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The reconstruction of 3D microstructures from 2D slices is considered to hold significant value in predicting the spatial structure and physical properties of materials.The dimensional extension from 2D to 3D is viewed as a highly…

Machine Learning · Computer Science 2024-02-27 Yilin Zheng , Zhigong Song

Entity alignment typically suffers from the issues of structural heterogeneity and limited seed alignments. In this paper, we propose a novel Multi-channel Graph Neural Network model (MuGNN) to learn alignment-oriented knowledge graph (KG)…

Computation and Language · Computer Science 2019-08-28 Yixin Cao , Zhiyuan Liu , Chengjiang Li , Zhiyuan Liu , Juanzi Li , Tat-Seng Chua

Machine learning (ML) methods have gained increasing popularity in exploring and developing new materials. More specifically, graph neural network (GNN) has been applied in predicting material properties. In this work, we develop a novel…

Computational Physics · Physics 2020-08-18 Steph-Yves Louis , Yong Zhao , Alireza Nasiri , Xiran Wong , Yuqi Song , Fei Liu , Jianjun Hu

Shape deviation modeling and compensation in additive manufacturing are pivotal for achieving high geometric accuracy and enabling industrial-scale production. Critical challenges persist, including generalizability across complex…

Computer Vision and Pattern Recognition · Computer Science 2025-12-22 Juheon Lee , Lei , Chen , Juan Carlos Catana , Hui Wang , Jun Zeng

Recently, Graph Convolutional Networks (GCNs) have proven to be a powerful mean for Computer Aided Diagnosis (CADx). This approach requires building a population graph to aggregate structural information, where the graph adjacency matrix…

Artificial Intelligence · Computer Science 2021-06-17 Hao Chen , Fuzhen Zhuang , Li Xiao , Ling Ma , Haiyan Liu , Ruifang Zhang , Huiqin Jiang , Qing He

We apply a temporal edge prediction model for weighted dynamic graphs to predict time-dependent changes in molecular structure. Each molecule is represented as a complete graph in which each atom is a vertex and all vertex pairs are…

Machine Learning · Computer Science 2021-06-28 Michael Hunter Ashby , Jenna A. Bilbrey

Geometric graph neural networks (GNNs) have emerged as powerful tools for modeling molecular geometry. However, they encounter limitations in effectively capturing long-range interactions in large molecular systems. To address this…

Machine Learning · Computer Science 2024-09-27 Yusong Wang , Chaoran Cheng , Shaoning Li , Yuxuan Ren , Bin Shao , Ge Liu , Pheng-Ann Heng , Nanning Zheng

Geometric deep learning provides a principled and versatile manner for the integration of imaging and non-imaging modalities in the medical domain. Graph Convolutional Networks (GCNs) in particular have been explored on a wide variety of…

We propose R3GS, a robust reconstruction and relocalization framework tailored for unconstrained datasets. Our method uses a hybrid representation during training. Each anchor combines a global feature from a convolutional neural network…

Computer Vision and Pattern Recognition · Computer Science 2025-05-22 Xu yan , Zhaohui Wang , Rong Wei , Jingbo Yu , Dong Li , Xiangde Liu

Predicting interactions between structured entities lies at the core of numerous tasks such as drug regimen and new material design. In recent years, graph neural networks have become attractive. They represent structured entities as graphs…

Machine Learning · Computer Science 2020-04-21 Nuo Xu , Pinghui Wang , Long Chen , Jing Tao , Junzhou Zhao

This study delves into the application of graph neural networks in the realm of traffic forecasting, a crucial facet of intelligent transportation systems. Accurate traffic predictions are vital for functions like trip planning, traffic…

Machine Learning · Computer Science 2023-10-30 Razib Hayat Khan , Jonayet Miah , S M Yasir Arafat , M M Mahbubul Syeed , Duc M Ca

Lattice metamaterials enable lightweight, multifunctional structures, yet homogenization-based evaluation of their effective properties remains computationally expensive. Neural surrogates offer speed but often lack the accuracy and…

Graphics · Computer Science 2026-04-30 Yu Xing , Yang Liu , Tianyang Xue , Lin Lu

This work presents the introduction of UniSG^GA, a novel integrated scenegraph structure, that to incorporates behavior and geometry data on a 3D scene. It is specifically designed to seamlessly integrate Graph Neural Networks (GNNs) and…

Heterogeneous molecular entities and their interactions, commonly depicted as a network, are crucial for advancing our systems-level understanding of biology. With recent advancements in high-throughput data generation and a significant…

Quantitative Methods · Quantitative Biology 2026-03-18 Kishan KC , Rui Li , Paribesh Regmi , Anne R. Haake

Graph Neural Networks (GNNs) have demonstrated impressive capabilities in modeling graph-structured data, while Spiking Neural Networks (SNNs) offer high energy efficiency through sparse, event-driven computation. However, existing spiking…

Neural and Evolutionary Computing · Computer Science 2025-08-26 Bowen Zhang , Genan Dai , Hu Huang , Long Lan

This study explores the potential of graph neural networks (GNNs) to enhance semantic segmentation across diverse image modalities. We evaluate the effectiveness of a novel GNN-based U-Net architecture on three distinct datasets: PascalVOC,…

Computer Vision and Pattern Recognition · Computer Science 2025-01-22 Aryan Singh , Pepijn Van de Ven , Ciarán Eising , Patrick Denny

Graph Neural Networks (GNNs) have demonstrated impressive performance across diverse graph-based tasks by leveraging message passing to capture complex node relationships. However, on large-scale real-world graphs, GNNs face two major…

Machine Learning · Computer Science 2026-03-10 Xiang Li , Jianpeng Qi , Haobing Liu , Yuan Cao , Guoqing Chao , Zhongying Zhao , Junyu Dong , Xinwang Liu , Yanwei Yu

Driven by the outstanding performance of neural networks in the structured Euclidean domain, recent years have seen a surge of interest in developing neural networks for graphs and data supported on graphs. The graph is leveraged at each…

Machine Learning · Computer Science 2021-07-28 Elvin Isufi , Fernando Gama , Alejandro Ribeiro

Scattering networks are a class of designed Convolutional Neural Networks (CNNs) with fixed weights. We argue they can serve as generic representations for modelling images. In particular, by working in scattering space, we achieve…

Graphs are ubiquitous in social networks and biochemistry, where Graph Neural Networks (GNN) are the state-of-the-art models for prediction. Graphs can be evolving and it is vital to formally model and understand how a trained GNN responds…

Machine Learning · Computer Science 2024-03-12 Yazheng Liu , Xi Zhang , Sihong Xie