Related papers: Towards Explanation for Unsupervised Graph-Level R…

Unsupervised graph representation learning aims to learn low-dimensional node embeddings without supervision while preserving graph topological structures and node attributive features. Previous graph neural networks (GNN) require a large…

Despite their success in various domains, the growing dependence on GNNs raises a critical concern about the nature of the combinatorial reasoning underlying their predictions, which is often hidden within their black-box architectures.…

Temporal graph learning is crucial for dynamic networks where nodes and edges evolve over time and new nodes continuously join the system. Inductive representation learning in such settings faces two major challenges: effectively…

Graph Neural Networks (GNNs) have achieved state-of-the-art results for semi-supervised node classification on graphs. Nevertheless, the challenge of how to effectively learn GNNs with very few labels is still under-explored. As one of the…

Graph pooling is an essential ingredient of Graph Neural Networks (GNNs) in graph classification and regression tasks. For these tasks, different pooling strategies have been proposed to generate a graph-level representation by downsampling…

The information bottleneck principle provides an information-theoretic method for representation learning, by training an encoder to retain all information which is relevant for predicting the label while minimizing the amount of other,…

Graph neural networks have pushed state-of-the-arts in graph classifications recently. Typically, these methods are studied within the context of supervised end-to-end training, which necessities copious task-specific labels. However, in…

In this theory paper, we investigate training deep neural networks (DNNs) for classification via minimizing the information bottleneck (IB) functional. We show that the resulting optimization problem suffers from two severe issues: First,…

Recently, subgraphs-enhanced Graph Neural Networks (SGNNs) have been introduced to enhance the expressive power of Graph Neural Networks (GNNs), which was proved to be not higher than the 1-dimensional Weisfeiler-Leman isomorphism test. The…

Graph neural networks (GNNs) rely mainly on the message-passing paradigm to propagate node features and build interactions, and different graph learning problems require different ranges of node interactions. In this work, we explore the…

Graph neural networks (GNNs) excel on relational data by passing messages over node features and structure, but they can amplify training data biases, propagating discriminatory attributes and structural imbalances into unfair outcomes.…

In recent years, graph neural networks (GNNs) have emerged as a successful tool in a variety of graph-related applications. However, the performance of GNNs can be deteriorated when noisy connections occur in the original graph structures;…

Deep Neural Networks (DNNs) are analyzed via the theoretical framework of the information bottleneck (IB) principle. We first show that any DNN can be quantified by the mutual information between the layers and the input and output…

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…

Although link prediction on graphs has achieved great success with the development of graph neural networks (GNNs), the potential robustness under the edge noise is still less investigated. To close this gap, we first conduct an empirical…

Graphical models capture relations between entities in a wide range of applications including social networks, biology, and natural language processing, among others. Graph neural networks (GNN) are neural models that operate over graphs,…

One main challenge in imbalanced graph classification is to learn expressive representations of the graphs in under-represented (minority) classes. Existing generic imbalanced learning methods, such as oversampling and imbalanced learning…

Molecular dynamics simulations offer detailed insights into atomic motions but face timescale limitations. Enhanced sampling methods have addressed these challenges but even with machine learning, they often rely on pre-selected…

Despite the success of Graph Neural Networks (GNNs) on various applications, GNNs encounter significant performance degradation when the amount of supervision signals, i.e., number of labeled nodes, is limited, which is expected as GNNs are…

Unsupervised learning allows us to leverage unlabelled data, which has become abundantly available, and to create embeddings that are usable on a variety of downstream tasks. However, the typical lack of interpretability of unsupervised…