graph neural network

图神经网络
  • 文章类型: Review
    非编码RNA(ncRNAs)在许多人类疾病的发生和发展中起着至关重要的作用。因此,近年来,研究ncRNAs与疾病之间的关联引起了研究者的极大关注。已经提出了各种计算方法来探索ncRNA与疾病的关系,图神经网络(GNN)成为ncRNA-疾病关联预测的最新方法。在这次调查中,我们对基于GNN的ncRNA-疾病关联模型进行了全面综述.首先,我们提供了对ncRNAs和GNNs的详细介绍。接下来,我们深入研究了采用GNN预测ncRNA-疾病关联背后的动机,专注于数据结构,图和稀疏监督信号中的高阶连通性。随后,我们分析了使用GNN预测ncRNA-疾病关联的挑战,覆盖图构造,特征传播和聚合,和模型优化。然后,我们在ncRNA-疾病关联的背景下,对现有的基于GNN的模型进行了详细的总结和性能评估。最后,我们在这个快速发展的领域探索潜在的未来研究方向。这项调查对于有兴趣利用GNN来揭示ncRNAs与疾病之间的复杂关系的研究人员来说是一个宝贵的资源。
    Non-coding RNAs (ncRNAs) play a critical role in the occurrence and development of numerous human diseases. Consequently, studying the associations between ncRNAs and diseases has garnered significant attention from researchers in recent years. Various computational methods have been proposed to explore ncRNA-disease relationships, with Graph Neural Network (GNN) emerging as a state-of-the-art approach for ncRNA-disease association prediction. In this survey, we present a comprehensive review of GNN-based models for ncRNA-disease associations. Firstly, we provide a detailed introduction to ncRNAs and GNNs. Next, we delve into the motivations behind adopting GNNs for predicting ncRNA-disease associations, focusing on data structure, high-order connectivity in graphs and sparse supervision signals. Subsequently, we analyze the challenges associated with using GNNs in predicting ncRNA-disease associations, covering graph construction, feature propagation and aggregation, and model optimization. We then present a detailed summary and performance evaluation of existing GNN-based models in the context of ncRNA-disease associations. Lastly, we explore potential future research directions in this rapidly evolving field. This survey serves as a valuable resource for researchers interested in leveraging GNNs to uncover the complex relationships between ncRNAs and diseases.
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  • 文章类型: Journal Article
    神经系统疾病(ND),如老年痴呆症,已经威胁到全世界的人类健康。结合人工智能技术和脑成像技术对诊断ND具有重要意义。图神经网络(GNN)可以对大脑进行建模和分析,从形态学成像,解剖结构,功能特征,和其他方面,从而成为诊断ND的最佳深度学习模型之一。一些研究人员研究了GNN在医学领域的应用,但是范围很广,其在ND中的应用不太频繁,也不够详细。本文就GNNs在ND诊断中的研究进展作一综述。首先,我们系统地研究了ND的GNN框架,包括图形构造,图卷积,图池化,和图形预测。其次,我们使用GNN诊断模型从数据模态的角度研究了常见的ND,科目数,和诊断的准确性。第三,我们讨论了一些研究挑战和未来的研究方向。这篇综述的结果可能对人工智能技术和脑成像的持续交叉做出有价值的贡献。
    Neurological disorders (NDs), such as Alzheimer\'s disease, have been a threat to human health all over the world. It is of great importance to diagnose ND through combining artificial intelligence technology and brain imaging. A graph neural network (GNN) can model and analyze the brain, imaging from morphology, anatomical structure, function features, and other aspects, thus becoming one of the best deep learning models in the diagnosis of ND. Some researchers have investigated the application of GNN in the medical field, but the scope is broad, and its application to NDs is less frequent and not detailed enough. This review focuses on the research progress of GNNs in the diagnosis of ND. Firstly, we systematically investigated the GNN framework of ND, including graph construction, graph convolution, graph pooling, and graph prediction. Secondly, we investigated common NDs using the GNN diagnostic model in terms of data modality, number of subjects, and diagnostic accuracy. Thirdly, we discussed some research challenges and future research directions. The results of this review may be a valuable contribution to the ongoing intersection of artificial intelligence technology and brain imaging.
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  • 文章类型: Journal Article
    病理检查是诊断癌症的最佳方法,随着数字成像技术的进步,它刺激了计算组织病理学的出现。计算组织病理学的目的是通过图像处理和分析技术来协助临床任务。在早期阶段,该技术涉及通过提取数学特征来分析组织病理学图像,但是这些模型的性能并不令人满意。随着人工智能(AI)技术的发展,传统的机器学习方法应用于该领域。尽管模型的性能有所改善,存在诸如模型泛化差和繁琐的手动特征提取之类的问题。随后,深度学习技术的引入有效地解决了这些问题。然而,基于传统卷积架构的模型无法充分捕获组织病理学图像中的上下文信息和深层生物学特征。由于图的特殊结构,它们非常适合组织病理学图像中的特征提取,并且在许多研究中取得了有希望的性能。在这篇文章中,我们回顾了计算组织病理学中现有的基于图的方法,并提出了一种新颖且更全面的图构造方法。此外,我们根据不同的学习范式对计算组织病理学中的方法和技术进行分类。我们总结了基于图形的方法在计算组织病理学中的常见临床应用。此外,我们讨论了该领域的核心概念,并强调了当前的挑战和未来的研究方向。
    Pathological examination is the optimal approach for diagnosing cancer, and with the advancement of digital imaging technologies, it has spurred the emergence of computational histopathology. The objective of computational histopathology is to assist in clinical tasks through image processing and analysis techniques. In the early stages, the technique involved analyzing histopathology images by extracting mathematical features, but the performance of these models was unsatisfactory. With the development of artificial intelligence (AI) technologies, traditional machine learning methods were applied in this field. Although the performance of the models improved, there were issues such as poor model generalization and tedious manual feature extraction. Subsequently, the introduction of deep learning techniques effectively addressed these problems. However, models based on traditional convolutional architectures could not adequately capture the contextual information and deep biological features in histopathology images. Due to the special structure of graphs, they are highly suitable for feature extraction in tissue histopathology images and have achieved promising performance in numerous studies. In this article, we review existing graph-based methods in computational histopathology and propose a novel and more comprehensive graph construction approach. Additionally, we categorize the methods and techniques in computational histopathology according to different learning paradigms. We summarize the common clinical applications of graph-based methods in computational histopathology. Furthermore, we discuss the core concepts in this field and highlight the current challenges and future research directions.
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  • 文章类型: Journal Article
    推荐系统中的现有作品已经广泛探索提取评论作为用户项目交互之外的解释,并将解释生成制定为排名任务,以提高项目推荐性能。要将说明与用户和项目关联,图神经网络(GNN)通常用于学习异构用户-项目-解释交互图上的节点表示。然而,建模异构图卷积在消息传递风格和计算效率方面都存在限制,导致次优的推荐性能。为了解决这些限制,我们提出了一种解释感知图卷积网络(ExpGCN)。特别是,关于ExpGCN中的边类型,异构交互图被划分为子图。通过聚集来自不同子图的信息,ExpGCN能够分别为说明排序任务和项目推荐任务生成节点表示。面向任务的图卷积不仅可以降低异构节点聚合的复杂度,同时也缓解了任务学习目标之间的冲突导致的绩效退化,这在当前的研究中被忽略。在四个公共数据集上的大量实验表明,ExpGCN以高效率显著优于最先进的基线,证明ExpGCN在可解释建议中的有效性。
    Existing works in recommender system have widely explored extracting reviews as explanations beyond user-item interactions, and formulated the explanation generation as a ranking task to enhance item recommendation performance. To associate explanations with users and items, graph neural networks (GNN) are usually employed to learn node representations on the heterogeneous user-item-explanation interaction graph. However, modeling heterogeneous graph convolution poses limitations in both message passing styles and computational efficiency, resulting in sub-optimal recommendation performance. To address the limitations, we propose an Explanation-aware Graph Convolution Network (ExpGCN). In particular, the heterogeneous interaction graph is divided to subgraphs regard to the edge types in ExpGCN. By aggregating information from distinct subgraphs, ExpGCN is capable of generating node representations for explanation ranking task and item recommendation task respectively. Task-oriented graph convolution can not only reduce the complexity of heterogeneous node aggregation, but also alleviate the performance degeneration caused by the conflicts between task learning objectives, which has been neglected in current studies. Extensive experiments on four public datasets show that ExpGCN significantly outperforms state-of-the-art baselines with high efficiency, demonstrating the effectiveness of ExpGCN in explainable recommendations.
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  • 文章类型: Journal Article
    溶液状态NMR参数的计算,包括化学位移值和标量耦合常数,通常是明确结构分配的关键步骤。数据驱动(有时称为经验)方法利用已知参数值的数据库来估计未知或新颖分子的参数。这与流行的从头算技术形成对比,后者使用详细的量子计算化学计算来得出参数估计。数据驱动的方法有可能比abinito技术快得多,并且在过去十年中随着高质量的NMR参数数据库和新颖的机器学习方法的兴起而重新引起了人们的兴趣。这里,我们回顾了这些方法,他们的优势和陷阱,以及它们所建立的数据库。
    Calculation of solution-state NMR parameters, including chemical shift values and scalar coupling constants, is often a crucial step for unambiguous structure assignment. Data-driven (sometimes called empirical) methods leverage databases of known parameter values to estimate parameters for unknown or novel molecules. This is in contrast to popular ab initio techniques that use detailed quantum computational chemistry calculations to arrive at parameter estimates. Data-driven methods have the potential to be considerably faster than ab inito techniques and have been the subject of renewed interest over the past decade with the rise of high-quality databases of NMR parameters and novel machine learning methods. Here, we review these methods, their strengths and pitfalls, and the databases they are built on.
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