B-INN让大规模物理系统模拟的不确定性估计更快更可靠。
Bayesian Interpolating Neural Network (B-INN): a scalable and reliable Bayesian model for large-scale physical systems
- 结合高阶插值与张量分解,实现降维不丢精度。
- 推理复杂度线性增长,训练样本越多越高效。
- 适合需要快速准确估测不确定性的工业级仿真场景。
神经网络和机器学习模型在不确定性量化方面相比确定性模型存在可扩展性差、可靠性不足的问题。在工业级主动学习场景中,单次高保真仿真可能需数天至数周计算时间,生成数据量达千兆字节级别,使得现有方法迅速变得不切实际。本文提出一种可扩展且可靠的贝叶斯代理模型——贝叶斯插值神经网络(B-INN)。B-INN融合高阶插值理论、张量分解与交替方向算法,在不牺牲预测精度的前提下实现有效降维。理论上证明B-INN的函数空间是高斯过程的子集,而其贝叶斯推断具有与训练样本数呈线性关系的复杂度,即 $\mathcal{O}(N)$。数值实验表明,相较于贝叶斯神经网络与高斯过程,B-INN在预测速度上可提升20至10,000倍,同时保持稳健的不确定性估计能力。这一特性使其成为大规模工业仿真中以不确定性驱动的主动学习的实用基础,尤其适用于对计算效率与不确定性校准要求极高的场景。
原文摘要 · Abstract (English)
Neural networks and machine learning models for uncertainty quantification suffer from limited scalability and poor reliability compared to their deterministic counterparts. In industry-scale active learning settings, where generating a single high-fidelity simulation may require days or weeks of computation and produce data volumes on the order of gigabytes, they quickly become impractical. This paper proposes a scalable and reliable Bayesian surrogate model, termed the Bayesian Interpolating Neural Network (B-INN). The B-INN combines high-order interpolation theory with tensor decomposition and alternating direction algorithm to enable effective dimensionality reduction without compromising predictive accuracy. We theoretically show that the function space of a B-INN is a subset of that of Gaussian processes, while its Bayesian inference exhibits linear complexity, $\mathcal{O}(N)$, with respect to the number of training samples. Numerical experiments demonstrate that B-INNs can be from 20 times to 10,000 times faster with a robust uncertainty estimation compared to Bayesian neural networks and Gaussian processes. These capabilities make B-INN a practical foundation for uncertainty-driven active learning in large-scale industrial simulations, where computational efficiency and robust uncertainty calibration are paramount.
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