提出新方法为物理信息神经网络提供可靠不确定性估计。
Uncertainty Quantification for Physics-Informed Neural Networks with Extended Fiducial Inference
- 基于扩展似然推断框架,用窄颈超网络学习参数并量化误差。
- 仅凭观测数据即可构建真实置信区间,无需先验信息。
- 提升模型可靠性,适合科研与工程中需可信预测的场景。
科学机器学习中的不确定性量化(UQ)日益重要,因神经网络被广泛用于解决跨学科复杂问题。物理信息神经网络(PINNs)作为该领域主流模型,通常采用贝叶斯或丢弃法进行不确定性估计,但两者均存在根本缺陷:构建真实置信区间的先验分布或丢弃率无法在无额外信息下确定。本文提出一种基于扩展似然推断(EFI)的新方法,为PINNs提供严格不确定性量化。该方法利用窄颈超网络学习PINN参数,并基于观测数据中插补的随机误差量化参数不确定性。此方法克服了贝叶斯与丢弃法的局限性,仅依赖观测数据即可构建真实置信集,显著提升PINNs的可靠性、可解释性与实际应用能力。同时,该研究建立新型理论框架,将EFI拓展至大规模模型,摆脱稀疏超网络限制,大幅提升统计推断的自动性与鲁棒性。
原文摘要 · Abstract (English)
Uncertainty quantification (UQ) in scientific machine learning is increasingly critical as neural networks are widely adopted to tackle complex problems across diverse scientific disciplines. For physics-informed neural networks (PINNs), a prominent model in scientific machine learning, uncertainty is typically quantified using Bayesian or dropout methods. However, both approaches suffer from a fundamental limitation: the prior distribution or dropout rate required to construct honest confidence sets cannot be determined without additional information. In this paper, we propose a novel method within the framework of extended fiducial inference (EFI) to provide rigorous uncertainty quantification for PINNs. The proposed method leverages a narrow-neck hyper-network to learn the parameters of the PINN and quantify their uncertainty based on imputed random errors in the observations. This approach overcomes the limitations of Bayesian and dropout methods, enabling the construction of honest confidence sets based solely on observed data. This advancement represents a significant breakthrough for PINNs, greatly enhancing their reliability, interpretability, and applicability to real-world scientific and engineering challenges. Moreover, it establishes a new theoretical framework for EFI, extending its application to large-scale models, eliminating the need for sparse hyper-networks, and significantly improving the automaticity and robustness of statistical inference.
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