Graph convolution networks (GCNs) have become effective models for graph classification. Similar to many deep networks, GCNs are vulnerable to adversarial attacks on graph topology and node attributes. Recently, a number of effective attack and defense algorithms have been designed, but no certificate of robustness has been developed for GCN-based graph classification under topological perturbations with both local and global budgets. In this paper, we propose the first certificate for this problem. Our method is based on Lagrange dualization and convex envelope, which result in tight approximation bounds that are efficiently computable by dynamic programming. When used in conjunction with robust training, it allows an increased number of graphs to be certified as robust.

Inspired by their powerful representation ability on graph-structured data, Graph Convolution Networks (GCNs) have been widely applied to recommender systems, and have shown superior performance. Despite their empirical success, there is a lack of theoretical explorations such as generalization properties. In this paper, we take a first step towards establishing a generalization guarantee for GCN-based recommendation models under inductive and transductive learning. We mainly investigate the roles of graph normalization and non-linear activation, providing some theoretical understanding, and construct extensive experiments to further verify these findings empirically. Furthermore, based on the proven generalization bound and the challenge of existing models in discrete data learning, we propose Item Mixture (IMix) to enhance recommendation. It models discrete spaces in a continuous manner by mixing the embeddings of positive-negative item pairs, and its effectiveness can be strictly guaranteed from empirical and theoretical aspects.

Item Mixture (IMix) to enhance recommendation.

Graph convolution networks (GCNs) have become effective models for graph classification. Similar to many deep networks, GCNs are vulnerable to adversarial attacks on graph topology and node attributes. Recently, a number of effective attack and defense algorithms have been designed, but no certificate of robustness has been developed for GCN-based graph classification under topological perturbations with both local and global budgets. In this paper, we propose the first certificate for this problem. Our method is based on Lagrange dualization and convex envelope, which result in tight approximation bounds that are efficiently computable by dynamic programming.

Inspired by their powerful representation ability on graph-structured data, Graph Convolution Networks (GCNs) have been widely applied to recommender systems, and have shown superior performance. Despite their empirical success, there is a lack of theoretical explorations such as generalization properties. In this paper, we take a first step towards establishing a generalization guarantee for GCN-based recommendation models under inductive and transductive learning. We mainly investigate the roles of graph normalization and non-linear activation, providing some theoretical understanding, and construct extensive experiments to further verify these findings empirically. Furthermore, based on the proven generalization bound and the challenge of existing models in discrete data learning, we propose Item Mixture (IMix) to enhance recommendation.

Recent studies focus on embedding learning over knowledge graphs, which map entities and relations in knowledge graphs into low-dimensional vector spaces. While existing models mainly consider the aspect of graph structure, there exists a wealth of contextual and literal information that can be utilized for more effective embedding learning. This paper introduces a novel model that incorporates both contextual and literal information into entity and relation embeddings by utilizing graph convolutional networks. Specifically, for contextual information, we assess its significance through confidence and relatedness metrics. In addition, a unique rule-based method is developed to calculate the confidence metric, and the relatedness metric is derived from the literal information's representations. We validate our model performance with thorough experiments on two established benchmark datasets.

The entity alignment of science and technology patents aims to link the equivalent entities in the knowledge graph of different science and technology patent data sources. Most entity alignment methods only use graph neural network to obtain the embedding of graph structure or use attribute text description to obtain semantic representation, ignoring the process of multi-information fusion in science and technology patents. In order to make use of the graphic structure and auxiliary information such as the name, description and attribute of the patent entity, this paper proposes an entity alignment method based on the graph convolution network for science and technology patent information fusion. Through the graph convolution network and BERT model, the structure information and entity attribute information of the science and technology patent knowledge graph are embedded and represented to achieve multi-information fusion, thus improving the performance of entity alignment. Experiments on three benchmark data sets show that the proposed method Hit@K The evaluation indicators are better than the existing methods.

Accurate and real-time traffic state prediction is of great practical importance for urban traffic control and web mapping services. With the support of massive data, deep learning methods have shown their powerful capability in capturing the complex spatialtemporal patterns of traffic networks. However, existing approaches use pre-defined graphs and a simple set of spatial-temporal components, making it difficult to model multi-scale spatial-temporal dependencies. In this paper, we propose a novel dynamic graph convolution network with attention fusion to tackle this gap. The method first enhances the interaction of temporal feature dimensions, and then it combines a dynamic graph learner with GRU to jointly model synchronous spatial-temporal correlations. We also incorporate spatial-temporal attention modules to effectively capture longrange, multifaceted domain spatial-temporal patterns. We conduct extensive experiments in four real-world traffic datasets to demonstrate that our method surpasses state-of-the-art performance compared to 18 baseline methods.

Graph neural networks are among the most successful machine learning models for relational datasets like metabolic, transportation, and social networks. Yet the determinants of their strong generalization for diverse interactions encoded in the data are not well understood. Methods from statistical learning theory do not explain emergent phenomena such as double descent or the dependence of risk on the nature of interactions. We use analytical tools from statistical physics and random matrix theory to precisely characterize generalization in simple graph convolution networks on the contextual stochastic block model. The derived curves are phenomenologically rich: they explain the distinction between learning on homophilic and heterophilic and they predict double descent whose existence in GNNs has been questioned by recent work. We show how risk depends on the interplay between the noise in the graph, noise in the features, and the proportion of nodes used for training. Our analysis predicts qualitative behavior not only of a stylized graph learning model but also to complex GNNs on messy real-world datasets. As a case in point, we use these analytic insights about heterophily and self-loop signs to improve performance of state-of-the-art graph convolution networks on several heterophilic benchmarks by a simple addition of negative self-loop filters.

Predicating macroscopic influences of drugs on human body, like efficacy and toxicity, is a central problem of small-molecule based drug discovery. Molecules can be represented as an undirected graph, and we can utilize graph convolution networks to predication molecular properties. However, graph convolutional networks and other graph neural networks all focus on learning node-level representation rather than graph-level representation. Previous works simply sum all feature vectors for all nodes in the graph to obtain the graph feature vector for drug predication. In this paper, we introduce a dummy super node that is connected with all nodes in the graph by a directed edge as the representation of the graph and modify the graph operation to help the dummy super node learn graph-level feature. Thus, we can handle graph-level classification and regression in the same way as node-level classification and regression. In addition, we apply focal loss to address class imbalance in drug datasets. The experiments on MoleculeNet show that our method can effectively improve the performance of molecular properties predication.