Adaptive Uncertainty-Guided Surrogates for Efficient phase field Modeling of Dendritic Solidification

Scientific machine learning (SciML) has emerged as a promising approach for accelerating simulations of complex physical systems, yet achieving physically consistent and generalizable predictions for nonlinear, history-dependent problems remains a central challenge. In this study, we propose a hybrid GNN--FEM framework for efficient and generalizable phase-field fracture modeling. While phase-field approaches provide a robust variational framework for simulating complex crack evolution, their high computational cost limits practical applications because they require solving coupled, nonlinear, and history-dependent systems within an incremental finite element procedure. To address this challenge, a graph neural network surrogate is integrated into the conventional staggered scheme, replacing the phase-field update at each load increment while retaining the FEM-based displacement solver to enforce mechanical equilibrium and boundary conditions. By preserving the incremental solution structure, the framework remains consistent with history-dependent fracture evolution without requiring the surrogate to approximate the full solution trajectory. This selective surrogate strategy emphasizes the identification of a physically meaningful and incrementally structured learning target, rather than relying on brute-force data generation to learn the full fracture process. The proposed framework achieves strong generalization across varying geometries, loading conditions, material properties, and discretizations through dimensionless feature design, a graph-based formulation on mesh-based domains, and a physics-informed loss derived from the governing phase-field equation. Numerical experiments demonstrate that the hybrid approach reduces computational cost while maintaining accuracy compared with conventional FEM, and exhibits robust predictive performance across diverse problem settings.

Accurate thermal modeling is essential in metal additive manufacturing (AM) for understanding the process-structure-property chain. Physics-informed neural networks (PINNs) offer effective surrogate thermal modeling by minimizing physics-based residual losses at collocation points. However, prior works typically rely on manually-crafted, static collocation sampling strategies, which are neither principled nor scalable across process conditions, hindering their generalization capability. In this work, we provide theoretical analysis through empirical risk minimization, showing that process condition-aware adaptive sampling is strictly more favorable than conventional static sampling for generalization. Building on this insight, we propose an adaptive sampling strategy within a two-stage framework: (1) a conditional Flow Matching model that learns approximate high-residual distributions across different process conditions, and (2) a mixed sampling strategy combining this distribution with a domain-informed base distribution to generate adaptive collocation points for refining the PINN predictor. Experiments on metal AM numerical benchmarks demonstrate that our method consistently outperforms state-of-the-art PINN baselines, achieving an average 62.1% reduction in relative $L_2$ error under an identical collocation budget, by capturing process-dependent heat dissipation regions often overlooked in the literature. To the authors' knowledge, this is the first adaptive sampling strategy for PINNs in metal AM, contributing to the enhanced generalization and broader applicability.

This paper develops an adaptive surrogate modeling method for problems with very high-dimensional spatio-temporal outputs. The analysis of spatio-temporal multi-physics systems is computationally expensive and consists of a large number of inputs and outputs. Surrogate models are often constructed to replace the physics-based model to achieve computational efficiency in analyses such as uncertainty quantification and optimization that require many function calls. In order to address the challenge introduced by the high dimensionality of spatio-temporal output, a dimension reduction method is first employed to map the high-dimensional output to a low-dimensional latent space. This is followed by the construction of the surrogate model in the low-dimensional space. The prediction error in the original space, which includes both the reconstruction error and surrogate model error, is evaluated using different error metrics. Based on the prediction accuracy of the surrogate model, new training points are identified for adaptive improvement of the surrogate model. We present a novel adaptive sampling technique that combines exploration and exploitation to improve the surrogate model accuracy with the fewest possible runs of the expensive physics-based model. Thermo-mechanical analysis of a gas turbine engine blade is used to analyze the effectiveness of the proposed method.