相关论文: Logical Characterizations of GNNs with Mean Aggreg…

The dominant paradigm for learning on graph-structured data is message passing. Despite being a strong inductive bias, the local message passing mechanism suffers from pathological issues such as over-smoothing, over-squashing, and limited…

Despite much research, Graph Neural Networks (GNNs) still do not display the favorable scaling properties of other deep neural networks such as Convolutional Neural Networks and Transformers. Previous work has identified issues such as…

A fundamental challenge in understanding graph neural networks (GNNs) lies in characterizing their optimization dynamics and loss landscape geometry, critical for improving interpretability and robustness. While mode connectivity, a lens…

Graph Neural Networks (GNNs) have shown expressive performance on graph representation learning by aggregating information from neighbors. Recently, some studies have discussed the importance of modeling neighborhood distribution on the…

In this paper, we fully answer the above question through a key algebraic condition on graph functions, called \textit{permutation compatibility}, that relates permutations of weights and features of the graph to functional constraints. We…

In recent years, Graph Neural Network (GNN) has bloomly progressed for its power in processing graph-based data. Most GNNs follow a message passing scheme, and their expressive power is mathematically limited by the discriminative ability…

Graph convolutional networks (GCNs) are a widely used method for graph representation learning. To elucidate the capabilities and limitations of GCNs, we investigate their power, as a function of their number of layers, to distinguish…

It has been observed that message-passing graph neural networks (GNN) sometimes struggle to maintain a healthy balance between the efficient/scalable modeling of long-range dependencies across nodes while avoiding unintended consequences…

Knowledge graphs, modeling multi-relational data, improve numerous applications such as question answering or graph logical reasoning. Many graph neural networks for such data emerged recently, often outperforming shallow architectures.…

Graph neural networks (GNNs) are a class of deep models that operate on data with arbitrary topology represented as graphs. We introduce an efficient memory layer for GNNs that can jointly learn node representations and coarsen the graph.…

Graph Neural Networks (GNNs) are a broad class of connectionist models for graph processing. Recent studies have shown that GNNs can approximate any function on graphs, modulo the equivalence relation on graphs defined by the…

From the perspective of expressive power, this work compares multi-layer Graph Neural Networks (GNNs) with a simplified alternative that we call Graph-Augmented Multi-Layer Perceptrons (GA-MLPs), which first augments node features with…

We introduce a new logic for describing properties of graphs, which we call low rank MSO. This is the fragment of monadic second-order logic in which set quantification is restricted to vertex sets of bounded cutrank. We prove the following…

Recently, subgraph GNNs have emerged as an important direction for developing expressive graph neural networks (GNNs). While numerous architectures have been proposed, so far there is still a limited understanding of how various design…

Graph Neural Network (GNN) is a popular architecture for the analysis of chemical molecules, and it has numerous applications in material and medicinal science. Current lines of GNNs developed for molecular analysis, however, do not fit…

Graph Neural Networks (GNNs) have emerged as a powerful tool for data-driven learning on various graph domains. They are usually based on a message-passing mechanism and have gained increasing popularity for their intuitive formulation,…

Neural networks have succeeded in many reasoning tasks. Empirically, these tasks require specialized network structures, e.g., Graph Neural Networks (GNNs) perform well on many such tasks, but less structured networks fail. Theoretically,…

Prior to the introduction of Graph Neural Networks (GNNs), modeling and analyzing irregular data, particularly graphs, was thought to be the Achilles' heel of deep learning. The core concept of GNNs is to find a representation by…

Graph neural networks (GNNs) have achieved remarkable success as a framework for deep learning on graph-structured data. However, GNNs are fundamentally limited by their tree-structured inductive bias: the WL-subtree kernel formulation…

Oversmoothing has been recognized as a main obstacle to building deep Graph Neural Networks (GNNs), limiting the performance. This position paper argues that the influence of oversmoothing has been overstated and advocates for a further…