Jiadong Zang

Suman Itani, Yibo Zhang, Jiadong Zang

The discovery of magnetic materials with high operating temperature ranges and optimized performance is essential for advanced applications. Current data-driven approaches are limited by the lack of accurate, comprehensive, and feature-rich databases. This study aims to address this challenge by using Large Language Models (LLMs) to create a comprehensive, experiment-based, magnetic materials database named the Northeast Materials Database (NEMAD), which consists of 67,573 magnetic materials entries(www.nemad.org). The database incorporates chemical composition, magnetic phase transition temperatures, structural details, and magnetic properties. Enabled by NEMAD, we trained machine learning models to classify materials and predict transition temperatures. Our classification model achieved an accuracy of 90% in categorizing materials as ferromagnetic (FM), antiferromagnetic (AFM), and non-magnetic (NM). The regression models predict Curie (Néel) temperature with a coefficient of determination (R2) of 0.87 (0.83) and a mean absolute error (MAE) of 56K (38K). These models identified 25 (13) FM (AFM) candidates with a predicted Curie (Néel) temperature above 500K (100K) from the Materials Project. This work shows the feasibility of combining LLMs for automated data extraction and machine learning models to accelerate the discovery of magnetic materials.

Giorgi Butbaia, Jiadong Zang

Discretized techniques for vector tomographic reconstructions are prone to producing artifacts in the reconstructions. The quality of these reconstructions may further deteriorate as the amount of noise increases. In this work, we instead model the underlying vector fields using smooth neural fields. Owing to the fact that the activation functions in the neural network may be chosen to be smooth and the domain is no longer pixelated, the model results in high-quality reconstructions, even under presence of noise. In the case where we have underlying global continuous symmetry, we find that the neural network substantially improves the accuracy of the reconstruction over the existing techniques.