Related papers: Measuring Over-smoothing beyond Dirichlet energy

Neighborhood Aggregation Strategy (NAS) is a widely used approach in graph embedding, underpinning both Graph Neural Networks (GNNs) and Weisfeiler-Lehman (WL) methods. However, NAS-based methods are identified to be prone to…

In this work, we generalize the ideas of Kaiming initialization to Graph Neural Networks (GNNs) and propose a new scheme (G-Init) that reduces oversmoothing, leading to very good results in node and graph classification tasks. GNNs are…

Reservoir computing has been successfully applied to graphs as a preprocessing method to improve the training efficiency of Graph Neural Networks (GNNs). However, a common issue that arises when repeatedly applying layer operators on graphs…

Graph Neural Networks (GNNs) have demonstrated impressive performance across diverse graph-based tasks by leveraging message passing to capture complex node relationships. However, on large-scale real-world graphs, GNNs face two major…

This work develops a flexible and mathematically sound framework for the design and analysis of graph scattering networks with variable branching ratios and generic functional calculus filters. Spectrally-agnostic stability guarantees for…

The lack of anisotropic kernels in graph neural networks (GNNs) strongly limits their expressiveness, contributing to well-known issues such as over-smoothing. To overcome this limitation, we propose the first globally consistent…

Graph transformers achieve strong results on molecular and long-range reasoning tasks, yet remain hampered by over-smoothing (the progressive collapse of node representations with depth) and attention entropy degeneration. We observe that…

Graphs with heterophily, where adjacent nodes carry different labels, are prevalent in real-world applications, from social networks to molecular interactions. However, existing spectral Graph Neural Network (GNN) approaches tailored for…

Hypergraph neural networks (HGNNs) have demonstrated strong capabilities in modeling complex higher-order relationships. However, existing HGNNs often suffer from over-smoothing as the number of layers increases and lack effective control…

Graph neural networks (GNNs) have demonstrated significant promise in modelling relational data and have been widely applied in various fields of interest. The key mechanism behind GNNs is the so-called message passing where information is…

While graph neural networks (GNNs) have allowed researchers to successfully apply neural networks to non-Euclidean domains, deep GNNs often exhibit lower predictive performance than their shallow counterparts. This phenomena has been…

Energy-based models for discrete domains, such as graphs, explicitly capture relative likelihoods, naturally enabling composable probabilistic inference tasks like conditional generation or enforcing constraints at test-time. However,…

Graph-based semi-supervised node classification has been shown to become a state-of-the-art approach in many applications with high research value and significance. Most existing methods are only based on the original intrinsic or…

While Graph Neural Networks (GNNs) have recently become the de facto standard for modeling relational data, they impose a strong assumption on the availability of the node or edge features of the graph. In many real-world applications,…

Feature selection (FS) plays an important role in machine learning, which extracts important features and accelerates the learning process. In this paper, we propose a deep FS method that simultaneously conducts feature selection and…

We introduce Graph Hopfield Networks, whose energy function couples associative memory retrieval with graph Laplacian smoothing for node classification. Gradient descent on this joint energy yields an iterative update interleaving Hopfield…

Graph Neural Networks (GNNs) have shown remarkable performance in the healthcare domain. However, what remained challenging is quantifying the predictive uncertainty of GNNs, which is an important aspect of trustworthiness in clinical…

Glass-forming liquids exhibit slow dynamics below their melting temperatures, maintaining an amorphous structure reminiscent of normal liquids. Distinguishing microscopic structures in the supercooled and high-temperature regimes remains a…

Various Graph Neural Networks (GNNs) have been successful in analyzing data in non-Euclidean spaces, however, they have limitations such as oversmoothing, i.e., information becomes excessively averaged as the number of hidden layers…

The increased awareness regarding the impact of energy consumption on the environment has led to an increased focus on reducing energy consumption. Feedback on the appliance level energy consumption can help in reducing the energy demands…