将微分方程求解器转化为可生成解并量化不确定性的概率模型
Probabilistic operator learning: generative modeling and uncertainty quantification for foundation models of differential equations
- 基于贝叶斯推断框架,将ICON视为对解算子的后验均值估计
- 提出生成式变体GenICON,可从解算子后验中采样,捕捉不确定性
- 适用于需要可信预测的科学计算场景,如气候模拟、工程仿真
上下文操作网络(ICON)是一类基于基础模型架构的操作学习方法。在包含初值与边值条件及其对应解的多样化微分方程(常微分方程和偏微分方程)数据集上训练后,ICON 能将给定微分方程的示例条件-解对映射为解算子的近似。本文提出一个概率框架,揭示 ICON 实际上隐式执行贝叶斯推断:它计算在给定上下文(即示例条件-解对)条件下,解算子后验预测分布的均值。随机微分方程的形式化框架不仅描述了 ICON 完成的任务,也为理解其他多算子学习方法提供了基础。该概率视角使 ICON 可扩展至生成式设置,可从解算子后验预测分布中采样。生成式变形(GenICON)捕捉了解算子的内在不确定性,从而在操作学习中实现可解释的不确定性量化。
原文摘要 · Abstract (English)
In-context operator networks (ICON) are a class of operator learning methods based on the novel architectures of foundation models. Trained on a diverse set of datasets of initial and boundary conditions paired with corresponding solutions to ordinary and partial differential equations (ODEs and PDEs), ICON learns to map example condition-solution pairs of a given differential equation to an approximation of its solution operator. Here, we present a probabilistic framework that reveals ICON as implicitly performing Bayesian inference, where it computes the mean of the posterior predictive distribution over solution operators conditioned on the provided context, i.e., example condition-solution pairs. The formalism of random differential equations provides the probabilistic framework for describing the tasks ICON accomplishes while also providing a basis for understanding other multi-operator learning methods. This probabilistic perspective provides a basis for extending ICON to \emph{generative} settings, where one can sample from the posterior predictive distribution of solution operators. The generative formulation of ICON (GenICON) captures the underlying uncertainty in the solution operator, which enables principled uncertainty quantification in the solution predictions in operator learning.
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