In the realm of biomedicine, the prediction of associations between drugs and diseases holds significant importance. Yet, conventional wet lab experiments often fall short of meeting the stringent demands for prediction accuracy and efficiency. Many prior studies have predominantly focused on drug and disease similarities to predict drug-disease associations, but overlooking the crucial interactions between drugs and diseases that are essential for enhancing prediction accuracy. Hence, in this paper, a resilient and effective model named Hierarchical and Dynamic Graph Attention Network (HDGAT) has been proposed to predict drug-disease associations. Firstly, it establishes a heterogeneous graph by leveraging the interplay of drug and disease similarities and associations. Subsequently, it harnesses the capabilities of graph convolutional networks and bidirectional long short-term memory networks (Bi-LSTM) to aggregate node-level information within the heterogeneous graph comprehensively. Furthermore, it incorporates a hierarchical attention mechanism between convolutional layers and a dynamic attention mechanism between nodes to learn embeddings for drugs and diseases. The hierarchical attention mechanism assigns varying weights to embeddings learned from different convolutional layers, and the dynamic attention mechanism efficiently prioritizes inter-node information by allocating each node with varying rankings of attention coefficients for neighbour nodes. Moreover, it employs residual connections to alleviate the over-smoothing issue in graph convolution operations. The latent drug-disease associations are quantified through the fusion of these embeddings ultimately. By conducting 5-fold cross-validation, HDGAT's performance surpasses the performance of existing state-of-the-art models across various evaluation metrics, which substantiates the exceptional efficacy of HDGAT in predicting drug-disease associations.

In graph based multiview clustering methods, the ultimate partition result is usually achieved by spectral embedding of the consistent graph using some traditional clustering methods, such as $k$ -means. However, optimal performance will be reduced by this multistep procedure since it cannot unify graph learning with partition generation closely. In this article, we propose a one-step multiview clustering method through adaptive graph learning and spectral rotation (AGLSR). For every view, AGLSR adaptively learns affinity graphs to capture similar relationships of samples. Then, a spectral embedding is designed to take advantage of the potential feature space shared by different views. In addition, AGLSR utilizes a spectral rotation strategy to obtain the discrete clustering labels from the learned spectral embeddings directly. An effective updating algorithm with proven convergence is derived to optimize the optimization problem. Sufficient experiments on benchmark datasets have clearly demonstrated the effectiveness of the proposed method in six metrics. The code of AGLSR is uploaded at https://github.com/tangchuan2000/AGLSR.

Drug-target interactions play an important role for biomedical drug discovery and development. However, it is expensive and time-consuming to accomplish this task by experimental determination. Therefore, developing computational techniques for drug-target interaction prediction is urgent and has practical significance. In this work, we propose an effective computational model of dual Laplacian graph regularized matrix completion, referred to as DLGRMC briefly, to infer the unknown drug-target interactions. Specifically, DLGRMC transforms the task of drug-target interaction prediction into a matrix completion problem, in which the potential interactions between drugs and targets can be obtained based on the prediction scores after the matrix completion procedure. In DLGRMC, the drug pairwise chemical structure similarities and the target pairwise genomic sequence similarities are fully exploited to serve the matrix completion by using a dual Laplacian graph regularization term; i.e., drugs with similar chemical structure are more likely to have interactions with similar targets and targets with similar genomic sequence similarity are more likely to have interactions with similar drugs. In addition, during the matrix completion process, an indicator matrix with binary values which indicates the indices of the observed drug-target interactions is deployed to preserve the experimental confirmed interactions. Furthermore, we develop an alternative iterative strategy to solve the constrained matrix completion problem based on Augmented Lagrange Multiplier algorithm. We evaluate DLGRMC on five benchmark datasets and the results show that DLGRMC outperforms several state-of-the-art approaches in terms of 10-fold cross validation based AUPR values and PR curves. In addition, case studies also demonstrate that DLGRMC can successfully predict most of the experimental validated drug-target interactions.