Related papers: An open unified deep graph learning framework for …

Probabilistic graphical modeling (PGM) provides a framework for formulating an interpretable generative process of data and expressing uncertainty about unknowns, but it lacks flexibility. Deep learning (DL) is an alternative framework for…

Brain network analysis plays an increasingly important role in studying brain function and the exploring of disease mechanisms. However, existing brain network construction tools have some limitations, including dependency on empirical…

We propose $\textbf{MGCL}$, a model-driven graph contrastive learning (GCL) framework that leverages graphons (probabilistic generative models for graphs) to guide contrastive learning by accounting for the data's underlying generative…

Federated Graph Learning (FGL) has garnered widespread attention by enabling collaborative training on multiple clients for semi-supervised classification tasks. However, most existing FGL studies do not well consider the missing…

Several `edge-discovery' applications over graph-based data models are known to have worst-case quadratic time complexity in the nodes, even if the discovered edges are sparse. One example is the generic link discovery problem between two…

New technology for energy storage is necessary for the large-scale adoption of renewable energy sources like wind and solar. The ability to discover suitable catalysts is crucial for making energy storage more cost-effective and scalable.…

Graph representation learning aim at integrating node contents with graph structure to learn nodes/graph representations. Nevertheless, it is found that many existing graph learning methods do not work well on data with high heterophily…

Drug discovery and development is a complex and costly process. Machine learning approaches are being investigated to help improve the effectiveness and speed of multiple stages of the drug discovery pipeline. Of these, those that use…

Graph Neural Networks (GNNs) are emerging as a powerful tool for learning from graph-structured data and performing sophisticated inference tasks in various application domains. Although GNNs have been shown to be effective on modest-sized…

In this work, we propose the Generative Latent Flow (GLF), an algorithm for generative modeling of the data distribution. GLF uses an Auto-encoder (AE) to learn latent representations of the data, and a normalizing flow to map the…

Dynamic graph learning (DGL) aims to learn informative and temporally-evolving node embeddings to support downstream tasks such as link prediction. A fundamental challenge in DGL lies in effectively modeling both the temporal dynamics and…

Self-supervised learning of graph neural networks (GNN) is in great need because of the widespread label scarcity issue in real-world graph/network data. Graph contrastive learning (GCL), by training GNNs to maximize the correspondence…

Unsupervised learning of generative models has seen tremendous progress over recent years, in particular due to generative adversarial networks (GANs), variational autoencoders, and flow-based models. GANs have dramatically improved sample…

Heterogeneous graph neural networks (HGNNs) have significantly propelled the information retrieval (IR) field. Still, the effectiveness of HGNNs heavily relies on high-quality labels, which are often expensive to acquire. This challenge has…

The development of novel pharmaceuticals represents a significant challenge in modern science, with substantial costs and time investments. Deep generative models have emerged as promising tools for accelerating drug discovery by…

Deep Learning systems (DL) based on Deep Neural Networks (DNNs) are more and more used in various aspects of our life, including unmanned vehicles, speech processing, and robotics. However, due to the limited dataset and the dependence on…

Graph Neural Networks (GNNs) have demonstrated significant success in learning from graph-structured data but often struggle on heterophilous graphs, where connected nodes differ in features or class labels. This limitation arises from…

Advancing research in the emerging field of deep graph learning requires new tools to support tensor computation over graphs. In this paper, we present the design principles and implementation of Deep Graph Library (DGL). DGL distills the…

Federated learning has emerged as an important paradigm for training machine learning models in different domains. For graph-level tasks such as graph classification, graphs can also be regarded as a special type of data samples, which can…

Drug Discovery is a fundamental and ever-evolving field of research. The design of new candidate molecules requires large amounts of time and money, and computational methods are being increasingly employed to cut these costs. Machine…