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Enhanced accuracy through ensembling of randomly initialized auto-regressive models for time-dependent PDEs

Published: July 5, 2025 | arXiv ID: 2507.03863v1

By: Ishan Khurjekar , Indrashish Saha , Lori Graham-Brady and more

BigTech Affiliations: Johns Hopkins University

Potential Business Impact:

Makes computer predictions of changing things more accurate.

Business Areas:
Predictive Analytics Artificial Intelligence, Data and Analytics, Software

Systems governed by partial differential equations (PDEs) require computationally intensive numerical solvers to predict spatiotemporal field evolution. While machine learning (ML) surrogates offer faster solutions, autoregressive inference with ML models suffer from error accumulation over successive predictions, limiting their long-term accuracy. We propose a deep ensemble framework to address this challenge, where multiple ML surrogate models with random weight initializations are trained in parallel and aggregated during inference. This approach leverages the diversity of model predictions to mitigate error propagation while retaining the autoregressive strategies ability to capture the system's time dependent relations. We validate the framework on three PDE-driven dynamical systems - stress evolution in heterogeneous microstructures, Gray-Scott reaction-diffusion, and planetary-scale shallow water system - demonstrating consistent reduction in error accumulation over time compared to individual models. Critically, the method requires only a few time steps as input, enabling full trajectory predictions with inference times significantly faster than numerical solvers. Our results highlight the robustness of ensemble methods in diverse physical systems and their potential as efficient and accurate alternatives to traditional solvers. The codes for this work are available on GitHub (https://github.com/Graham-Brady-Research-Group/AutoregressiveEnsemble_SpatioTemporal_Evolution).

Country of Origin
🇺🇸 United States

Page Count
31 pages

Category
Computer Science:
Machine Learning (CS)