相关论文: GQWformer: A Quantum-based Transformer for Graph R…

We introduce a transformer-based GNN model, named UGformer, to learn graph representations. In particular, we present two UGformer variants, wherein the first variant (publicized in September 2019) is to leverage the transformer on a set of…

The paradigm of Transformers using the self-attention mechanism has manifested its advantage in learning graph-structured data. Yet, Graph Transformers are capable of modeling full range dependencies but are often deficient in extracting…

Recently, Transformers for graph representation learning have become increasingly popular, achieving state-of-the-art performance on a wide-variety of graph datasets, either alone or in combination with message-passing graph neural networks…

Graph neural networks are powerful architectures for structured datasets. However, current methods struggle to represent long-range dependencies. Scaling the depth or width of GNNs is insufficient to broaden receptive fields as larger GNNs…

Despite their widespread success in various domains, Transformer networks have yet to perform well across datasets in the domain of 3D atomistic graphs such as molecules even when 3D-related inductive biases like translational invariance…

Transformer-based models have recently shown success in representation learning on graph-structured data beyond natural language processing and computer vision. However, the success is limited to small-scale graphs due to the drawbacks of…

Real-world graphs naturally exhibit hierarchical or cyclical structures that are unfit for the typical Euclidean space. While there exist graph neural networks that leverage hyperbolic or spherical spaces to learn representations that embed…

To alleviate the local receptive issue of GCN, Transformers have been exploited to capture the long range dependences of nodes for graph data representation and learning. However, existing graph Transformers generally employ regular…

Graph Transformers (GTs) have demonstrated great effectiveness across various graph analytical tasks. However, the existing GTs focus on training and testing graph data originated from the same distribution, but fail to generalize under…

Despite the success of Transformer models in vision and language tasks, they often learn knowledge from enormous data implicitly and cannot utilize structured input data directly. On the other hand, structured learning approaches such as…

Transformers have achieved remarkable performance in a myriad of fields including natural language processing and computer vision. However, when it comes to the graph mining area, where graph neural network (GNN) has been the dominant…

The development of Graph Neural Networks (GNNs) has led to great progress in machine learning on graph-structured data. These networks operate via diffusing information across the graph nodes while capturing the structure of the graph.…

Transformers are increasingly employed for graph data, demonstrating competitive performance in diverse tasks. To incorporate graph information into these models, it is essential to enhance node and edge features with positional encodings.…

Constructing appropriate representations of molecules lies at the core of numerous tasks such as material science, chemistry and drug designs. Recent researches abstract molecules as attributed graphs and employ graph neural networks (GNN)…

Graph neural networks (GNNs) are a powerful framework for learning representations from graph-structured data, but their direct implementation on near-term quantum hardware remains challenging due to circuit depth, multi-qubit interactions,…

Transformers, adapted from natural language processing, are emerging as a leading approach for graph representation learning. Contemporary graph transformers often treat nodes or edges as separate tokens. This approach leads to…

Knowledge graph reasoning plays a vital role in various applications and has garnered considerable attention. Recently, path-based methods have achieved impressive performance. However, they may face limitations stemming from constraints in…

We propose an extension to the transformer neural network architecture for general-purpose graph learning by adding a dedicated pathway for pairwise structural information, called edge channels. The resultant framework - which we call…

In representation learning on graph-structured data, many popular graph neural networks (GNNs) fail to capture long-range dependencies, leading to performance degradation. Furthermore, this weakness is magnified when the concerned graph is…

Graph neural networks (GNNs) have been widely adopted in engineering applications such as social network analysis, chemical research and computer vision. However, their efficacy is severely compromised by the inherent homophily assumption,…