16 accepted papers
Over-smoothing (OSM) and over-squashing (OSQ) are two fundamental phenomena that limit the performance of Graph Neural Networks (GNNs), yet a unified spectral-spatial understanding of these phenomena remains underexplored. In this paper, we adopt polynomial spectral filters as an analytical tool to
Most existing Graph Neural Networks (GNNs) rely on the node-level message passing or attention mechanisms to propagate and extract useful information. Although recent advances attempt to move beyond purely the node-level propagation by constructing high-level representations, these approaches are of
Graph Neural Networks (GNNs) perform well on in-distribution data but often fail under out-of-distribution (OOD) shifts due to reliance on spurious patterns. To address this, we propose CauVQ, a causal vector quantization framework that improves OOD generalization by identifying and leveraging invar
Graph neural networks (GNNs) excel in graph analyzing tasks but often suffer from poor generalization under Out-of-Distribution (OOD) environments. Although this problem has attracted increasing attention, most solutions primarily rely on empirical designs, lacking effective mechanisms to characteri…
Graph neural networks (GNNs) have demonstrated impressive performance in a broad spectrum of fields, but always suffer from the generalization problem when confronted with out-of-distribution (OOD) scenarios. Information bottleneck (IB) principle, which endeavors to learn the minimally sufficient re
Graph Convolutional Networks (GCNs) are defined based on aggregating the node information of adjacent nodes, that are usually treated as equally important as each other, limiting the representational power of existing GCNs for graph classification. To address this shortcoming, we propose a novel Glo…
Graph Neural Networks (GNNs) have emerged as a dominant paradigm for graph classification. Specifically, most existing GNNs mainly rely on the message passing strategy between neighbor nodes, where the expressivity is limited by the 1-dimensional Weisfeiler-Lehman (1-WL) test. Although a number of k
Graph Neural Networks (GNNs) have achieved remarkable successes in graph analysis due to the Message-Passing (MP) mechanism, yet they struggle with heterophilic graphs where connected nodes often have distinct labels or dissimilar attributes. Graph Contrastive Learning (GCL) serves as a promising ap…
In this paper, we develop a novel local graph pooling method, namely the Separated Subgraph-based Hierarchical Pooling (SSHPool), for graph classification. We commence by assigning the nodes of a sample graph into different clusters, resulting in a family of separated subgraphs. We individually empl
In this paper, we propose a new model to learn Adaptive Kernel-based Representations (AKBR) for graph classification. Unlike state-of-the-art R-convolution graph kernels that are defined by merely counting any pair of isomorphic substructures between graphs and cannot provide an end-to-end learning
Graph Neural Networks (GNNs) are powerful tools for graph learning, but one of the important challenges is how to effectively extract representations for graph-level tasks. In this paper, we propose an end-to-end Simple Clustering Hierarchical Pooling (SCHPool) operation, which is based on Top-K nod
Graph-based representations are powerful tools for analyzing structured data. In this paper, we propose a novel model to learn Deep Hierarchical Attention-based Kernelized Representations (DHAKR) for graph classification. To this end, we commence by learning an assignment matrix to hierarchically ma…
In this paper, we propose a family of novel Deep Hierarchical Transitive-Aligned Graph Kernels (DHTAGK) for graph classification. To this end, we commence by developing a new Hierarchical Aligned Graph Auto-Encoder (HA-GAE) to construct transitive-aligned embedding graphs that encapsulate the struct
The over-smoothing has emerged as a major challenge in the development of Graph Neural Networks (GNNs). While existing state-of-the-art methods effectively mitigate the diminishing distance between nodes and improve the performance of node classification, they tend to be elusive for graph-level task
In this paper, we propose a Hierarchical Aligned Subtree Convolutional Network (HA-SCN) for graph classification. Our idea is to transform graphs of arbitrary sizes into fixed-sized aligned graphs and construct a normalized K-layer m-ary subtree for each node in the aligned graphs. By sliding convol
The problem of over-smoothing has emerged as a fundamental issue for Graph Convolutional Networks (GCNs). While existing efforts primarily focus on enhancing the discriminability of node representations for node classification, they tend to overlook the over-smoothing at the graph level, significant…