Related papers: Using Random Noise Equivariantly to Boost Graph Ne…
Graph neural networks (GNNs) are emerging for machine learning research on graph-structured data. GNNs achieve state-of-the-art performance on many tasks, but they face scalability challenges when it comes to real-world applications that…
Edge intelligence has arisen as a promising computing paradigm for supporting miscellaneous smart applications that rely on machine learning techniques. While the community has extensively investigated multi-tier edge deployment for…
Equivariant Graph Neural Networks (eGNNs) trained on density-functional theory (DFT) data can potentially perform electronic structure prediction at unprecedented scales, enabling investigation of the electronic properties of materials with…
Graph neural networks (GNNs) are among the most powerful tools in deep learning. They routinely solve complex problems on unstructured networks, such as node classification, graph classification, or link prediction, with high accuracy.…
Graph Neural Networks (GNNs) have received extensive research attention for their promising performance in graph machine learning. Despite their extraordinary predictive accuracy, existing approaches, such as GCN and GPRGNN, are not robust…
Applications of machine learning techniques for materials modeling typically involve functions known to be equivariant or invariant to specific symmetries. While graph neural networks (GNNs) have proven successful in such tasks, they…
Graph Neural Networks (GNN) are inherently limited in their expressive power. Recent seminal works (Xu et al., 2019; Morris et al., 2019b) introduced the Weisfeiler-Lehman (WL) hierarchy as a measure of expressive power. Although this…
Geometric deep learning enables the encoding of physical symmetries in modeling 3D objects. Despite rapid progress in encoding 3D symmetries into Graph Neural Networks (GNNs), a comprehensive evaluation of the expressiveness of these…
Graph neural networks (GNNs) model representations from networked data and allow for decentralized inference through localized communications. Existing GNN architectures often assume ideal communications and ignore potential channel…
Fairness-aware Graph Neural Networks (GNNs) often face a challenging trade-off, where prioritizing fairness may require compromising utility. In this work, we re-examine fairness through the lens of spectral graph theory, aiming to…
Augmented graphs play a vital role in regularizing Graph Neural Networks (GNNs), which leverage information exchange along edges in graphs, in the form of message passing, for learning. Due to their effectiveness, simple edge and node…
Presently with technology node scaling, an accurate prediction model at early design stages can significantly reduce the design cycle. Especially during logic synthesis, predicting cell congestion due to improper logic combination can…
Convolutional neural networks (CNN) have been frequently used to extract subject-invariant features from electroencephalogram (EEG) for classification tasks. This approach holds the underlying assumption that electrodes are equidistant…
This paper introduces a new model to learn graph neural networks equivariant to rotations, translations, reflections and permutations called E(n)-Equivariant Graph Neural Networks (EGNNs). In contrast with existing methods, our work does…
Graph Neural Networks (GNNs) require a relatively large number of labeled nodes and a reliable/uncorrupted graph connectivity structure in order to obtain good performance on the semi-supervised node classification task. The performance of…
We aim to deepen the theoretical understanding of Graph Neural Networks (GNNs) on large graphs, with a focus on their expressive power. Existing analyses relate this notion to the graph isomorphism problem, which is mostly relevant for…
Due to the homophily assumption in graph convolution networks (GNNs), a common consensus in the graph node classification task is that GNNs perform well on homophilic graphs but may fail on heterophilic graphs with many inter-class edges.…
Graph Neural Networks (GNNs) have achieved remarkable success across diverse tasks on graph-structured data, primarily through the use of learned weights in message passing layers. In this paper, we demonstrate that random weights can be…
Graph neural networks (GNNs) are effective machine learning models for many graph-related applications. Despite their empirical success, many research efforts focus on the theoretical limitations of GNNs, i.e., the GNNs expressive power.…
Graph Neural Networks (GNNs) have proven to excel in predictive modeling tasks where the underlying data is a graph. However, as GNNs are extensively used in human-centered applications, the issue of fairness has arisen. While edge deletion…