Related papers: A Heterogeneous Network-based Contrastive Learning…

Drug-Target Interaction (DTI) prediction is vital for drug discovery, yet challenges persist in achieving model interpretability and optimizing performance. We propose a novel transformer-based model, FragXsiteDTI, that aims to address…

In-silico prediction of repurposable drugs is an effective drug discovery strategy that supplements de-nevo drug discovery from scratch. Reduced development time, less cost and absence of severe side effects are significant advantages of…

Heterogeneous graph neural networks(HGNNs) have recently shown impressive capability in modeling heterogeneous graphs that are ubiquitous in real-world applications. Most existing methods for heterogeneous graphs mainly learn node…

Recent advancements in Graph Contrastive Learning (GCL) have demonstrated remarkable effectiveness in improving graph representations. However, relying on predefined augmentations (e.g., node dropping, edge perturbation, attribute masking)…

Predicting the effect of amino acid mutations on enzyme thermodynamic stability (DDG) is fundamental to protein engineering and drug design. While recent deep learning approaches have shown promise, they often process sequence and structure…

Heterophilic Graph Neural Networks (HGNNs) have shown promising results for semi-supervised learning tasks on graphs. Notably, most real-world heterophilic graphs are composed of a mixture of nodes with different neighbor patterns,…

Graph neural network, as a powerful graph representation technique based on deep learning, has shown superior performance and attracted considerable research interest. However, it has not been fully considered in graph neural network for…

Representation learning on heterogeneous graphs aims to obtain meaningful node representations to facilitate various downstream tasks, such as node classification and link prediction. Existing heterogeneous graph learning methods are…

Graph Neural Networks (GNNs) have achieved significant success in various learning tasks on graph-structured data. Nevertheless, most GNNs struggle to generalize to heterophilic neighborhoods. Additionally, many GNNs ignore the directional…

Graph contrastive learning (GCL) aims to learn representations from unlabeled graph data in a self-supervised manner and has developed rapidly in recent years. However, edgelevel contrasts are not well explored by most existing GCL methods.…

Accurate citation count prediction of newly published papers could help editors and readers rapidly figure out the influential papers in the future. Though many approaches are proposed to predict a paper's future citation, most ignore the…

Accurate prediction of drug-target interactions (DTI) is pivotal in drug discovery. However, existing approaches often fail to capture deep intra-modal feature interactions or achieve effective cross-modal alignment, limiting predictive…

Heterogeneous Graph Neural Networks (HGNNs), have demonstrated excellent capabilities in processing heterogeneous information networks. Self-supervised learning on heterogeneous graphs, especially contrastive self-supervised strategy, shows…

Contrastive Learning (CL) has recently emerged as a powerful technique in recommendation systems, particularly for its capability to harness self-supervised signals from perturbed views to mitigate the persistent challenge of data sparsity.…

Graph anomaly detection is a popular and vital task in various real-world scenarios, which has been studied for several decades. Recently, many studies extending deep learning-based methods have shown preferable performance on graph anomaly…

Relation-aware graph structure embedding is promising for predicting multi-relational drug-drug interactions (DDIs). Typically, most existing methods begin by constructing a multi-relational DDI graph and then learning relation-aware graph…

Self-supervised learning (especially contrastive learning) methods on heterogeneous graphs can effectively get rid of the dependence on supervisory data. Meanwhile, most existing representation learning methods embed the heterogeneous…

Motivation: Drug repurposing is a viable solution for reducing the time and cost associated with drug development. However, thus far, the proposed drug repurposing approaches still need to meet expectations. Therefore, it is crucial to…

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…

Benefiting from the effectiveness of graph neural networks (GNNs) and contrastive learning, GNN-based contrastive learning has become mainstream for knowledge-aware recommendation. However, most existing contrastive learning-based methods…