arXiv subjects

Zhihui Tian

Publications and source records attributed to Zhihui Tian.

3 recordsLinked to original sources

arXiv2026

A Physics-Regulated Neural Framework for Learning 3D Grain Growth Dynamics

Grain growth is governed by the reduction in grain boundary energy and exhibits well-established statistical scaling laws. Developing data-driven surrogates that preserve these physical invariants while remaining computationally scalable remains challenging, especially in 3D. We present 3D-PRIMME (Physics-Regulated Interpretable Machine Learning for Microstructure Evolution) for learning three-dimensional grain growth dynamics. The model is trained using only two consecutive time steps yet accurately reproduces the linear coarsening law and preserves topological statistics over extended time scales. Despite being trained on a $100^3$ grid points with 512 grains, the learned evolution operator is applied to domains up to $1024^3$ grid points with 550000 grains without retraining, maintaining consistent kinetics and grain topology across orders-of-magnitude increases in system size. These results demonstrate that 3D-PRIMME learns a scale-independent and temporally stable local evolution rule, enabling efficient and robust large-scale surrogate prediction of 3D microstructure evolution.

cs.LG↗

arXiv2026

Scaling Kinetic Monte-Carlo Simulations of Grain Growth with Combined Convolutional and Graph Neural Networks

Graph neural networks (GNN) have emerged as a promising machine learning method for microstructure simulations such as grain growth. However, accurate modeling of realistic grain boundary networks requires large simulation cells, which GNN has difficulty scaling up to. To alleviate the computational costs and memory footprint of GNN, we propose a hybrid architecture combining a convolutional neural network (CNN) based bijective autoencoder to compress the spatial dimensions, and a GNN that evolves the microstructure in the latent space of reduced spatial sizes. Our results demonstrate that the new design significantly reduces computational costs with using fewer message passing layer (from 12 down to 3) compared with GNN alone. The reduction in computational cost becomes more pronounced as the spatial size increases, indicating strong computational scalability. For the largest mesh evaluated (160^3), our method reduces memory usage and runtime in inference by 117x and 115x, respectively, compared with GNN-only baseline. More importantly, it shows higher accuracy and stronger spatiotemporal capability than the GNN-only baseline, especially in long-term testing. Such combination of scalability and accuracy is essential for simulating realistic material microstructures over extended time scales. The improvements can be attributed to the bijective autoencoder's ability to compress information losslessly from spatial domain into a high dimensional feature space, thereby producing more expressive latent features for the GNN to learn from, while also contributing its own spatiotemporal modeling capability. The training was optimized to learn from the stochastic Potts Monte Carlo method. Our findings provide a highly scalable approach for simulating grain growth.

cs.LG↗

arXiv2024

Quantifying Heterogeneous Ecosystem Services With Multi-Label Soft Classification

Understanding and quantifying ecosystem services are crucial for sustainable environmental management, conservation efforts, and policy-making. The advancement of remote sensing technology and machine learning techniques has greatly facilitated this process. Yet, ground truth labels, such as biodiversity, are very difficult and expensive to measure. In addition, more easily obtainable proxy labels, such as land use, often fail to capture the complex heterogeneity of the ecosystem. In this paper, we demonstrate how land use proxy labels can be implemented with a soft, multi-label classifier to predict ecosystem services with complex heterogeneity.

cs.LG↗