Hyperdimensional Semantic Graph Compression for Predictive Material Informatics

**Abstract:** Current material informatics approaches struggle with the complexity of high-dimensional feature spaces derived from multi-modal material data (chemical compositions, crystal structures, processing parameters). This paper proposes a novel framework, Hyperdimensional Semantic Graph Compression (HSGC), which leverages hyperdimensional computing (HDC) and graph neural networks (GNNs) for efficient encoding and compression of material property relationships within a semantic knowledge graph. HSGC dynamically compresses the graph by learning hierarchical relationships between material features and properties, leading to a significantly reduced computational footprint and improved predictive accuracy compared to traditional GNN-based methods. The core innovation lies in the fusion of HDC's robust pattern recognition with GNNs' ability to represent complex relationships in graph data, resulting in a highly scalable and accurate predictive model for material discovery and design.

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Publication Details

Journal
Zenodo (CERN European Organization for Nuclear Research)
Published
2025-08-16
DOI
https://doi.org/10.5281/zenodo.16884835
Primary Topic
Ferroelectric and Negative Capacitance Devices
Type
article
Field-Weighted Citation Impact
0.00
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article

Hyperdimensional Semantic Graph Compression for Predictive Material Informatics

Zenodo (CERN European Organization for Nuclear Research)
Ferroelectric and Negative Capacitance Devices
article

Hyperdimensional Semantic Graph Compression for Predictive Material Informatics

article en

Abstract

**Abstract:** Current material informatics approaches struggle with the complexity of high-dimensional feature spaces derived from multi-modal material data (chemical compositions, crystal structures, processing parameters). This paper proposes a novel framework, Hyperdimensional Semantic Graph Compression (HSGC), which leverages hyperdimensional computing (HDC) and graph neural networks (GNNs) for efficient encoding and compression of material property relationships within a semantic knowledge graph. HSGC dynamically compresses the graph by learning hierarchical relationships between material features and properties, leading to a significantly reduced computational footprint and improved predictive accuracy compared to traditional GNN-based methods. The core innovation lies in the fusion of HDC's robust pattern recognition with GNNs' ability to represent complex relationships in graph data, resulting in a highly scalable and accurate predictive model for material discovery and design.

Zenodo (CERN European Organization for Nuclear Research)
Freed–Hardeman University (US)
Industry, innovation and infrastructure
Openalex Percentile: Top 57%
Ferroelectric and Negative Capacitance Devices
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