相关论文: Strategies for Pre-training Graph Neural Networks

Graph Neural Networks (GNNs) have shown success in learning from graph-structured data, with applications to fraud detection, recommendation, and knowledge graph reasoning. However, training GNN efficiently is challenging because: 1) GPU…

Constructing transferable descriptors for conformation representation of molecular and biological systems finds numerous applications in drug discovery, learning-based molecular dynamics, and protein mechanism analysis. Geometric graph…

Training Graph Neural Networks (GNNs) on large graphs presents unique challenges due to the large memory and computing requirements. Distributed GNN training, where the graph is partitioned across multiple machines, is a common approach to…

Graph Neural Networks (GNNs) have become the backbone for a myriad of tasks pertaining to graphs and similar topological data structures. While many works have been established in domains related to node and graph classification/regression…

Being able to predict the performance of circuits without running expensive simulations is a desired capability that can catalyze automated design. In this paper, we present a supervised pretraining approach to learn circuit representations…

Graph Neural Networks (GNNs) have gained significant attention in recent years due to their ability to learn representations of graph-structured data. Two common methods for training GNNs are mini-batch training and full-graph training.…

In this paper, we study using graph neural networks (GNNs) for \textit{multi-node representation learning}, where a representation for a set of more than one node (such as a link) is to be learned. Existing GNNs are mainly designed to learn…

Model pre-training on large text corpora has been demonstrated effective for various downstream applications in the NLP domain. In the graph mining domain, a similar analogy can be drawn for pre-training graph models on large graphs in the…

Semi-supervised node classification on graphs is an important research problem, with many real-world applications in information retrieval such as content classification on a social network and query intent classification on an e-commerce…

In the last decade or so, we have witnessed deep learning reinvigorating the machine learning field. It has solved many problems in the domains of computer vision, speech recognition, natural language processing, and various other tasks…

Graph neural networks (GNNs) have brought revolutionary advancements to the field of link prediction (LP), providing powerful tools for mining potential relationships in graphs. However, existing methods face challenges when dealing with…

Label propagation is a powerful and flexible semi-supervised learning technique on graphs. Neural networks, on the other hand, have proven track records in many supervised learning tasks. In this work, we propose a training framework with a…

Graph-structured data are pervasive in the real-world such as social networks, molecular graphs and transaction networks. Graph neural networks (GNNs) have achieved great success in representation learning on graphs, facilitating various…

Link prediction is a fundamental problem in graph data analysis. While most of the literature focuses on transductive link prediction that requires all the graph nodes and majority of links in training, inductive link prediction, which only…

Subgraph representation learning based on Graph Neural Network (GNN) has exhibited broad applications in scientific advancements, such as predictions of molecular structure-property relationships and collective cellular function. In…

Graph Neural Networks (GNNs) are a powerful representational tool for solving problems on graph-structured inputs. In almost all cases so far, however, they have been applied to directly recovering a final solution from raw inputs, without…

Large-scale graph data in real-world applications is often not static but dynamic, i. e., new nodes and edges appear over time. Current graph convolution approaches are promising, especially, when all the graph's nodes and edges are…

Graph Neural Networks (GNNs) have been studied through the lens of expressive power and generalization. However, their optimization properties are less well understood. We take the first step towards analyzing GNN training by studying the…

Lots of learning tasks require dealing with graph data which contains rich relation information among elements. Modeling physics systems, learning molecular fingerprints, predicting protein interface, and classifying diseases demand a model…

Graph neural networks (GNNs) are widely applied in graph data modeling. However, existing GNNs are often trained in a task-driven manner that fails to fully capture the intrinsic nature of the graph structure, resulting in sub-optimal node…