Related papers: SR-CGCNN: Shared Recurrent Convolution in Crystal …

Graph convolutional neural networks (GCNNs) have received much attention recently, owing to their capability in handling graph-structured data. Among the existing GCNNs, many methods can be viewed as instances of a neural message passing…

Quantitative structure-activity relationship (QSAR) modelling is widely employed in materials science to predict properties of interest and extract useful descriptors for measured properties. In thermal barrier coatings (TBC), QSAR can…

Graph Convolutional Networks (GCNs) are widely used to improve recommendation accuracy and performance by effectively learning the representations of user and item nodes. However, two major challenges remain: (1) the lack of further…

Graph convolutional networks (GCNs) have been widely used and achieved remarkable results in skeleton-based action recognition. In GCNs, graph topology dominates feature aggregation and therefore is the key to extracting representative…

Predicting properties of crystals from their structures is a fundamental yet challenging task in materials science. Unlike molecules, crystal structures exhibit infinite periodic arrangements of atoms, requiring methods capable of capturing…

We focus on graph-to-sequence learning, which can be framed as transducing graph structures to sequences for text generation. To capture structural information associated with graphs, we investigate the problem of encoding graphs using…

Graph neural networks (GNNs) model nonlinear representations in graph data with applications in distributed agent coordination, control, and planning among others. Current GNN architectures assume ideal scenarios and ignore link…

Graph convolutional networks (GCNs) are becoming increasingly popular as they overcome the limited applicability of prior neural networks. A GCN takes as input an arbitrarily structured graph and executes a series of layers which exploit…

Important advances have been made using convolutional neural network (CNN) approaches to solve complicated problems in areas that rely on grid structured data such as image processing and object classification. Recently, research on graph…

Convolution Neural Network (CNN) has gained tremendous success in computer vision tasks with its outstanding ability to capture the local latent features. Recently, there has been an increasing interest in extending convolution operations…

Recent years have witnessed the rapid development of heterogeneous graph neural networks (HGNNs) in information retrieval (IR) applications. Many existing HGNNs design a variety of tailor-made graph convolutions to capture structural and…

Applications of machine learning techniques in materials science are often based on two key ingredients, a set of empirical descriptors and a database of a particular material property of interest. The advent of graph neural networks, such…

Convolutional Neural Networks (CNNs) are known to be significantly over-parametrized, and difficult to interpret, train and adapt. In this paper, we introduce a structural regularization across convolutional kernels in a CNN. In our…

Convolutional neural networks (CNNs) have massively impacted visual recognition in 2D images, and are now ubiquitous in state-of-the-art approaches. CNNs do not easily extend, however, to data that are not represented by regular grids, such…

Shared-account Cross-domain Sequential Recommendation (SCSR) task aims to recommend the next item via leveraging the mixed user behaviors in multiple domains. It is gaining immense research attention as more and more users tend to sign up…

Graph neural networks (GNN) has been demonstrated to be effective in classifying graph structures. To further improve the graph representation learning ability, hierarchical GNN has been explored. It leverages the differentiable pooling to…

The decoupled Graph Convolutional Network (GCN), a recent development of GCN that decouples the neighborhood aggregation and feature transformation in each convolutional layer, has shown promising performance for graph representation…

Spatio-temporal forecasting is challenging attributing to the high nonlinearity in temporal dynamics as well as complex location-characterized patterns in spatial domains, especially in fields like weather forecasting. Graph convolutions…

Graph Neural Networks (GNNs) excel at modeling relational data but face significant challenges in high-stakes domains due to unquantified uncertainty. Conformal prediction (CP) offers statistical coverage guarantees, but existing methods…

Document-level relation extraction with graph neural networks faces a fundamental graph construction gap between training and inference - the golden graph structure only available during training, which causes that most methods adopt…