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Network embedding is an effective technique to learn the low-dimensional representations of nodes in networks. Real-world networks are usually with multiplex or having multi-view representations from different relations. Recently, there has…

Convolution is the most time-consuming part in the computation of convolutional neural networks (CNNs), which have achieved great successes in numerous applications. Due to the complex data dependency and the increase in the amount of model…

Predicting the link between two nodes is a fundamental problem for graph data analytics. In attributed graphs, both the structure and attribute information can be utilized for link prediction. Most existing studies focus on transductive…

Prediction of protein-ligand complexes for flexible proteins remains still a challenging problem in computational structural biology and drug design. Here we present two novel deep neural network approaches with significant improvement in…

Despite their simple intuition, convolutions are more tedious to analyze than dense layers, which complicates the transfer of theoretical and algorithmic ideas to convolutions. We simplify convolutions by viewing them as tensor networks…

The task of link prediction aims to solve the problem of incomplete knowledge caused by the difficulty of collecting facts from the real world. GCNs-based models are widely applied to solve link prediction problems due to their…

Relational data are ubiquitous in real-world data applications, e.g., in social network analysis or biological modeling, but networks are nearly always incompletely observed. The state-of-the-art for predicting missing links in the hard…

Deep learning methods have demonstrated outstanding performances on classification and regression tasks on homogeneous data types (e.g., image, audio, and text data). However, tabular data still pose a challenge, with classic machine…

We consider a family of deep neural networks consisting of two groups of convolutional layers, a downsampling operator, and a fully connected layer. The network structure depends on two structural parameters which determine the numbers of…

Inductive link prediction with knowledge hypergraphs is the task of predicting missing hyperedges involving completely novel entities (i.e., nodes unseen during training). Existing methods for inductive link prediction with knowledge…

The application of convolutional neural networks (ConvNets) to harness high-content screening images or 2D compound representations is gaining increasing attention in drug discovery. However, existing applications often require large data…

Social relations are often used to improve recommendation quality when user-item interaction data is sparse in recommender systems. Most existing social recommendation models exploit pairwise relations to mine potential user preferences.…

Reasoning on knowledge graphs is a challenging task because it utilizes observed information to predict the missing one. Particularly, answering complex queries based on first-order logic is one of the crucial tasks to verify learning to…

Representing entities and relations in an embedding space is a well-studied approach for machine learning on relational data. Existing approaches, however, primarily focus on improving accuracy and overlook other aspects such as robustness…

Convolutional networks are powerful visual models that yield hierarchies of features. We show that convolutional networks by themselves, trained end-to-end, pixels-to-pixels, exceed the state-of-the-art in semantic segmentation. Our key…

Representation learning on temporal interaction graphs (TIG) is to model complex networks with the dynamic evolution of interactions arising in a broad spectrum of problems. Existing dynamic embedding methods on TIG discretely update node…

Link prediction on graphs is a fundamental problem. Subgraph representation learning approaches (SGRLs), by transforming link prediction to graph classification on the subgraphs around the links, have achieved state-of-the-art performance…

Representation learning on graphs has been gaining attention due to its wide applicability in predicting missing links, and classifying and recommending nodes. Most embedding methods aim to preserve certain properties of the original graph…

Embedding models have shown great power in knowledge graph completion (KGC) task. By learning structural constraints for each training triple, these methods implicitly memorize intrinsic relation rules to infer missing links. However, this…

Tackling molecular optimization problems using conventional computational methods is challenging, because the determination of the optimized configuration is known to be an NP-hard problem. Recently, there has been increasing interest in…