Two-dimensional Taxonomy for N-ary Knowledge Representation Learning Methods

Real-world knowledge can take various forms, including structured, semi-structured, and unstructured data. Among these, knowledge graphs are a form of structured human knowledge that integrate heterogeneous data sources into structured representations but typically reduce complex n-ary relations to simple triples, thereby losing higher-order relational details. In contrast, hypergraphs naturally represent n-ary relations with hyperedges, which directly connect multiple entities together. Yet hypergraph representation learning often overlooks entity roles in hyperedges, limiting the fine-grained semantic modelling. To address these issues, knowledge hypergraphs and hyper-relational knowledge graphs combine the advantages of knowledge graphs and hypergraphs to better capture the complex structures and role-specific semantics of real-world knowledge. This survey provides a comprehensive review of methods handling n-ary relational data, covering both knowledge hypergraphs and hyper-relational knowledge graphs literatures. We propose a two-dimensional taxonomy: the first dimension categorises models based on their methodology, i.e., translation-based models, tensor factorisation-based models, deep neural network-based models, logic rules-based models, and hyperedge expansion-based models. The second dimension classifies models according to their awareness of entity roles and positions in n-ary relations, dividing them into aware-less, position-aware, and role-aware approaches. Finally, we discuss existing datasets, negative sampling strategies, and outline open challenges to inspire future research.

A Methodological Report on Anomaly Detection on Dynamic Knowledge Graphs

In this paper, we explore different approaches to anomaly detection on dynamic knowledge graphs, specifically in a microservices environment for Kubernetes applications. Our approach explores three dynamic knowledge graph representations: sequential data, one-hop graph structure, and two-hop graph structure, with each representation incorporating increasingly complex structural information. Each phase includes different machine learning and deep learning models. We empirically analyse their performance and propose an approach based on ensemble learning of these models. Our approach significantly outperforms the baseline on the ISWC 2024 Dynamic Knowledge Graph Anomaly Detection dataset, providing a robust solution for anomaly detection in dynamic complex data.

Integrating Chemical Language and Molecular Graph in Multimodal Fused Deep Learning for Drug Property Prediction

Accurately predicting molecular properties is a challenging but essential task in drug discovery. Recently, many mono-modal deep learning methods have been successfully applied to molecular property prediction. However, the inherent limitation of mono-modal learning arises from relying solely on one modality of molecular representation, which restricts a comprehensive understanding of drug molecules and hampers their resilience against data noise. To overcome the limitations, we construct multimodal deep learning models to cover different molecular representations. We convert drug molecules into three molecular representations, SMILES-encoded vectors, ECFP fingerprints, and molecular graphs. To process the modal information, Transformer-Encoder, bi-directional gated recurrent units (BiGRU), and graph convolutional network (GCN) are utilized for feature learning respectively, which can enhance the model capability to acquire complementary and naturally occurring bioinformatics information. We evaluated our triple-modal model on six molecule datasets. Different from bi-modal learning models, we adopt five fusion methods to capture the specific features and leverage the contribution of each modal information better. Compared with mono-modal models, our multimodal fused deep learning (MMFDL) models outperform single models in accuracy, reliability, and resistance capability against noise. Moreover, we demonstrate its generalization ability in the prediction of binding constants for protein-ligand complex molecules in the refined set of PDBbind. The advantage of the multimodal model lies in its ability to process diverse sources of data using proper models and suitable fusion methods, which would enhance the noise resistance of the model while obtaining data diversity.