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There are many real-world knowledge based networked systems with multi-type interacting entities that can be regarded as heterogeneous networks including human connections and biological evolutions. One of the main issues in such networks…
How can we accurately classify graphs? Graph classification is a pivotal task in data mining with applications in social network analysis, web analysis, drug discovery, molecular property prediction, etc. Graph neural networks have achieved…
Graph neural networks (GNNs) have demonstrated significant promise in modelling relational data and have been widely applied in various fields of interest. The key mechanism behind GNNs is the so-called message passing where information is…
Graph-based semi-supervised learning usually involves two separate stages, constructing an affinity graph and then propagating labels for transductive inference on the graph. It is suboptimal to solve them independently, as the correlation…
In general, graph representation learning methods assume that the train and test data come from the same distribution. In this work we consider an underexplored area of an otherwise rapidly developing field of graph representation learning:…
Physical systems with complex unsteady dynamics, such as fluid flows, are often poorly represented by a single mean solution. For many practical applications, it is crucial to access the full distribution of possible states, from which…
Temporal graph is an abstraction for modeling dynamic systems that consist of evolving interaction elements. In this paper, we aim to solve an important yet neglected problem -- how to learn information from high-order neighbors in temporal…
In recent years, Dynamic Graph (DG) representations have been increasingly used for modeling dynamic systems due to their ability to integrate both topological and temporal information in a compact representation. Dynamic graphs allow to…
Representation learning on graphs has emerged as a powerful mechanism to automate feature vector generation for downstream machine learning tasks. The advances in representation on graphs have centered on both homogeneous and heterogeneous…
Graph structured data often possess dynamic characters in nature. Recent years have witnessed the increasing attentions paid to dynamic graph neural networks for modelling graph data. However, almost all existing approaches operate under…
Diffusion probabilistic models (DPMs), widely recognized for their potential to generate high-quality samples, tend to go unnoticed in representation learning. While recent progress has highlighted their potential for capturing visual…
Network representation learning has exploded recently. However, existing studies usually reconstruct networks as sequences or matrices, which may cause information bias or sparsity problem during model training. Inspired by a cognitive…
Effective information analysis generally boils down to properly identifying the structure or geometry of the data, which is often represented by a graph. In some applications, this structure may be partly determined by design constraints or…
Learning graph representations is a fundamental task aimed at capturing various properties of graphs in vector space. The most recent methods learn such representations for static networks. However, real world networks evolve over time and…
Representation learning on graphs, also called graph embedding, has demonstrated its significant impact on a series of machine learning applications such as classification, prediction and recommendation. However, existing work has largely…
In complex systems, information propagation can be defined as diffused or delocalized, weakly localized, and strongly localized. This study investigates the application of graph neural network models to learn the behavior of a linear…
Graph diffusion models have recently been proposed to synthesize entire graphs, such as molecule graphs. Although existing methods have shown great performance in generating entire graphs for graph-level learning tasks, no graph diffusion…
Graph neural networks have recently achieved remarkable success in representing graph-structured data, with rapid progress in both the node embedding and graph pooling methods. Yet, they mostly focus on capturing information from the nodes…
Most recent works focus on answering first order logical queries to explore the knowledge graph reasoning via multi-hop logic predictions. However, existing reasoning models are limited by the circumscribed logical paradigms of training…
Molecular representation learning has shown great success in advancing AI-based drug discovery. The core of many recent works is based on the fact that the 3D geometric structure of molecules provides essential information about their…