Author

Mustafa Hajij

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#machine learning Preprint Oct 2026

Mathematical Invariant-Enabled Topological Neural Networks for Molecular and Materials Property Prediction

Existing molecular and materials learning approaches often rely on a limited set of structural representations, which may capture only selected aspects of complex three-dimensional structure. Here, we introduce mathematical invariant-enabled topological neural networks (MITNNs), a framework that represents complex stru...

Yi-Ming Ren, Xiang Liu, Mustafa Hajij et al. · 0 citations

#machine learning Preprint Sep 2026

TopoEmbedX: A General Framework for Representation Learning on Topological Domains

Topological structures such as simplicial complexes, hypergraphs, and cell complexes extend standard graph models by modeling higher-order relationships. These structures appear in many modern datasets and require specialized methods for generating meaningful embeddings. In this paper, we introduce TopoEmbedX, a unifie...

Florian Frantzen, Ibrahem AlJabea, I. Henriques-Cadby et al. · 0 citations