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Efficient and Scalable Physics-Guided Fully Convolutional Spatiotemporal Learning for 3D Microstructure Evolution Prediction

arXiv 2609.36504 ↗First posted 29 Sep 2026cs.LGcited by 0

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Abstract (arXiv)

Accurate prediction of three-dimensional (3D) microstructure evolution remains computationally demanding because high-fidelity phase-field simulations require repeated numerical integration over large volumetric domains and long temporal horizons. This study develops an efficient and scalable physics-guided fully convolutional spatiotemporal framework for direct multi-frame prediction of complete 3D microstructure sequences. The model combines shared 3D spatial encoding and decoding with a factorized latent translator that integrates temporal, local 3D spatial, and channel interactions. A discrete Cahn--Hilliard (CH) residual is incorporated during training to regularize the learned evolution toward the governing dynamics without altering the inference pathway. The framework is evaluated on high-resolution 3D spinodal-decomposition trajectories under nominal, long-horizon, and reduced-temporal-context forecasting. Under full temporal context, the model accurately reproduces volumetric evolution, with average 3D structural similarity remaining above 0.97 over the nominal prediction horizon. Physics guidance becomes increasingly beneficial as temporal information is reduced, improving predictive robustness and preservation of interface-level morphology. The framework also achieves more than a 30-fold wall-clock speedup relative to the reference spectral phase-field solver, while physics guidance introduces no additional inference cost. These results establish direct multi-frame, physics-guided fully convolutional learning as a high-throughput surrogate strategy for dense 3D phase-field dynamics and repeated microstructure forecasting.

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References · 12

  1. 2020Fourier Neural Operator for Parametric Partial Differential Equationscited by 2,908
  2. 2021MLP-Mixer: An all-MLP Architecture for Visioncited by 1,446
  3. 2022SimVP: Simpler yet Better Video Predictioncited by 184
  4. 2018PredRNN++: Towards A Resolution of the Deep-in-Time Dilemma in Spatiotemporal Predictive Learningcited by 122
  5. 2022Learning two-phase microstructure evolution using neural operators and autoencoder architecturescited by 72
  6. 2022SimVPv2: Towards Simple yet Powerful Spatiotemporal Predictive Learningcited by 22
  7. 2019Machine learning materials physics: Multi-resolution neural networks learn the free energy and nonlinear elastic response of evolving microstructurescited by 17
  8. 2024GrainGNN: A dynamic graph neural network for predicting 3D grain microstructurecited by 8
  9. 2024Extreme time extrapolation capabilities and thermodynamic consistency of physics-inspired Neural Networks for the 3D microstructure evolution of materials via Cahn-Hilliard flowcited by 4
  10. 2026Fully Convolutional Spatiotemporal Learning for Microstructure Evolution Predictioncited by 2
  11. 2025Physics-Informed GCN-LSTM Framework for Long-Term Forecasting of 2D and 3D Microstructure Evolutioncited by 1
  12. 2026Physics-Guided Fully Convolutional Spatiotemporal Learning Toward Digital-Twin-Enabled Microstructure Evolution Predictioncited by 1

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