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Quantum neural network architectures that have little-to-no inductive biases are known to face trainability and generalization issues. Inspired by a similar problem, recent breakthroughs in machine learning address this challenge by…

Quantum convolutional neural networks (QCNNs) represent a promising approach in quantum machine learning, paving new directions for both quantum and classical data analysis. This approach is particularly attractive due to the absence of the…

In recent years, quantum computing has emerged as a transformative force in the field of combinatorial optimization, offering novel approaches to tackling complex problems that have long challenged classical computational methods. Among…

The prediction of physicochemical properties from molecular structures is a crucial task for artificial intelligence aided molecular design. A growing number of Graph Neural Networks (GNNs) have been proposed to address this challenge.…

In this paper, we address the challenge of solving large-scale graph-structured nonlinear programs (gsNLPs) in a scalable manner. GsNLPs are problems in which the objective and constraint functions are associated with nodes on a graph and…

Triangular arbitrage is a profitable trading strategy in financial markets that exploits discrepancies in currency exchange rates. Traditional methods for detecting triangular arbitrage opportunities, such as exhaustive search algorithms…

While convolutional neural networks (CNNs) have recently made great strides in supervised classification of data structured on a grid (e.g. images composed of pixel grids), in several interesting datasets, the relations between features can…

Graph neural networks (GNNs) have significantly improved the representation power for graph-structured data. Despite of the recent success of GNNs, the graph convolution in most GNNs have two limitations. Since the graph convolution is…

Over the last few years, we have witnessed the availability of an increasing data generated from non-Euclidean domains, which are usually represented as graphs with complex relationships, and Graph Neural Networks (GNN) have gained a high…

Sparse matrix computations are ubiquitous in scientific computing. With the recent interest in scientific machine learning, it is natural to ask how sparse matrix computations can leverage neural networks (NN). Unfortunately, multi-layer…

Graph neural networks (GNNs) have been widely used in representation learning on graphs and achieved state-of-the-art performance in tasks such as node classification and link prediction. However, most existing GNNs are designed to learn…

OPF problems are formulated and solved for power system operations, especially for determining generation dispatch points in real-time. For large and complex power system networks with large numbers of variables and constraints, finding the…

Graph neural networks (GNNs) have recently been demonstrated to perform well on a variety of network-based tasks such as decentralized control and resource allocation, and provide computationally efficient methods for these tasks which have…

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.…

The neural network and quantum computing are both significant and appealing fields, with their interactive disciplines promising for large-scale computing tasks that are untackled by conventional computers. However, both developments are…

In this work, we provide a new formulation for Graph Convolutional Neural Networks (GCNNs) for link prediction on graph data that addresses common challenges for biomedical knowledge graphs (KGs). We introduce a regularized attention…

Due to the fact much of today's data can be represented as graphs, there has been a demand for generalizing neural network models for graph data. One recent direction that has shown fruitful results, and therefore growing interest, is the…

Deep learning has consistently defied state-of-the-art techniques in many fields over the last decade. However, we are just beginning to understand the capabilities of neural learning in symbolic domains. Deep learning architectures that…

Increasing wireless network complexity demands scalable resource management. Classical GNNs excel at graph learning but incur high computational costs in large-scale settings. We present a fully quantum Graph Neural Network (QGNN) that…

Graph Convolutional Networks (GCNs) have recently become the primary choice for learning from graph-structured data, superseding hash fingerprints in representing chemical compounds. However, GCNs lack the ability to take into account the…