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Training deep graph neural networks (GNNs) is notoriously hard. Besides the standard plights in training deep architectures such as vanishing gradients and overfitting, it also uniquely suffers from over-smoothing, information squashing,…

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…

We present ReHub, a novel graph transformer architecture that achieves linear complexity through an efficient reassignment technique between nodes and virtual nodes. Graph transformers have become increasingly important in graph learning…

Heterogeneous graph neural networks (HGNNs) were proposed for representation learning on structural data with multiple types of nodes and edges. To deal with the performance degradation issue when HGNNs become deep, researchers combine…

Message-Passing Neural Networks (MPNNs) have become a cornerstone for processing and analyzing graph-structured data. However, their effectiveness is often hindered by phenomena such as over-squashing, where long-range dependencies or…

State-of-the-art Graph Neural Networks (GNNs) have limited scalability with respect to the graph and model sizes. On large graphs, increasing the model depth often means exponential expansion of the scope (i.e., receptive field). Beyond…

Graph neural networks (GNNs) are widely used as surrogates for costly experiments and first-principles simulations to study the behavior of compounds at atomistic scale, and their architectural complexity is constantly increasing to enable…

Learning graph-structured data with graph neural networks (GNNs) has been recently emerging as an important field because of its wide applicability in bioinformatics, chemoinformatics, social network analysis and data mining. Recent GNN…

Recent advances in Graph Neural Networks (GNNs) have revolutionized graph-structured data modeling, yet traditional GNNs struggle with complex heterogeneous structures prevalent in real-world scenarios. Despite progress in handling…

In this paper, we present LiGNN, a deployed large-scale Graph Neural Networks (GNNs) Framework. We share our insight on developing and deployment of GNNs at large scale at LinkedIn. We present a set of algorithmic improvements to the…

Continuous graph neural networks (CGNNs) have garnered significant attention due to their ability to generalize existing discrete graph neural networks (GNNs) by introducing continuous dynamics. They typically draw inspiration from…

As one of the core technologies for 5G systems, massive multiple-input multiple-output (MIMO) introduces dramatic capacity improvements along with very high beamforming and spatial multiplexing gains. When developing efficient physical…

Graph neural networks excel at graph representation learning but struggle with heterophilous data and long-range dependencies. And graph transformers address these issues through self-attention, yet face scalability and noise challenges on…

Cellular coverage quality estimation has been a critical task for self-organized networks. In real-world scenarios, deep-learning-powered coverage quality estimation methods cannot scale up to large areas due to little ground truth can be…

Graph neural networks (GNNs) are widely used for modelling graph-structured data in numerous applications. However, with their inherently finite aggregation layers, existing GNN models may not be able to effectively capture long-range…

While Graph Neural Networks (GNNs) are powerful models for learning representations on graphs, most state-of-the-art models do not have significant accuracy gain beyond two to three layers. Deep GNNs fundamentally need to address: 1).…

Heterogeneous information network (HIN) embedding, aiming to map the structure and semantic information in a HIN to distributed representations, has drawn considerable research attention. Graph neural networks for HIN embeddings typically…

Understanding and predicting interface diffusion phenomena in materials is crucial for various industrial applications, including semiconductor manufacturing, battery technology, and catalysis. In this study, we propose a novel approach…

Graph neural networks are emerging as continuation of deep learning success w.r.t. graph data. Tens of different graph neural network variants have been proposed, most following a neighborhood aggregation scheme, where the node features are…

Electroencephalography(EEG) classification is a crucial task in neuroscience, neural engineering, and several commercial applications. Traditional EEG classification models, however, have often overlooked or inadequately leveraged the…