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Graph-based semi-supervised node classification has been shown to become a state-of-the-art approach in many applications with high research value and significance. Most existing methods are only based on the original intrinsic or…

Brain connectivity alternations associated with brain disorders have been widely reported in resting-state functional imaging (rs-fMRI) and diffusion tensor imaging (DTI). While many dual-modal fusion methods based on graph neural networks…

Incorporating Knowledge Graphs (KG) into recommeder system has attracted considerable attention. Recently, the technical trend of Knowledge-aware Recommendation (KGR) is to develop end-to-end models based on graph neural networks (GNNs).…

Drug combination therapy is a well-established strategy for disease treatment with better effectiveness and less safety degradation. However, identifying novel drug combinations through wet-lab experiments is resource intensive due to the…

Drug combination therapy has become a increasingly promising method in the treatment of cancer. However, the number of possible drug combinations is so huge that it is hard to screen synergistic drug combinations through wet-lab…

Medication recommendation is a vital task for improving patient care and reducing adverse events. However, existing methods often fail to capture the complex and dynamic relationships among patient medical records, drug efficacy and safety,…

Graph Neural Networks (GNNs) are popular deep learning models designed to process graph-structured data through recursive neighborhood aggregations in the message passing process. When applied to semi-supervised node classification, the…

Knowledge Graphs (KG) are the backbone of many data-intensive applications since they can represent data coupled with its meaning and context. Aligning KGs across different domains and providers is necessary to afford a fuller and…

Graph neural networks (GNNs) have emerged as one of the most effective ML techniques for drug effect prediction from drug molecular graphs. Despite having immense potential, GNN models lack performance when using datasets that contain…

We propose a neural multi-document summarization (MDS) system that incorporates sentence relation graphs. We employ a Graph Convolutional Network (GCN) on the relation graphs, with sentence embeddings obtained from Recurrent Neural Networks…

The role of Artificial Intelligence (AI) is growing in every stage of drug development. Nevertheless, a major challenge in drug discovery AI remains: Drug pharmacokinetic (PK) and Drug-Target Interaction (DTI) datasets collected in…

In the task of Knowledge Graph Completion (KGC), the existing datasets and their inherent subtasks carry a wealth of shared knowledge that can be utilized to enhance the representation of knowledge triplets and overall performance. However,…

Biomedical knowledge graphs (KGs) encode rich, structured information critical for drug discovery tasks, but extracting meaningful insights from large-scale KGs remains challenging due to their complex structure. Existing biomedical…

Graphs are naturally used to describe the structures of various real-world systems in biology, society, computer science etc., where subgraphs or motifs as basic blocks play an important role in function expression and information…

Motivation: Exploring drug-protein interactions (DPIs) work as a pivotal step in drug discovery. The fast expansion of available biological data enables computational methods effectively assist in experimental methods. Among them, deep…

Graph neural networks (GNNs) are becoming increasingly popular for EEG-based depression detection. However, previous GNN-based methods fail to sufficiently consider the characteristics of depression, thus limiting their performance.…

Drug-target interaction (DTI) prediction is a core task in drug development and precision medicine in the biomedical field. However, traditional machine learning methods generally have the black box problem, which makes it difficult to…

We explore different strategies to integrate prior domain knowledge into the design of a deep neural network (DNN). We focus on graph neural networks (GNN), with a use case of estimating the potential energy of chemical systems (molecules…

The increased amount of multi-modal medical data has opened the opportunities to simultaneously process various modalities such as imaging and non-imaging data to gain a comprehensive insight into the disease prediction domain. Recent…

To solve the inherent incompleteness of knowledge graphs (KGs), numbers of knowledge graph completion (KGC) models have been proposed to predict missing links from known triples. Among those, several works have achieved more advanced…