graph neural networks
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AI-Based Discovery of High-Performance Energy Storage Polymer Composites: A Comprehensive Review
Abstract: The accelerating global demand for high-performance energy storage systems has stimulated significant research into advanced polymer composites as next-generation electrolytes, electrode binders, and functional membranes for batteries, supercapacitors, and photovoltaic devices. However, the vast compositional and structural design space of polymer materials presents formidable challenges for conventional trial-and-error discovery strategies, which remain slow, costly, and biased by prior expert knowledge. Machine learning (ML) and artificial intelligence (AI) have emerged as …
Published in Journal of Polymer & Composites · Vol. 14, Issue 3, 2026 · pp. 1083–1097 Read article
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Enhance Thermal and Conductive Properties through Graph Neural Network-Based Machine Learning-Driven Advanced Polymer Material Design
Abstract: Advanced polymer materials are widely used in modern engineering and manufacturing because of their lightweight nature, flexibility, durability, and adaptability to different applications. However, designing polymer materials with enhanced thermal and electrical properties remains a challenging task. The performance of polymers is influenced by a complex combination of molecular structures, filler materials, processing parameters, and nanoscale interactions. Conventional optimization methods often require extensive experimental trials and computational resources, making it …
Published in Journal of Polymer & Composites · Vol. 14, Issue 3, 2026 Read article
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Intrinsic Evaluation of Graph Embeddings: Assessing Clustering and Community Detection Performance
Abstract: This paper presents an intrinsic evaluation of some graph embedding techniques on clustering and community detection tasks. We analyze a diverse set of embedding methods, ranging from traditional techniques such as Laplacian eigenmaps to more recent approaches like graph autoencoders, high-order proximity preserved embedding (HOPE), and graph attention network (GAT), using two widely studied datasets, Cora and CiteSeer. Our evaluation relies on two main metrics: Silhouette score with respect to …
Published in International Journal of Algorithms Design and Analysis Review · Vol. 3, Issue 1, 2025 · pp. 40–48 Read article