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

arXiv — cs.LGTuesday, November 25, 2025 at 5:00:00 AM
  • A new study presents a hybrid architecture that combines convolutional neural networks (CNNs) and graph neural networks (GNNs) to enhance the scalability of kinetic Monte-Carlo simulations for grain growth. This innovative approach reduces the computational costs and memory requirements significantly, allowing for larger simulation cells to be modeled effectively.
  • The development is significant as it addresses the limitations of traditional GNNs in scaling up for realistic grain boundary networks, thereby improving the efficiency of microstructure simulations, which are critical in materials science and engineering.
  • This advancement reflects a broader trend in artificial intelligence where hybrid models are increasingly utilized to tackle complex problems across various fields, including agriculture, quantum computing, and electronic design automation, highlighting the versatility and growing importance of GNNs in modern computational tasks.
— via World Pulse Now AI Editorial System

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