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Predicting Band-Gap of Inorganic Materials Using Neuromorphic Graph Learning

Mulet, Ian [University of Tennessee (UT)]·Lim, Seung-Hwan [ORNL] (ORCID:0000000194616866)·Gautam, Ashish [ORNL]·Date, Prasanna [ORNL] (ORCID:000000021664069X)·Kulkarni, Shruti [ORNL] (ORCID:0000000168949851)·Cong, Guojing [ORNL]·Potok, Thomas [ORNL] (ORCID:0000000166873435)·Zhu, Kevin [George Mason University, Virginia]·Parsa, Maryam [George Mason University, Virginia]·Schuman, Catherine D [University of Tennessee, Knoxville (UTK)]
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Abstract

Predicting properties of inorganic materials is a heavily researched topic, with several new prediction approaches emerging as competitors. One such competitor is graph neural networks, which leverage the structure of the graph to aid in the prediction process. In this work, we propose integration of neuromorphic computation into the graph neural network pipeline. We call this approach Neuromorphic Graph Learning (NGL). We utilize the NGL approach to leverage evolutionary algorithms and a novel Spike Pipeline for Raster Analysis (SPIRE) for the prediction of band gap in inorganic materials.

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Mulet, Ian [University of Tennessee (UT)], Lim, Seung-Hwan [ORNL] (ORCID:0000000194616866), Gautam, Ashish [ORNL], Date, Prasanna [ORNL] (ORCID:000000021664069X), Kulkarni, Shruti [ORNL] (ORCID:0000000168949851), Cong, Guojing [ORNL], Potok, Thomas [ORNL] (ORCID:0000000166873435), Zhu, Kevin [George Mason University, Virginia], Parsa, Maryam [George Mason University, Virginia], Schuman, Catherine D [University of Tennessee, Knoxville (UTK)]. 2026-06-01. Predicting Band-Gap of Inorganic Materials Using Neuromorphic Graph Learning. https://doi.org/10.1109/nice69539.2026.11567459

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