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Recent advancements in graph learning have revolutionized the way to understand and analyze data with complex structures. Notably, Graph Neural Networks (GNNs), i.e. neural network architectures designed for learning graph representations,…
Graph Neural Networks (GNNs) have garnered considerable interest due to their exceptional performance in a wide range of graph machine learning tasks. Nevertheless, the majority of GNN-based approaches have been examined using…
Many applications of machine learning require a model to make accurate pre-dictions on test examples that are distributionally different from training ones, while task-specific labels are scarce during training. An effective approach to…
The ability of a graph neural network (GNN) to leverage both the graph topology and graph labels is fundamental to building discriminative node and graph embeddings. Building on previous work, we theoretically show that edGNN, our model for…
Advanced graph neural networks have shown great potentials in graph classification tasks recently. Different from node classification where node embeddings aggregated from local neighbors can be directly used to learn node labels, graph…
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…
With the ubiquitous graph-structured data in various applications, models that can learn compact but expressive vector representations of nodes have become highly desirable. Recently, bearing the message passing paradigm, graph neural…
Recent years have witnessed the great potential of attention mechanism in graph representation learning. However, while variants of attention-based GNNs are setting new benchmarks for numerous real-world datasets, recent works have pointed…
Multitude of deep learning models have been proposed for node classification in graphs. However, they tend to perform poorly under labeled-data scarcity. Although Few-shot learning for graphs has been introduced to overcome this problem,…
Developing models that can learn to reason is a notoriously challenging problem. We focus on reasoning in relational domains, where the use of Graph Neural Networks (GNNs) seems like a natural choice. However, previous work has shown that…
Graph Neural Networks (GNNs) for prediction tasks like node classification or edge prediction have received increasing attention in recent machine learning from graphically structured data. However, a large quantity of labeled graphs is…
Graph Neural Networks (GNNs) have been highly successful for the node classification task. GNNs typically assume graphs are homophilic, i.e. neighboring nodes are likely to belong to the same class. However, a number of real-world graphs…
Currently, attention mechanisms have garnered increasing attention in Graph Neural Networks (GNNs), such as Graph Attention Networks (GATs) and Graph Transformers (GTs). It is not only due to the commendable boost in performance they offer…
Deep learning methods for graphs achieve remarkable performance on many node-level and graph-level prediction tasks. However, despite the proliferation of the methods and their success, prevailing Graph Neural Networks (GNNs) neglect…
Graph classification is an important area in both modern research and industry. Multiple applications, especially in chemistry and novel drug discovery, encourage rapid development of machine learning models in this area. To keep up with…
Graph neural networks (GNNs) are widely believed to excel at node representation learning through trainable neighborhood aggregations. We challenge this view by introducing Fixed Aggregation Features (FAFs), a training-free approach that…
Graph convolutional neural networks (GCNN) have been successfully applied to many different graph based learning tasks including node and graph classification, matrix completion, and learning of node embeddings. Despite their impressive…
Understanding and interacting with everyday physical scenes requires rich knowledge about the structure of the world, represented either implicitly in a value or policy function, or explicitly in a transition model. Here we introduce a new…
Graph Neural Networks (GNNs) have achieved unprecedented success in identifying categorical labels of graphs. However, most existing graph classification problems with GNNs follow the protocol of balanced data splitting, which misaligns…
Graph neural networks (GNN) are powerful models for many graph-structured tasks. Existing models often assume that the complete structure of the graph is available during training. In practice, however, graph-structured data is usually…