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Quantum Graph Neural Networks (QGNNs) represent a novel fusion of quantum computing and Graph Neural Networks (GNNs), aimed at overcoming the computational and scalability challenges inherent in classical GNNs that are powerful tools for…

Most previous learning-based graph matching algorithms solve the \textit{quadratic assignment problem} (QAP) by dropping one or more of the matching constraints and adopting a relaxed assignment solver to obtain sub-optimal correspondences.…

Computer Vision and Pattern Recognition · Computer Science 2022-01-06 He Liu , Tao Wang , Yidong Li , Congyan Lang , Songhe Feng , Haibin Ling

Optimal power flow (OPF) has been used for real-time grid operations. Prior efforts demonstrated that utilizing flexibility from dynamic topologies will improve grid efficiency. However, this will convert the linear OPF into a mixed-integer…

Systems and Control · Electrical Eng. & Systems 2024-10-24 Thuan Pham , Xingpeng Li

We introduce Quantum Graph Neural Networks (QGNN), a new class of quantum neural network ansatze which are tailored to represent quantum processes which have a graph structure, and are particularly suitable to be executed on distributed…

Graph Neural Networks (GNNs) are a powerful tool for handling structured graph data and addressing tasks such as node classification, graph classification, and clustering. However, the sparse nature of GNN computation poses new challenges…

Machine Learning · Computer Science 2023-08-24 Julia Bazinska , Andrei Ivanov , Tal Ben-Nun , Nikoli Dryden , Maciej Besta , Siyuan Shen , Torsten Hoefler

Reinforcement learning methods typically use Deep Neural Networks to approximate the value functions and policies underlying a Markov Decision Process. Unfortunately, DNN-based RL suffers from a lack of explainability of the resulting…

Systems and Control · Electrical Eng. & Systems 2022-05-19 Shambhuraj Sawant , Sebastien Gros

Molecular property prediction is of crucial importance in many disciplines such as drug discovery, molecular biology, or material and process design. The frequently employed quantitative structure-property/activity relationships…

Biomolecules · Quantitative Biology 2024-01-17 Jan G. Rittig , Qinghe Gao , Manuel Dahmen , Alexander Mitsos , Artur M. Schweidtmann

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…

Systems and Control · Electrical Eng. & Systems 2024-11-12 Thuan Pham , Xingpeng Li

Graph Neural Networks (GNN) have recently gained popularity in the forecasting domain due to their ability to model complex spatial and temporal patterns in tasks such as traffic forecasting and region-based demand forecasting. Most of…

Machine Learning · Computer Science 2023-12-08 Abishek Sriramulu , Nicolas Fourrier , Christoph Bergmeir

Physics-based deep learning frameworks have shown to be effective in accurately modeling the dynamics of complex physical systems with generalization capability across problem inputs. However, time-independent problems pose the challenge of…

Machine Learning · Computer Science 2023-03-29 Rini Jasmine Gladstone , Helia Rahmani , Vishvas Suryakumar , Hadi Meidani , Marta D'Elia , Ahmad Zareei

Cold-start problem is a fundamental challenge for recommendation tasks. Despite the recent advances on Graph Neural Networks (GNNs) incorporate the high-order collaborative signal to alleviate the problem, the embeddings of the cold-start…

Information Retrieval · Computer Science 2020-12-15 Bowen Hao , Jing Zhang , Hongzhi Yin , Cuiping Li , Hong Chen

As the computational footprint of modern NLP systems grows, it becomes increasingly important to arrive at more efficient models. We show that by employing graph convolutional document representation, we can arrive at a question answering…

Computation and Language · Computer Science 2021-06-03 Louis Castricato , Stephen Fitz , Won Young Shin

Resource allocation problems are often approached with linear programming techniques. But many concrete allocation problems in the experimental and observational sciences cannot or should not be expressed in the form of linear objective…

Instrumentation and Methods for Astrophysics · Physics 2021-10-01 Tianshu Wang , Peter Melchior

Graph Neural Networks (GNNs), a generalization of deep neural networks on graph data have been widely used in various domains, ranging from drug discovery to recommender systems. However, GNNs on such applications are limited when there are…

Machine Learning · Computer Science 2021-11-09 Debmalya Mandal , Sourav Medya , Brian Uzzi , Charu Aggarwal

Differentiable solvers for the linear assignment problem (LAP) have attracted much research attention in recent years, which are usually embedded into learning frameworks as components. However, previous algorithms, with or without learning…

Machine Learning · Computer Science 2022-01-07 He Liu , Tao Wang , Congyan Lang , Songhe Feng , Yi Jin , Yidong Li

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…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-11-01 Liekang Zeng , Chongyu Yang , Peng Huang , Zhi Zhou , Shuai Yu , Xu Chen

Graph Neural Networks (GNNs) are a powerful representational tool for solving problems on graph-structured inputs. In almost all cases so far, however, they have been applied to directly recovering a final solution from raw inputs, without…

Machine Learning · Statistics 2020-01-16 Petar Veličković , Rex Ying , Matilde Padovano , Raia Hadsell , Charles Blundell

Quadratic programs (QPs) arise in various domains such as machine learning, finance, and control. Recently, learning-enhanced primal-dual hybrid gradient (PDHG) methods have shown great potential in addressing large-scale linear programs;…

Optimization and Control · Mathematics 2024-12-03 Linxin Yang , Bingheng Li , Tian Ding , Jianghua Wu , Akang Wang , Yuyi Wang , Jiliang Tang , Ruoyu Sun , Xiaodong Luo

In this paper, we investigate the feasibility of learning GNN (Graph Neural Network) based solvers and GNN-based heuristics for specified QBF (Quantified Boolean Formula) problems. We design and evaluate several GNN architectures for 2QBF…

Artificial Intelligence · Computer Science 2019-04-30 Zhanfu Yang , Fei Wang , Ziliang Chen , Guannan Wei , Tiark Rompf

Graph Neural Networks (GNN) is an emerging field for learning on non-Euclidean data. Recently, there has been increased interest in designing GNN that scales to large graphs. Most existing methods use "graph sampling" or "layer-wise…

Machine Learning · Computer Science 2021-09-03 Ming Chen , Zhewei Wei , Bolin Ding , Yaliang Li , Ye Yuan , Xiaoyong Du , Ji-Rong Wen