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Title: Exploration of Novel Neuromorphic Methodologies for Materials Applications
Many of today’s most interesting questions involve understanding and interpreting complex relationships within graph-based structures. For instance, in materials science, predicting material properties often relies on analyzing the intricate network of atomic interactions. Graph neural networks (GNNs) have emerged as a popular approach for these tasks; however, they suffer from limitations such as inefficient hardware utilization and over-smoothing. Recent advancements in neuromorphic computing offer promising solutions to these challenges. In this work, we evaluate two such neuromorphic strategies known as reservoir computing and hyperdimensional computing. We compare the performance of both approaches for bandgap classification and regression using a subset of the Materials Project dataset. Our results indicate recent advances in hyperdimensional computing can be applied effectively to better represent molecular graphs  more » « less
Award ID(s):
2319619
PAR ID:
10638832
Author(s) / Creator(s):
 ;  ;  ;  ;  ;  
Publisher / Repository:
IEEE
Date Published:
Page Range / eLocation ID:
282 to 286
Format(s):
Medium: X
Sponsoring Org:
National Science Foundation
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