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Graph similarity search is among the most important graph-based applications, e.g. finding the chemical compounds that are most similar to a query compound. Graph similarity computation, such as Graph Edit Distance (GED) and Maximum Common…

Machine Learning · Computer Science 2020-03-03 Yunsheng Bai , Hao Ding , Song Bian , Ting Chen , Yizhou Sun , Wei Wang

The design and performance of computer vision algorithms are greatly influenced by the hardware on which they are implemented. CPUs, multi-core CPUs, FPGAs and GPUs have inspired new algorithms and enabled existing ideas to be realized.…

Computer Vision and Pattern Recognition · Computer Science 2019-04-02 Lisa Tse , Peter Mountney , Paul Klein , Simone Severini

Graph structures are ubiquitous throughout the natural sciences. Here we consider graph-structured quantum data and describe how to carry out its quantum machine learning via quantum neural networks. In particular, we consider training data…

Quantum Physics · Physics 2021-03-22 Kerstin Beer , Megha Khosla , Julius Köhler , Tobias J. Osborne

Automated planning is one of the foundational areas of AI. Since no single planner can work well for all tasks and domains, portfolio-based techniques have become increasingly popular in recent years. In particular, deep learning emerges as…

Artificial Intelligence · Computer Science 2019-11-21 Tengfei Ma , Patrick Ferber , Siyu Huo , Jie Chen , Michael Katz

Learning a faithful directed acyclic graph (DAG) from samples of a joint distribution is a challenging combinatorial problem, owing to the intractable search space superexponential in the number of graph nodes. A recent breakthrough…

Machine Learning · Computer Science 2019-04-24 Yue Yu , Jie Chen , Tian Gao , Mo Yu

Many complex engineering systems can be represented in a topological form, such as graphs. This paper utilizes a machine learning technique called Geometric Deep Learning (GDL) to aid designers with challenging, graph-centric design…

Computational Engineering, Finance, and Science · Computer Science 2023-08-07 Anthony Sirico , Daniel R. Herber

We develop and implement two realizations of quantum graph neural networks (QGNN), applied to the task of particle interaction simulation. The first QGNN is a speculative quantum-classical hybrid learning model that relies on the ability to…

Dynamic programming is a cornerstone of graph-based optimization. While effective, it scales unfavorably with problem size. In this work, we present QuantGraph, a two-stage quantum-enhanced framework that casts local and global…

Predicting edge weights on graphs has various applications, from transportation systems to social networks. This paper describes a Graph Neural Network (GNN) approach for edge weight prediction with guaranteed coverage. We leverage…

Machine Learning · Computer Science 2024-06-13 Rui Luo , Nicolo Colombo

Graph Neural Networks (GNNs) is an architecture for structural data, and has been adopted in a mass of tasks and achieved fabulous results, such as link prediction, node classification, graph classification and so on. Generally, for a…

Machine Learning · Computer Science 2022-05-12 Ye Tang , Xuesong Yang , Xinrui Liu , Xiwei Zhao , Zhangang Lin , Changping Peng

Various machine learning models have been used to predict the properties of polycrystalline materials, but none of them directly consider the physical interactions among neighboring grains despite such microscopic interactions critically…

Materials Science · Physics 2021-07-16 Minyi Dai , Mehmet F. Demirel , Yingyu Liang , Jia-Mian Hu

Hardware-efficient circuits employed in Quantum Machine Learning are typically composed of alternating layers of uniformly applied gates. High-speed numerical simulators for such circuits are crucial for advancing research in this field. In…

Application-specific quantum computers offer the most efficient means to tackle problems intractable by classical computers. Realizing these architectures necessitates a deep understanding of quantum circuit properties and their…

This paper derives statistical guarantees for the performance of Graph Neural Networks (GNNs) in link prediction tasks on graphs generated by a graphon. We propose a linear GNN architecture (LG-GNN) that produces consistent estimators for…

Machine Learning · Computer Science 2024-02-08 Alan Chung , Amin Saberi , Morgane Austern

In this paper, we benchmark several existing graph neural network (GNN) models on different datasets for link predictions. In particular, the graph convolutional network (GCN), GraphSAGE, graph attention network (GAT) as well as variational…

Machine Learning · Computer Science 2021-02-26 Xing Wang , Alexander Vinel

The advent of Graph Neural Networks (GNNs) has revolutionized the field of machine learning, offering a novel paradigm for learning on graph-structured data. Unlike traditional neural networks, GNNs are capable of capturing complex…

Hardware Architecture · Computer Science 2024-06-26 Kaustubh Shivdikar

Graph Neural Networks (GNNs) have demonstrated remarkable efficacy in handling graph-structured data; however, they exhibit failures after deployment, which can cause severe consequences. Hence, conducting thorough testing before deployment…

Software Engineering · Computer Science 2025-12-23 Lichen Yang , Qiang Wang , Zhonghao Yang , Daojing He , Yu Li

Until recently, researchers used machine learning methods to compensate for hardware imperfections at the symbol level, indicating that optimum radio-frequency transceiver performance is possible. Nevertheless, such approaches neglect the…

Graph neural networks (GNNs) have extended the success of deep neural networks (DNNs) to non-Euclidean graph data, achieving ground-breaking performance on various tasks such as node classification and graph property prediction.…

Machine Learning · Computer Science 2021-12-17 Tianfeng Liu , Yangrui Chen , Dan Li , Chuan Wu , Yibo Zhu , Jun He , Yanghua Peng , Hongzheng Chen , Hongzhi Chen , Chuanxiong Guo

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…

Machine Learning · Computer Science 2025-11-25 Tung Giang Le , Xuan Tung Nguyen , Won-Joo Hwang