distance-aware error bounds for NNs that combine dense layers with spline-based components. Our approach establishes error bounds that are both distance-aware, reflecting proximity of a test point to its nearest training data, and worst-case, providing deterministic guarantees under known Lipschitz constraints rather than probabilistic assumptions. Our algorithm, K-DAREK (Distance-Aware Error for Kurkova-Kolmogorov Networks), provides efficient and interpretable uncertainty quantification for NNs. K-DAREK is about four times faster and ten times more computationally efficient than an ensemble of KANs, 8.6 times more scalable than GP, eliminates up to 8.2% error-bound violation rate observed in DAREK, and reduces the average collision rate from 1.8% to 1.1% in the multi-agent safe control experiment. On high-dimensional real-world regression tasks (e.g., Real Estate Valuation), K-DAREK preserves distance-aware error bounds and achieves zero coverage violations, addressing the overgeneralization and inducing-point-coverage limitations exhibited by SNGP and DUE, respectively.
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