Flexible Active Learning of PDE Trajectories

ICLR 2025 Conference Submission9048 Authors

Keywords: Active learning, Partial Differential Equation (PDE)

TL;DR: We propose an active learning framework that reduces the data acquisition cost for PDE surrogate modeling by selectively querying time steps along a trajectory from numerical solvers.

Abstract: Accurately solving partial differential equations (PDEs) is critical for 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 (AL) in PDE surrogate modeling that reduces this cost. Unlike the existing AL methods for PDEs that always acquire entire PDE trajectories, our approach strategically generates only the most important time steps with the numerical solver, while employing the surrogate model to approximate the remaining steps. This dramatically 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, including the Heat equation, Korteweg–De Vries equation, Kuramoto–Sivashinsky equation, and the incompressible Navier-Stokes equation. Extensive experiments validate that our approach outperforms existing methods, offering a cost-efficient solution to surrogate modeling for PDEs.

Primary Area: probabilistic methods (Bayesian methods, variational inference, sampling, UQ, etc.)

Code Of Ethics: I acknowledge that I and all co-authors of this work have read and commit to adhering to the ICLR Code of Ethics.

Submission Guidelines: I certify that this submission complies with the submission instructions as described on https://iclr.cc/Conferences/2025/AuthorGuide.

Reciprocal Reviewing: I understand the reciprocal reviewing requirement as described on https://iclr.cc/Conferences/2025/CallForPapers. If none of the authors are registered as a reviewer, it may result in a desk rejection at the discretion of the program chairs. To request an exception, please complete this form at https://forms.gle/Huojr6VjkFxiQsUp6.

Anonymous Url: I certify that there is no URL (e.g., github page) that could be used to find authors’ identity.

No Acknowledgement Section: I certify that there is no acknowledgement section in this submission for double blind review.

Submission Number: 9048