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A generalizable normative deep autoencoder for brain morphological anomaly detection: application to the multi-site StratiBip dataset on bipolar disorder in an external validation framework 用于脑形态异常检测的可推广规范深度自编码器:在外部验证框架中应用于双相情感障碍的多站点StratiBip数据集。
IF 6.1 2区 医学 Q1 COMPUTER SCIENCE, ARTIFICIAL INTELLIGENCE Pub Date : 2025-01-02 DOI: 10.1016/j.artmed.2024.103063
Inês Won Sampaio , Emma Tassi , Marcella Bellani , Francesco Benedetti , Igor Nenadić , Mary L. Phillips , Fabrizio Piras , Lakshmi Yatham , Anna Maria Bianchi , Paolo Brambilla , Eleonora Maggioni
The heterogeneity of psychiatric disorders makes researching disorder-specific neurobiological markers an ill-posed problem. Here, we face the need for disease stratification models by presenting a generalizable multivariate normative modelling framework for characterizing brain morphology, applied to bipolar disorder (BD). We used deep autoencoders in an anomaly detection framework, combined for the first time with a confounder removal step that integrates training and external validation.
The model was trained with healthy control (HC) data from the human connectome project and applied to multi-site external data of HC and BD individuals. We found that brain deviating scores were greater, more heterogeneous, and with increased extreme values in the BD group, with volumes prominently from the basal ganglia, hippocampus, and adjacent regions emerging as significantly deviating. Similarly, individual brain deviating maps based on modified z scores expressed higher abnormalities occurrences, but their overall spatial overlap was lower compared to HCs.
Our generalizable framework enabled the identification of brain deviating patterns differing between the subject and the group levels, a step forward towards the development of more effective and personalized clinical decision support systems and patient stratification in psychiatry.
精神疾病的异质性使得研究疾病特异性神经生物学标记成为一个棘手的问题。在这里,我们面对疾病分层模型的需求,通过提出一个可推广的多变量规范建模框架来表征大脑形态,应用于双相情感障碍(BD)。我们在异常检测框架中使用了深度自动编码器,并首次结合了将训练和外部验证集成在一起的混杂因素去除步骤。该模型使用来自人类连接组项目的健康对照(HC)数据进行训练,并应用于HC和BD个体的多位点外部数据。我们发现,在双相障碍组中,脑偏离评分更大,更不均匀,极端值增加,基底节区、海马和邻近区域的体积显著偏离。同样,基于修改z分数的个体脑偏差图表达了更高的异常发生率,但与hc相比,它们的总体空间重叠更低。我们的可推广的框架能够识别不同主体和群体水平的大脑偏离模式,朝着发展更有效和个性化的临床决策支持系统和精神病学患者分层迈出了一步。
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引用次数: 0
Artificial intelligence-powered image analysis: A paradigm shift in infectious disease detection 人工智能驱动的图像分析:传染病检测模式的转变
IF 6.1 2区 医学 Q1 COMPUTER SCIENCE, ARTIFICIAL INTELLIGENCE Pub Date : 2024-11-23 DOI: 10.1016/j.artmed.2024.103025
Muhammad Ahsan, Robertas Damaševičius
The global burden of infectious diseases significantly affects mortality rates, with their varying symptoms making it challenging to assess and determine the severity of infections. Different countries face unique challenges related to these diseases. This study introduces innovative Artificial Intelligence (AI) based methodologies to enhance diagnostic accuracy through the analysis of medical imagery. It achieves this by developing a mathematical model capable of identifying potential infectious diseases from images, utilizing a Multi-Criteria Decision-Making (MCDM) framework. This cutting-edge approach combines Hypersoft Set (HSS) within a fuzzy context, pioneering in AI-driven diagnostic processes. The decision-making process might suggest actions such as isolation, quarantine in either domestic settings or specialized facilities, or admission to a hospital for further treatment. The use of visual aids in this research not only improves understanding but also highlights the effectiveness and significance of the proposed methods. The foundational theory and the results from this novel approach demonstrate its potential for widespread application in fields like machine learning, deep learning, and pattern recognition, indicating a significant stride in the fight against infectious diseases through advanced diagnostic techniques.
传染病给全球造成的负担极大地影响了死亡率,其症状各不相同,给评估和确定感染的严重程度带来了挑战。不同国家面临着与这些疾病相关的独特挑战。本研究引入了基于人工智能(AI)的创新方法,通过分析医学图像提高诊断准确性。为此,它利用多标准决策(MCDM)框架,开发了一种能够从图像中识别潜在传染性疾病的数学模型。这种前沿方法将超软集(HSS)与模糊背景相结合,开创了人工智能驱动诊断流程的先河。决策过程可能会建议采取一些行动,如隔离、在家庭环境或专门设施中隔离,或入院接受进一步治疗。在这项研究中使用可视化辅助工具不仅能加深理解,还能突出所建议方法的有效性和意义。这种新方法的基础理论和结果证明了它在机器学习、深度学习和模式识别等领域的广泛应用潜力,表明通过先进的诊断技术在抗击传染病方面取得了重大进展。
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引用次数: 0
Electronic Health Records-based identification of newly diagnosed Crohn’s Disease cases 基于电子病历识别新诊断的克罗恩病病例
IF 6.1 2区 医学 Q1 COMPUTER SCIENCE, ARTIFICIAL INTELLIGENCE Pub Date : 2024-11-21 DOI: 10.1016/j.artmed.2024.103032
Susanne Ibing , Julian Hugo , Florian Borchert , Linea Schmidt , Caroline Benson , Allison A. Marshall , Colleen Chasteau , Ujunwa Korie , Diana Paguay , Jan Philipp Sachs , Bernhard Y. Renard , Judy H. Cho , Erwin P. Böttinger , Ryan C. Ungaro

Background:

Early diagnosis and treatment of Crohn’s Disease are associated with decreased risk of surgery and complications. However, diagnostic delay is frequently seen in clinical practice. To better understand Crohn’s Disease risk factors and disease indicators, we identified, described, and predicted incident Crohn’s Disease patients based on the Electronic Health Record data of the Mount Sinai Health System.

Methods:

We developed two phenotyping algorithms based on structured Electronic Health Record data (i.e., coded diagnosis, medication prescription, and healthcare utilization), and a more simple and advanced approach of information extraction from clinical notes, including data between 2011 and 2023. We conducted an ablation study for the classification task using different models, prediction time points, data inputs, text encoding methods, and case-control matching variables.

Results:

We identified 247 incident Crohn’s Disease cases and 1221 matched controls and validated our cohorts through manual chart review. A second control cohort (n = 1235) was created without matching on race. Gastrointestinal symptoms were significantly overrepresented in cases at least 180 days before the first coded Crohn’s Disease diagnosis. Adding text-based features to the clinical prediction models increased their overall performances. However, adding race as a matching variable had more effects on the model performance than the choice of modeling algorithm or input data, with an area under the receiver operating characteristic difference of 0.09 between the best-performing models.

Conclusion:

We demonstrate the feasibility of identifying newly diagnosed Crohn’s Disease patients within a United States health system using Electronic Health Records. For the predictive modeling task, cases and controls were distinguished only with modest performance, even though various state-of-the-art methods were applied based on features from structured and unstructured data. Our findings suggest the benefit of adding information from clinical notes in a supervised or unsupervised manner for cohort creation and predictive modeling.
背景:克罗恩病的早期诊断和治疗可降低手术风险和并发症。然而,临床实践中却经常出现诊断延误的情况。为了更好地了解克罗恩病的风险因素和疾病指标,我们根据西奈山医疗系统的电子病历数据对克罗恩病患者进行了识别、描述和预测。方法:我们开发了两种基于结构化电子病历数据(即编码诊断、药物处方和医疗保健使用)的表型算法,以及一种从临床笔记(包括 2011 年至 2023 年的数据)中提取信息的更简单、更先进的方法。我们使用不同的模型、预测时间点、数据输入、文本编码方法和病例对照匹配变量对分类任务进行了消融研究。结果:我们确定了 247 例克罗恩病病例和 1221 例匹配对照,并通过人工病历审查验证了我们的队列。第二个对照组(n = 1235)是在没有种族匹配的情况下建立的。在首次编码克罗恩病诊断前至少 180 天的病例中,胃肠道症状明显偏多。在临床预测模型中添加基于文本的特征可提高模型的整体性能。然而,与建模算法或输入数据的选择相比,添加种族作为匹配变量对模型性能的影响更大,表现最好的模型之间的接受者操作特征下面积差为 0.09。在预测建模任务中,尽管采用了基于结构化和非结构化数据特征的各种先进方法,但病例和对照组的区分效果一般。我们的研究结果表明,在队列创建和预测建模中,以监督或无监督的方式添加临床笔记中的信息是有益的。
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引用次数: 0
Minimal data poisoning attack in federated learning for medical image classification: An attacker perspective 医学图像分类联合学习中的最小数据中毒攻击:攻击者视角
IF 6.1 2区 医学 Q1 COMPUTER SCIENCE, ARTIFICIAL INTELLIGENCE Pub Date : 2024-11-21 DOI: 10.1016/j.artmed.2024.103024
K. Naveen Kumar , C. Krishna Mohan , Linga Reddy Cenkeramaddi , Navchetan Awasthi
The privacy-sensitive nature of medical image data is often bounded by strict data sharing regulations that necessitate the need for novel modeling and analysis techniques. Federated learning (FL) enables multiple medical institutions to collectively train a deep neural network without sharing sensitive patient information. In addition, FL uses its collaborative approach to address challenges related to the scarcity and non-uniform distribution of heterogeneous medical domain data. Nevertheless, the data-opaque nature and distributed setup make FL susceptible to data poisoning attacks. There are diverse FL data poisoning attacks for classification models on natural image data in the literature. But their primary focus is on the impact of the attack and they do not consider the attack budget and attack visibility. The attack budget is essential for adversaries to optimize resource utilization in real-world scenarios, which determines the number of manipulations or perturbations they can apply. Simultaneously, attack visibility is crucial to ensure covert execution, allowing attackers to achieve their objectives without triggering detection mechanisms. Generally, an attacker’s aim is to create maximum attack impact with minimal resources and low visibility. So, considering these three entities can effectively comprehend the adversary’s perspective in designing an attack for real-world scenarios. Further, data poisoning attacks on medical images are challenging compared to natural images due to the subjective nature of medical data. Hence, we develop an attack with a low budget, low visibility, and high impact for medical image classification in FL. We propose a federated learning attention guided minimal attack (FL-AGMA), that uses class attention maps to identify specific medical image regions for perturbation. We introduce image distortion degree (IDD) as a metric to assess the attack budget. Also, we develop a feedback mechanism to regulate the attack coefficient for low attack visibility. Later, we optimize the attack budget by adaptively changing the IDD based on attack visibility. We extensively evaluate three large-scale datasets, namely, Covid-chestxray, Camelyon17, and HAM10000, covering three different data modalities. We observe that our FL-AGMA method has resulted in 44.49% less test accuracy with only 24% of IDD attack budget and lower attack visibility compared to the other attacks.
医疗图像数据的隐私敏感性往往受到严格的数据共享法规的限制,因此需要新颖的建模和分析技术。联合学习(FL)使多个医疗机构能够共同训练一个深度神经网络,而无需共享敏感的患者信息。此外,FL 利用其协作方法解决了与异构医疗领域数据稀缺和分布不均有关的挑战。然而,数据不透明的性质和分布式设置使 FL 容易受到数据中毒攻击。文献中有多种针对自然图像数据分类模型的 FL 数据中毒攻击。但它们主要关注的是攻击的影响,而没有考虑攻击预算和攻击可见性。攻击预算对于对手在真实世界场景中优化资源利用率至关重要,它决定了对手可以使用的操作或扰动的数量。同时,攻击可见性对于确保隐蔽执行至关重要,它允许攻击者在不触发检测机制的情况下实现目标。一般来说,攻击者的目的是以最少的资源和较低的可见度产生最大的攻击影响。因此,考虑到这三个实体,可以有效地理解对手在设计真实世界场景攻击时的视角。此外,由于医学数据的主观性,对医学图像的数据中毒攻击与自然图像相比具有挑战性。因此,我们针对 FL 中的医学图像分类开发了一种预算低、能见度低、影响大的攻击。我们提出了一种联合学习注意力引导的最小攻击(FL-AGMA),它使用类注意力图来识别特定的医学图像区域进行扰动。我们引入了图像失真度(IDD)作为评估攻击预算的指标。此外,我们还开发了一种反馈机制,用于调节低攻击可见性的攻击系数。随后,我们根据攻击可见度自适应地改变 IDD,从而优化攻击预算。我们广泛评估了三个大型数据集,即 Covid-chestxray、Camelyon17 和 HAM10000,涵盖三种不同的数据模式。我们发现,与其他攻击相比,我们的 FL-AGMA 方法只需 24% 的 IDD 攻击预算和较低的攻击可见性,就能使测试准确率降低 44.49%。
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引用次数: 0
Interpretable machine learning for time-to-event prediction in medicine and healthcare 可解释的机器学习,用于医学和医疗保健领域的时间到事件预测。
IF 6.1 2区 医学 Q1 COMPUTER SCIENCE, ARTIFICIAL INTELLIGENCE Pub Date : 2024-11-21 DOI: 10.1016/j.artmed.2024.103026
Hubert Baniecki , Bartlomiej Sobieski , Patryk Szatkowski , Przemyslaw Bombinski , Przemyslaw Biecek
Time-to-event prediction, e.g. cancer survival analysis or hospital length of stay, is a highly prominent machine learning task in medical and healthcare applications. However, only a few interpretable machine learning methods comply with its challenges. To facilitate a comprehensive explanatory analysis of survival models, we formally introduce time-dependent feature effects and global feature importance explanations. We show how post-hoc interpretation methods allow for finding biases in AI systems predicting length of stay using a novel multi-modal dataset created from 1235 X-ray images with textual radiology reports annotated by human experts. Moreover, we evaluate cancer survival models beyond predictive performance to include the importance of multi-omics feature groups based on a large-scale benchmark comprising 11 datasets from The Cancer Genome Atlas (TCGA). Model developers can use the proposed methods to debug and improve machine learning algorithms, while physicians can discover disease biomarkers and assess their significance. We contribute open data and code resources to facilitate future work in the emerging research direction of explainable survival analysis.
时间到事件预测,例如癌症存活率分析或住院时间预测,是医疗保健应用中一项非常突出的机器学习任务。然而,只有少数可解释的机器学习方法能应对其挑战。为了促进生存模型的综合解释分析,我们正式引入了时间依赖特征效应和全局特征重要性解释。我们展示了如何利用事后解释方法发现人工智能系统在预测住院时间方面存在的偏差,该方法使用了一个新颖的多模态数据集,该数据集由 1235 张 X 光图像和人类专家注释的文本放射学报告创建而成。此外,我们对癌症生存模型进行了评估,除了预测性能外,还包括基于癌症基因组图谱(TCGA)11 个数据集的大规模基准的多组学特征组的重要性。模型开发人员可以利用提出的方法调试和改进机器学习算法,而医生则可以发现疾病生物标志物并评估其重要性。我们提供开放的数据和代码资源,以促进可解释生存分析这一新兴研究方向的未来工作。
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引用次数: 0
Generating synthetic clinical text with local large language models to identify misdiagnosed limb fractures in radiology reports 利用本地大型语言模型生成合成临床文本,识别放射学报告中的误诊肢体骨折
IF 6.1 2区 医学 Q1 COMPUTER SCIENCE, ARTIFICIAL INTELLIGENCE Pub Date : 2024-11-20 DOI: 10.1016/j.artmed.2024.103027
Jinghui Liu , Bevan Koopman , Nathan J. Brown , Kevin Chu , Anthony Nguyen
Large language models (LLMs) demonstrate impressive capabilities in generating human-like content and have much potential to improve the performance and efficiency of healthcare. An important application of LLMs is to generate synthetic clinical reports that could alleviate the burden of annotating and collecting real-world data in training AI models. Meanwhile, there could be concerns and limitations in using commercial LLMs to handle sensitive clinical data. In this study, we examined the use of open-source LLMs as an alternative to generate synthetic radiology reports to supplement real-world annotated data. We found LLMs hosted locally can achieve similar performance compared to ChatGPT and GPT-4 in augmenting training data for the downstream report classification task of identifying misdiagnosed fractures. We also examined the predictive value of using synthetic reports alone for training downstream models, where our best setting achieved more than 90 % of the performance using real-world data. Overall, our findings show that open-source, local LLMs can be a favourable option for creating synthetic clinical reports for downstream tasks.
大型语言模型(LLMs)在生成类人内容方面表现出令人印象深刻的能力,在提高医疗保健的性能和效率方面潜力巨大。大型语言模型的一个重要应用是生成合成临床报告,从而减轻在训练人工智能模型时注释和收集真实世界数据的负担。与此同时,使用商业 LLM 处理敏感临床数据可能存在一些顾虑和限制。在本研究中,我们研究了使用开源 LLM 作为生成合成放射学报告的替代方法,以补充真实世界的注释数据。我们发现,与 ChatGPT 和 GPT-4 相比,本地托管的 LLM 在为识别误诊骨折的下游报告分类任务增加训练数据方面能达到类似的性能。我们还考察了仅使用合成报告训练下游模型的预测价值,我们的最佳设置达到了使用真实世界数据时 90% 以上的性能。总之,我们的研究结果表明,开源本地 LLM 是为下游任务创建合成临床报告的有利选择。
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引用次数: 0
A Multi-task learning U-Net model for end-to-end HEp-2 cell image analysis 端到端HEp-2细胞图像分析的多任务学习U-Net模型
IF 6.1 2区 医学 Q1 COMPUTER SCIENCE, ARTIFICIAL INTELLIGENCE Pub Date : 2024-11-20 DOI: 10.1016/j.artmed.2024.103031
Gennaro Percannella, Umberto Petruzzello, Francesco Tortorella, Mario Vento
Antinuclear Antibody (ANA) testing is pivotal to help diagnose patients with a suspected autoimmune disease. The Indirect Immunofluorescence (IIF) microscopy performed with human epithelial type 2 (HEp-2) cells as the substrate is the reference method for ANA screening. It allows for the detection of antibodies binding to specific intracellular targets, resulting in various staining patterns that should be identified for diagnosis purposes. In recent years, there has been an increasing interest in devising deep learning methods for automated cell segmentation and classification of staining patterns, as well as for other tasks related to this diagnostic technique (such as intensity classification). However, little attention has been devoted to architectures aimed at simultaneously managing multiple interrelated tasks, via a shared representation.
In this paper, we propose a deep neural network model that extends U-Net in a Multi-Task Learning (MTL) fashion, thus offering an end-to-end approach to tackle three fundamental tasks of the diagnostic procedure, i.e., HEp-2 cell specimen intensity classification, specimen segmentation, and pattern classification. The experiments were conducted on one of the largest publicly available datasets of HEp-2 images. The results showed that the proposed approach significantly outperformed the competing state-of-the-art methods for all the considered tasks.
抗核抗体(ANA)检测是帮助诊断疑似自身免疫性疾病患者的关键。以人上皮2型(HEp-2)细胞为底物的间接免疫荧光(IIF)显微镜是ANA筛选的参考方法。它允许检测与特定细胞内靶标结合的抗体,从而产生用于诊断目的应识别的各种染色模式。近年来,人们对设计用于自动细胞分割和染色模式分类的深度学习方法以及与该诊断技术相关的其他任务(如强度分类)越来越感兴趣。然而,很少有人关注旨在通过共享表示同时管理多个相互关联的任务的体系结构。在本文中,我们提出了一个以多任务学习(MTL)方式扩展U-Net的深度神经网络模型,从而提供了一个端到端的方法来解决诊断过程中的三个基本任务,即HEp-2细胞样本强度分类、样本分割和模式分类。实验是在最大的HEp-2图像公开数据集之一上进行的。结果表明,所提出的方法在所有考虑的任务中都明显优于竞争的最先进的方法。
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引用次数: 0
EDDINet: Enhancing drug–drug interaction prediction via information flow and consensus constrained multi-graph contrastive learning EDDINet:通过信息流和共识约束多图对比学习加强药物相互作用预测
IF 6.1 2区 医学 Q1 COMPUTER SCIENCE, ARTIFICIAL INTELLIGENCE Pub Date : 2024-11-20 DOI: 10.1016/j.artmed.2024.103029
Hong Wang , Luhe Zhuang , Yijie Ding , Prayag Tiwari , Cheng Liang
Predicting drug–drug interactions (DDIs) is crucial for understanding and preventing adverse drug reactions (ADRs). However, most existing methods inadequately explore the interactive information between drugs in a self-supervised manner, limiting our comprehension of drug–drug associations. This paper introduces EDDINet: Enhancing Drug-Drug Interaction Prediction via Information Flow and Consensus-Constrained Multi-Graph Contrastive Learning for precise DDI prediction. We first present a cross-modal information-flow mechanism to integrate diverse drug features, enriching the structural insights conveyed by the drug feature vector. Next, we employ contrastive learning to filter various biological networks, enhancing the model’s robustness. Additionally, we propose a consensus regularization framework that collaboratively trains multi-view models, producing high-quality drug representations. To unify drug representations derived from different biological information, we utilize an attention mechanism for DDI prediction. Extensive experiments demonstrate that EDDINet surpasses state-of-the-art unsupervised models and outperforms some supervised baseline models in DDI prediction tasks. Our approach shows significant advantages and holds promising potential for advancing DDI research and improving drug safety assessments. Our codes are available at: https://github.com/95LY/EDDINet_code.
预测药物间相互作用(DDI)对于了解和预防药物不良反应(ADR)至关重要。然而,大多数现有方法都没有以自我监督的方式充分探索药物之间的交互信息,从而限制了我们对药物关联的理解。本文介绍了 EDDINet:EDDINet: Enhancing Drug-Drug Interaction Prediction via Information Flow and Consensus-Constrained Multi-Graph Contrastive Learning(通过信息流和共识约束多图对比学习增强药物间相互作用预测),用于精确的 DDI 预测。我们首先提出了一种跨模态信息流机制,用于整合不同的药物特征,丰富药物特征向量所传达的结构洞察力。接下来,我们利用对比学习过滤各种生物网络,增强了模型的鲁棒性。此外,我们还提出了一种共识正则化框架,可协同训练多视角模型,从而生成高质量的药物表征。为了统一来自不同生物信息的药物表征,我们利用注意力机制进行 DDI 预测。广泛的实验证明,EDDINet 在 DDI 预测任务中超越了最先进的无监督模型,并优于一些有监督基线模型。我们的方法显示出显著的优势,在推进 DDI 研究和改进药物安全性评估方面具有广阔的前景。我们的代码可在以下网址获取:https://github.com/95LY/EDDINet_code。
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引用次数: 0
GAPPA: Enhancing prognosis prediction in primary aldosteronism post-adrenalectomy using graph-based modeling GAPPA:利用基于图形的建模方法加强肾上腺切除术后原发性醛固酮增多症的预后预测。
IF 6.1 2区 医学 Q1 COMPUTER SCIENCE, ARTIFICIAL INTELLIGENCE Pub Date : 2024-11-18 DOI: 10.1016/j.artmed.2024.103028
Pei-Yan Li , Yu-Wen Huang , Vin-Cent Wu , Jeff S. Chueh , Chi-Shin Tseng , Chung-Ming Chen

Background and objective

Predicting postoperative prognosis is vital for clinical decision making in patients undergoing adrenalectomy (ADX). This study introduced GAPPA, a novel GNN-based approach, to predict post-ADX outcomes in patients with unilateral primary aldosteronism (UPA). The objective was to leverage the intricate dependencies between clinico-biochemical features and clinical outcomes using GNNs integrated into a bipartite graph structure to enhance prognostic prediction accuracy.

Methods

We conceptualized prognostic prediction as a link prediction task on a bipartite graph, with nodes representing patients, clinico-biochemical features, and clinical outcomes, and edges denoting the connections between them. GAPPA utilizes GNNs to capture these dependencies and seamlessly integrates the outcome predictions into a graph structure. This approach was evaluated using a dataset of 640 patients with UPA who underwent unilateral ADX (uADX) between 1990 and 2022. We conducted a comparative analysis using repeated stratified five-fold cross-validation and paired t-tests to evaluate the performance of GAPPA against conventional machine learning methods and previous studies across various metrics.

Results

GAPPA significantly outperformed conventional machine learning methods and previous studies (p < 0.05) across various metrics. It achieved F1-score, accuracy, sensitivity, and specificity of 71.3 % ± 3.1 %, 71.1 % ± 3.4 %, 69.9 % ± 4.3 %, and 72.4 % ± 7.2 %, respectively, with an AUC of 0.775 ± 0.030. We also investigated the impact of different initialization schemes on GAPPA outcome-edge embeddings, highlighting their robustness and stability.

Conclusion

GAPPA aids in preoperative prognosis assessment and facilitates patient counseling, contributing to prognostic prediction and advancing the applications of GNNs in the biomedical domain.
背景和目的:预测接受肾上腺切除术(ADX)患者的术后预后对临床决策至关重要。本研究引入了一种基于 GNN 的新方法 GAPPA,用于预测单侧原发性醛固酮增多症(UPA)患者的 ADX 术后预后。目的是利用集成到双向图结构中的 GNN,利用临床生化特征与临床结果之间错综复杂的依赖关系,提高预后预测的准确性:我们将预后预测概念化为双向图上的链接预测任务,节点代表患者、临床生化特征和临床结果,边表示它们之间的联系。GAPPA 利用 GNN 捕捉这些依赖关系,并将结果预测无缝整合到图结构中。我们利用 1990 年至 2022 年间接受单侧 ADX(uADX)治疗的 640 名 UPA 患者的数据集对该方法进行了评估。我们使用重复分层五倍交叉验证和配对t检验进行了比较分析,以评估GAPPA与传统机器学习方法和以往研究在各种指标上的表现:结果:GAPPA的表现明显优于传统的机器学习方法和以往的研究(p 结论:GAPPA有助于术前准备:GAPPA 有助于术前预后评估和患者咨询,有助于预后预测并推进 GNN 在生物医学领域的应用。
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引用次数: 0
DMHGNN: Double multi-view heterogeneous graph neural network framework for drug-target interaction prediction DMHGNN:用于药物-靶点相互作用预测的双多视角异构图神经网络框架。
IF 6.1 2区 医学 Q1 COMPUTER SCIENCE, ARTIFICIAL INTELLIGENCE Pub Date : 2024-11-17 DOI: 10.1016/j.artmed.2024.103023
Qiao Ning , Yue Wang , Yaomiao Zhao , Jiahao Sun , Lu Jiang , Kaidi Wang , Minghao Yin
Accurate identification of drug-target interactions (DTIs) plays a crucial role in drug discovery. Compared with traditional experimental methods that are labor-intensive and time-consuming, computational methods for drug-target interactions prediction are more popular in recent years. Conventional computational methods almost simply view heterogeneous network constructed by the drug-related and protein-related dataset instead of comprehensively exploring drug-protein pair (DPP) information. To address this limitation, we proposed a Double Multi-view Heterogeneous Graph Neural Network framework for drug-target interaction prediction (DMHGNN). In DMHGNN, one multi-view heterogeneous graph neural network is based on meta-paths and denoising autoencoder for protein-, drug-related heterogeneous network learning, and another multi-view heterogeneous graph neural network is based on multi-channel graph convolutional network for drug-protein pair similarity network learning. First, a meta-path-based graph encoder with the attention mechanism is used for substructure learning of complex relationships from heterogeneous network constructed by proteins, drugs, side-effects and diseases, obtaining key information that is easy to be ignored in global learning of heterogeneous networks, and multi-source neighbouring features for drugs and proteins are learned from heterogeneous network via denoising auto-encoder model. Then, multi-view graphs of drug-protein pairs (DPPs) including the topology graph, semantics graph and collaborative graph with shared weights are constructed, and the multi-channel graph convolutional network (GCN) is utilized to learn the deep representation of DPPs. Finally, a multi-layer fully connection network is trained to predict drug-target interactions. Experiments have demonstrated its effectiveness and better performance than state-of-the-art methods.
准确识别药物-靶点相互作用(DTIs)在药物发现中起着至关重要的作用。与耗费大量人力和时间的传统实验方法相比,近年来药物靶点相互作用预测的计算方法越来越受欢迎。传统的计算方法几乎只是简单地查看由药物相关数据集和蛋白质相关数据集构建的异构网络,而不是全面地探索药物-蛋白质配对(DPP)信息。针对这一局限,我们提出了一种用于药物-靶点相互作用预测的双多视角异构图神经网络框架(DMHGNN)。在 DMHGNN 中,一个多视角异构图神经网络基于元路径和去噪自编码器进行蛋白质、药物相关的异构网络学习,另一个多视角异构图神经网络基于多通道图卷积网络进行药物-蛋白质配对相似性网络学习。首先,基于元路径的图编码器利用注意力机制从蛋白质、药物、副作用和疾病构建的异构网络中进行复杂关系的子结构学习,获取异构网络全局学习中容易忽略的关键信息,并通过去噪自动编码器模型从异构网络中学习药物和蛋白质的多源邻近特征。然后,构建药物-蛋白质配对(DPP)的多视图图,包括拓扑图、语义图和具有共享权重的协作图,并利用多通道图卷积网络(GCN)学习 DPP 的深度表示。最后,通过训练多层全连接网络来预测药物-靶点相互作用。实验证明了它的有效性,其性能优于最先进的方法。
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Artificial Intelligence in Medicine
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