只选关键时间步训练,大幅降低求解偏微分方程的计算成本。
Active Learning with Selective Time-Step Acquisition for PDEs
- 只调用数值求解器计算关键时间点,其余由模型预测。
- 在相同预算下可尝试更多轨迹,提升模型泛化能力。
- 适合资源受限但需高精度的科学建模场景。
准确求解偏微分方程(PDE)对理解复杂科学与工程现象至关重要,但传统数值求解器计算开销大。代理模型提供更高效替代方案,但其训练数据生成成本高。本文提出一种面向PDE代理建模的主动学习新框架——STAP(Selective Time-Step Acquisition for PDEs),通过仅对关键时间步调用数值求解器,其余时间步由代理模型近似,显著降低每条轨迹的计算成本。在此基础上,我们设计了一种新的采集函数,通过估算时间步集合带来的方差减少量来评估其价值。实验在多个基准PDE上验证了该方法的有效性。
原文摘要 · Abstract (English)
Accurately solving partial differential equations (PDEs) is critical to understanding complex scientific and engineering phenomena, yet traditional numerical solvers are computationally expensive. Surrogate models offer a more efficient alternative, but their development is hindered by the cost of generating sufficient training data from numerical solvers. In this paper, we present a novel framework for active learning in PDE surrogate modeling that reduces this cost. Unlike the existing AL methods for PDEs that always acquire entire PDE trajectories, our approach, STAP (**S**elective **T**ime-Step **A**cquisition for **P**DEs), strategically generates only the most important time steps with the numerical solver, while employing the surrogate model to approximate the remaining steps. This reduces the cost incurred by each trajectory and thus allows the active learning algorithm to try out a more diverse set of trajectories given the same budget. To accommodate this novel framework, we develop an acquisition function that estimates the utility of a set of time steps by approximating its resulting variance reduction. We demonstrate the effectiveness of our method on several benchmark PDEs.
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