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The impact of data augmentation and transfer learning on the performance of deep learning models for the segmentation of the hip on 3D magnetic resonance images 数据增强和迁移学习对深度学习模型在三维磁共振图像上分割髋关节的性能的影响
Q1 Medicine Pub Date : 2024-01-01 DOI: 10.1016/j.imu.2023.101444
Eros Montin , Cem M. Deniz , Richard Kijowski , Thomas Youm , Riccardo Lattanzi

Different pathologies of the hip are characterized by the abnormal shape of the bony structures of the joint, namely the femur and the acetabulum. Three-dimensional (3D) models of the hip can be used for diagnosis, biomechanical simulation, and planning of surgical treatments. These models can be generated by building 3D surfaces of the joint's structures segmented on magnetic resonance (MR) images. Deep learning can avoid time-consuming manual segmentations, but its performance depends on the amount and quality of the available training data. Data augmentation and transfer learning are two approaches used when there is only a limited number of datasets. In particular, data augmentation can be used to artificially increase the size and diversity of the training datasets, whereas transfer learning can be used to build the desired model on top of a model previously trained with similar data. This study investigates the effect of data augmentation and transfer learning on the performance of deep learning for the automatic segmentation of the femur and acetabulum on 3D MR images of patients diagnosed with femoroacetabular impingement. Transfer learning was applied starting from a model trained for the segmentation of the bony structures of the shoulder joint, which bears some resemblance to the hip joint. Our results suggest that data augmentation is more effective than transfer learning, yielding a Dice similarity coefficient compared to ground-truth manual segmentations of 0.84 and 0.89 for the acetabulum and femur, respectively, whereas the Dice coefficient was 0.78 and 0.88 for the model based on transfer learning. The Accuracy for the two anatomical regions was 0.95 and 0.97 when using data augmentation, and 0.87 and 0.96 when using transfer learning. Data augmentation can improve the performance of deep learning models by increasing the diversity of the training dataset and making the models more robust to noise and variations in image quality. The proposed segmentation model could be combined with radiomic analysis for the automatic evaluation of hip pathologies.

髋关节的不同病理特征是关节骨骼结构(即股骨和髋臼)形状异常。髋关节的三维(3D)模型可用于诊断、生物力学模拟和手术治疗规划。这些模型可以通过在磁共振(MR)图像上建立关节结构的三维表面来生成。深度学习可以避免耗时的手动分割,但其性能取决于可用训练数据的数量和质量。数据增强和迁移学习是在数据集数量有限的情况下使用的两种方法。其中,数据扩增可用于人为增加训练数据集的规模和多样性,而迁移学习可用于在先前用类似数据训练过的模型基础上建立所需的模型。本研究探讨了数据扩增和迁移学习对深度学习在诊断为股骨髋臼撞击症患者的三维磁共振图像上自动分割股骨和髋臼的性能的影响。迁移学习是从肩关节骨骼结构分割训练的模型开始应用的,肩关节与髋关节有一些相似之处。我们的结果表明,数据增强比迁移学习更有效,与地面实况人工分割相比,髋臼和股骨的 Dice 相似系数分别为 0.84 和 0.89,而基于迁移学习的模型的 Dice 系数分别为 0.78 和 0.88。使用数据增强时,两个解剖区域的准确度分别为 0.95 和 0.97,使用迁移学习时分别为 0.87 和 0.96。数据扩增可以提高训练数据集的多样性,使模型对噪声和图像质量变化更加稳健,从而提高深度学习模型的性能。建议的分割模型可与放射学分析相结合,用于自动评估髋关节病变。
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引用次数: 0
Machine learning prediction of in-hospital recurrent infarction and cardiac death in patients with myocardial infarction 通过机器学习预测心肌梗死患者的院内复发梗死和心源性死亡
Q1 Medicine Pub Date : 2024-01-01 DOI: 10.1016/j.imu.2023.101443
Yu. Kononova , L. Abramyan , A. Funkner , A. Babenko

Background and aim

The aim of the study is to identify statistical patterns in patients with myocardial infarction (MI) during hospitalization that allow predicting the development of acute conditions (recurrent myocardial infarction, cardiac death).

Methods

We identified 3471 episodes of patients treated with a diagnosis acute MI in Almazov National Medical Research Centre. For modelling we selected episodes with acute MI with cardiac surgery operations. Classical machine learning models were chosen as forecasting models: decision trees and ensembles based on them, logistic regression and support vector machine.

Results

The important signs for predicting recurrent MI were the minimum values of hemoglobin, the echocardiography parameters end systolic volume and pulmonary regurgitation, and the minimum value of leukocyte level. Predictors of lethal outcome during hospitalization were advanced age, high values of leukocytes, low values of hemoglobin, high values of alanine aminotransferase.

Conclusion

The obtained results make it possible to predict the development of a lethal outcome and re-infarction based on simple parameters that are easily available in clinical practice.

背景和目的:本研究旨在确定心肌梗塞(MI)患者住院期间的统计模式,以便预测急性病症(复发性心肌梗塞、心源性死亡)的发展。在建模时,我们选择了急性心肌梗死和心脏手术的患者。结果 预测复发性心肌梗死的重要指标是血红蛋白的最小值、超声心动图参数收缩末期容积和肺动脉反流以及白细胞水平的最小值。高龄、高白细胞值、低血红蛋白值、高丙氨酸氨基转移酶值是住院期间致死性结果的预测因素。
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引用次数: 0
Harnessing the therapeutic potential of Coccinia grandis phytochemicals in diabetes: A computational, DFT calculation and MMGBSA perspective on aldose reductase inhibition 挖掘鹅掌楸植物化学物质对糖尿病的治疗潜力:从计算、DFT 计算和 MMGBSA 角度看醛糖还原酶抑制作用
Q1 Medicine Pub Date : 2024-01-01 DOI: 10.1016/j.imu.2024.101477
Nasim Ahmed , Faria Farzana Perveen , Mahfuza Akter , Abdullah Al Mamun , Md. Nurul Islam

The role of aldose reductase (ALR), the key enzyme of the polyol pathway, has been firmly established in hyperglycemia-induced diabetic complications. Therefore, the present study focused on the screening of phytochemicals reported in Coccinia grandis against ALR using in-silico methodologies encompassing molecular docking, pharmacokinetics, molecular dynamic simulation, free energy calculation (MMGBSA), and quantum mechanics. A comprehensive array of 101 compounds from C. grandis documented in IMPPAT database and different literatures have been selected in this study. These compounds were meticulously docked with the ALR (PDB ID: 1EL3), yielding docking scores spanning a range of −5.8 to −11.0 kcal/mol compared to the positive control epalrestat with a score of −7.9kcal/mol. Among them, four compounds have been emerged as the most promising ALR inhibitors: tiliroside, lukianol B, formononetin, and trachelogenin, with docking scores of −11.0, −10.7, −10.4, and −10.2, respectively. Importantly, these compounds exhibited notable stability throughout 100 ns dynamic simulations compared to the control drug, aligning with Lipinski's rule of 5, standard ADME properties, and evincing an absence of anomalous toxic effects. Therefore, these compounds hold great promise as leads to the development of potent ALR inhibitors; however, further studies are needed to warrant their uses in ameliorating diabetic complications.

醛糖还原酶(ALR)是多元醇途径的关键酶,它在高血糖诱发的糖尿病并发症中的作用已得到证实。因此,本研究采用包括分子对接、药代动力学、分子动力学模拟、自由能计算(MMGBSA)和量子力学等在内的硅学方法,重点筛选了所报道的大叶椰子中针对醛糖还原酶的植物化学物质。本研究选取了 IMPPAT 数据库和不同文献中记录的 101 种来自 C. grandis 的化合物。这些化合物与 ALR(PDB ID:1EL3)进行了细致的对接,对接得分范围为 -5.8 至 -11.0 kcal/mol,而阳性对照 epalrestat 的对接得分为 -7.9kcal/mol。其中,有四个化合物被认为是最有希望的 ALR 抑制剂:tiliroside、lukianol B、formononetin 和 trachelogenin,对接得分分别为 -11.0、-10.7、-10.4 和 -10.2。重要的是,与对照药物相比,这些化合物在整个 100 ns 动态模拟过程中表现出显著的稳定性,符合利宾斯基的 5 规则和标准 ADME 特性,而且没有异常毒性效应。因此,这些化合物很有希望成为开发强效 ALR 抑制剂的线索;然而,要证明它们在改善糖尿病并发症方面的用途,还需要进一步的研究。
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引用次数: 0
Evaluating usability of computerized physician order entry systems: Insights from a developing nation 评估计算机化医嘱输入系统的可用性:发展中国家的启示
Q1 Medicine Pub Date : 2024-01-01 DOI: 10.1016/j.imu.2024.101487
Zahra Mohammadzadeh , Ali Mohammad Nickfarjam , Fatemeh Atoof , Ali Akbar Shakeri , Fatemeh Aghasizadeh , Zahra Rasooli , Yalda Miranzadeh

Background

Electronic prescribing is vital in healthcare systems, providing an efficient alternative to manual prescriptions and addressing issues like errors in writing. This study evaluates Iran's Computerized Physician Order Entry (CPOE) system due to its significant role in the health system.

Method

Conducted as a cross-sectional case study in 2023, this research targeted physicians and outpatient unit users in three hospitals affiliated with Kashan University of Medical Sciences. User satisfaction was assessed using the QUIS Questionnaire for user interaction satisfaction and the System Usability Scale (SUS) for overall usability. Statistical analysis included descriptive statistics, independent-sample t-tests, one-way ANOVA, and SUS questionnaire calculation via SPSS software.

Result

The QUIS and SUS questionnaires revealed an overall user satisfaction range of 4.65 out of 9 for physicians and 5.73 out of 9 for outpatient unit users. The SUS questionnaire scored the CPOE system at 72 out of 100 for physicians and 76 out of 100 for outpatient unit users, indicating good usability.

Conclusion

Iran's CPOE system received positive feedback, emphasizing ease of use, learnability, control, stimulation, and flexibility to user needs. While the evaluation was generally positive, there are areas for improvement. Future versions should address user demands, incorporate human-computer interaction principles, and rectify identified shortcomings for enhanced competency. Authorities should prioritize user-centric updates in the continuous development of the Iranian CPOE system.

背景电子处方在医疗保健系统中至关重要,它提供了一种替代手工处方的有效方法,并解决了书写错误等问题。本研究对伊朗的计算机化医嘱输入系统(CPOE)进行了评估,因为该系统在医疗系统中发挥着重要作用。使用 QUIS 问卷评估用户交互满意度,使用系统可用性量表(SUS)评估整体可用性。统计分析包括描述性统计、独立样本 t 检验、单因素方差分析以及通过 SPSS 软件计算 SUS 问卷。SUS 问卷对 CPOE 系统的评分为:医生 72 分(满分 100 分),门诊部用户 76 分(满分 100 分),表明该系统具有良好的可用性。虽然评估结果总体上是积极的,但也有需要改进的地方。未来的版本应满足用户需求,纳入人机交互原则,并纠正已发现的不足之处,以提高能力。在伊朗 CPOE 系统的持续开发过程中,当局应优先考虑以用户为中心的更新。
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引用次数: 0
Deep learning-based sperm motility and morphology estimation on stacked color-coded MotionFlow 基于深度学习的叠加彩色编码 MotionFlow 精子活力和形态估计
Q1 Medicine Pub Date : 2024-01-01 DOI: 10.1016/j.imu.2024.101459
Sigit Adinugroho , Atsushi Nakazawa

Motility and morphology are crucial factors in determining male fertility. The current gold standard defined by the World Health Organization (WHO) mandates that semen analysis be performed by trained technicians. Despite strict standardization and technical guidelines set by the WHO, variability in semen analysis results remains prevalent owing to human subjectivity. Computer-Aided Sperm Analysis presents a further challenge because of its poor agreement with human analysis. This study aimed to enhance the accuracy of automated semen analysis by introducing a new method for expressing sperm motion and investigating advanced deep neural network architectures to estimate motility and morphology. Initially, we extracted motion information from the VISEM dataset using our novel motion representation technique called MotionFlow, along with shape information. Consequently, motility and morphology neural networks were constructed to exploit transfer learning in other fields to improve performance. These networks ingested motion and shape features and made separate predictions for motility and morphology. The evaluation process utilized a K-Fold cross-validation scheme to determine the mean absolute error (MAE) and maintain objectivity throughout the analysis. The proposed method achieved a greater level of performance than the current methods by attaining MAE of 6.842% and 4.148% for motility and morphology estimation, respectively. The improvement accomplished by this research may pave the way toward a fully automated human sperm quality assessment.

活力和形态是决定男性生育能力的关键因素。世界卫生组织(WHO)制定的现行黄金标准规定,精液分析必须由训练有素的技术人员进行。尽管世界卫生组织制定了严格的标准化和技术指南,但由于人的主观性,精液分析结果的变异性仍然普遍存在。由于计算机辅助精液分析与人工分析的一致性较差,因此又带来了新的挑战。本研究旨在通过引入一种表达精子运动的新方法和研究先进的深度神经网络架构来估算精子的运动和形态,从而提高精液自动分析的准确性。最初,我们使用名为 MotionFlow 的新型运动表示技术从 VISEM 数据集中提取运动信息以及形状信息。因此,我们构建了运动和形态神经网络,利用其他领域的迁移学习来提高性能。这些网络接收运动和形状特征,并分别对运动和形态进行预测。评估过程采用 K 折交叉验证方案来确定平均绝对误差(MAE),并在整个分析过程中保持客观性。与目前的方法相比,所提出的方法在运动性和形态估计方面的平均绝对误差分别为 6.842% 和 4.148%,达到了更高的水平。这项研究取得的改进可能会为实现全自动人类精子质量评估铺平道路。
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引用次数: 0
Towards revolutionizing precision healthcare: A systematic literature review of artificial intelligence methods in precision medicine 实现精准医疗的变革:精准医疗中的人工智能方法系统文献综述
Q1 Medicine Pub Date : 2024-01-01 DOI: 10.1016/j.imu.2024.101475
Wafae Abbaoui , Sara Retal , Brahim El Bhiri , Nassim Kharmoum , Soumia Ziti

In the realm of medicine, artificial intelligence (AI) has emerged as a transformative force, harnessing the power to convert raw data into meaningful insights. Rather than supplanting the discernment of physicians, AI serves as an unprecedented enabler, equipping them with unimaginable tools. Its far-reaching applications encompass drug discovery, disease diagnosis, prognosis, treatment optimization, and outcome prediction. This technological revolution owes much to the prowess of machine learning algorithms, which adeptly process multifaceted data. Consequently, AI is poised to become an integral pillar of digital health systems, shaping and bolstering the realm of personalized medicine. The current landscape is abuzz with AI’s exponential growth, fueling a surge of research ventures aimed at enhancing medical practices. By delving into the realm of precision medicine, this paper endeavors to scrutinize and evaluate recent advancements in healthcare pertaining to the utilization of machine learning (ML) and deep learning (DL) algorithms. This systematic review comprehensively encompasses previously published works, dissecting key concepts, innovations, significant contributions, and pivotal enabling techniques. Aspiring to equip readers with a profound understanding and invaluable insights, this paper proves indispensable to those dedicated to exploring the state-of-the-art and contributing to future literature in this domain.

在医学领域,人工智能(AI)已成为一股变革力量,它能将原始数据转化为有意义的见解。人工智能非但没有取代医生的洞察力,反而成为前所未有的推动力,为他们提供了难以想象的工具。它的应用意义深远,包括药物发现、疾病诊断、预后判断、治疗优化和结果预测。这场技术革命在很大程度上要归功于机器学习算法的强大功能,它能够熟练地处理多方面的数据。因此,人工智能有望成为数字医疗系统不可或缺的支柱,塑造并加强个性化医疗领域。当前,人工智能正以指数级的速度发展,推动了旨在改善医疗实践的研究热潮。通过深入探讨精准医疗领域,本文致力于仔细研究和评估医疗保健领域在利用机器学习(ML)和深度学习(DL)算法方面的最新进展。这篇系统性综述全面涵盖了以前发表的作品,剖析了关键概念、创新、重要贡献和关键使能技术。本文旨在为读者提供深刻的理解和宝贵的见解,对于那些致力于探索该领域最新技术并为未来文献做出贡献的人来说,本文是不可或缺的。
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引用次数: 0
Efficient ECG classification based on the probabilistic Kullback-Leibler divergence 基于概率库尔巴克-莱伯勒发散的高效心电图分类
Q1 Medicine Pub Date : 2024-01-01 DOI: 10.1016/j.imu.2024.101510
Dhiah Al-Shammary , Mohammed Radhi , Ali Hakem AlSaeedi , Ahmed M. Mahdi , Ayman Ibaida , Khandakar Ahmed

Diagnostic systems of cardiac arrhythmias face early and accurate detection challenges due to the overlap of electrocardiogram (ECG) patterns. Additionally, these systems must manage a huge number of features. This paper proposes a new classifier Kullback-Leibler classifier (KLC) that combines feature optimization and probabilistic Kullback-Leibler (KL) divergence. Particle swarm optimization (PSO) is used for optimizing the features of ECG data, while KL divergence counts the variance between training and testing probability distributions. The proposed framework led the new classifier to distinguish normal and abnormal rhythms accurately. MIT-BIH Standard Arrhythmia Dataset (MIT-BIH) is used to test the validity of the proposed model. The experimental results show the proposed classifier achieves results in precision (86.67%), recall (86.67%), and F1_Score (86.5%).

由于心电图(ECG)模式的重叠,心律失常诊断系统面临着早期准确检测的挑战。此外,这些系统还必须管理大量特征。本文提出了一种新的分类器 Kullback-Leibler classifier (KLC),它结合了特征优化和概率 Kullback-Leibler (KL) 发散。粒子群优化(PSO)用于优化心电图数据的特征,而 KL 发散则计算训练和测试概率分布之间的方差。所提出的框架使新分类器能准确区分正常和异常节律。MIT-BIH 标准心律失常数据集(MIT-BIH)被用来测试所提模型的有效性。实验结果表明,提出的分类器在精确度(86.67%)、召回率(86.67%)和 F1_Score (86.5%)方面都取得了成果。
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引用次数: 0
Factors influencing nurses’ acceptance of patient safety reporting systems based on the unified theory of acceptance and use of technology (UTAUT) 基于接受和使用技术统一理论(UTAUT)的影响护士接受患者安全报告系统的因素
Q1 Medicine Pub Date : 2024-01-01 DOI: 10.1016/j.imu.2024.101554
Abbas Sheikhtaheri , Sharare Taheri Moghadam , Afsaneh Dehnad , Parvin Tatarpoor

Introduction

Patient safety reporting systems (PSRS) play a crucial role in hospitals by collecting patient safety data, primarily from nurses. Identifying the factors influencing nurses' safety reporting behaviors provides safety managers with insights to encourage reporting. This study aims to identify the key factors impacting nurses’ acceptance of PSRS.

Methods

This cross-sectional study, conducted in 2022, enrolled 249 nurses from 14 teaching and non-teaching hospitals in Tehran, Iran. A questionnaire was developed on the basis of the unified theory of acceptance and use of technology (UTAUT) constructs, encompassing actual use, behavioral intention to use, facilitation conditions, effort expectancy, performance expectancy, and social influence. Additional constructs such as perceived positive outcomes, perceived negative outcomes, management support, and trust were also included. Data analysis comprised linear regression and Partial Least Squares-Structural Equation Modeling (PLS-SEM). The reliability and validity of the measurement model were assessed by using metrics like Cronbach's alpha, composite reliability, Rho_A, average variance extracted, and Heterotrait-Monotrait Ratio of Correlations before calculating path coefficients, the coefficient of determination, effect size, and predictive relevance of influencing factors.

Results

The study indicated favorable attitudes among nurses toward PSRS. Significant relationships were observed between behavioral intention (β = 0.379) and facilitation conditions with actual use (β = 0.228). Additionally, effort expectancy (β = 0.101), management support (β = 0.268), and performance expectancy (β = 0.180) demonstrated significant associations with behavioral intention. The R2 values for behavioral intention and actual use were 0.198 and 0.246, respectively.

Conclusion

Simplifying reporting systems to reduce nurses’ reporting burden, providing effective facilitation within hospitals, enhancing perceived benefits associated with reporting systems for nurses, and ensuring robust managerial support are pivotal strategies that can significantly boost the acceptance of PSRS among nursing staff.

导言患者安全报告系统(PSRS)通过收集患者安全数据(主要来自护士)在医院中发挥着至关重要的作用。确定影响护士安全报告行为的因素可为安全管理人员提供鼓励报告的见解。本研究旨在确定影响护士接受 PSRS 的关键因素。这项横断面研究于 2022 年进行,共招募了来自伊朗德黑兰 14 家教学医院和非教学医院的 249 名护士。根据技术接受和使用统一理论(UTAUT)的建构原则编制了一份调查问卷,其中包括实际使用、使用行为意向、便利条件、努力预期、绩效预期和社会影响。此外,还包括感知到的积极结果、感知到的消极结果、管理支持和信任等其他因素。数据分析包括线性回归和偏最小二乘法结构方程模型(PLS-SEM)。在计算路径系数、决定系数、效应大小和影响因素的预测相关性之前,使用 Cronbach'sα、复合信度、Rho_A、提取的平均方差和异质-单质相关比等指标对测量模型的信度和效度进行了评估。行为意向(β = 0.379)和促进条件与实际使用(β = 0.228)之间存在显著关系。此外,努力期望值(β = 0.101)、管理支持(β = 0.268)和绩效期望值(β = 0.180)与行为意向也有显著关联。结论简化报告系统以减轻护士的报告负担,在医院内部提供有效的便利,提高护士对报告系统相关益处的感知,以及确保强有力的管理支持,是能够显著提高护理人员对 PSRS 接受度的关键策略。
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引用次数: 0
Integration technologies in laboratory information systems: A systematic review 实验室信息系统中的集成技术:系统回顾
Q1 Medicine Pub Date : 2024-01-01 DOI: 10.1016/j.imu.2024.101566
Jay Mark Edayan , Arthon Jon Gallemit , Niña Eunice Sacala , Xavier-Lewis Palmer , Lucas Potter , Junil Rarugal , Lemuel Clark Velasco

Clinical laboratories have evolved with technological advancements through integrating various subsystems into Health Information Systems (HIS), particularly the Laboratory Information System (LIS). The LIS automates processes, manages results, and interfaces with healthcare information sources. Challenges include workflow inefficiencies and data interpretation issues. Despite increased data accessibility, managing clinical data across systems remains complex. Integrating laboratory machines into LIS is essential for optimizing healthcare delivery, requiring effective integration technologies. This study aims to synthesize the existing empirical studies on the utilization of integration technologies for Software-to-Software (S2S) communication in automating clinical laboratory processes. This study systematically examined integration technologies in LIS using PubMed and following PRISMA 2020 guidelines. The three-phase methodology included a scoping analysis, methodological analysis, and a gap analysis, focusing on S2S communication, interoperability frameworks, data standards, communication protocols, and challenges in LIS integration technologies. Analysis of 28 sample studies revealed a complex landscape in LIS integration shaped by end-users, care providers, and researchers. Clinical laboratories prioritize integration, focusing on patient data and sustainability. Standards like HL7 and FHIR ensure interoperability. Eleven methodologies highlight system development in Health Information Systems (HIS). Interoperability is a common objective, with 22 out of 28 studies achieving success. Challenges include limited generalizability, poor validation, and post-implementation modifications. Issues like security, data incompatibility, and evolving standards persist.

通过将各种子系统整合到医疗信息系统(HIS),特别是实验室信息系统(LIS),临床实验室随着技术的进步而发展。LIS 实现了流程自动化、结果管理以及与医疗保健信息源的对接。面临的挑战包括工作流程效率低下和数据解读问题。尽管数据的可访问性有所提高,但跨系统管理临床数据仍然十分复杂。将实验室机器集成到 LIS 中对于优化医疗服务至关重要,这需要有效的集成技术。本研究旨在综合现有的实证研究,探讨在临床实验室流程自动化中如何利用软件到软件(S2S)通信的集成技术。本研究使用 PubMed 并遵循 PRISMA 2020 指南,系统地研究了 LIS 中的集成技术。研究方法分为三个阶段,包括范围分析、方法分析和差距分析,重点关注 S2S 通信、互操作性框架、数据标准、通信协议以及 LIS 集成技术面临的挑战。对 28 项样本研究的分析表明,最终用户、医疗服务提供者和研究人员决定了 LIS 集成的复杂局面。临床实验室优先考虑集成,重点关注患者数据和可持续性。HL7 和 FHIR 等标准确保了互操作性。健康信息系统 (HIS) 中的 11 种方法强调了系统开发。互操作性是一个共同目标,28 项研究中有 22 项取得了成功。面临的挑战包括通用性有限、验证不充分以及实施后的修改。安全、数据不兼容和不断演变的标准等问题依然存在。
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引用次数: 0
Comparative assessment of projection and clustering method combinations in the analysis of biomedical data 比较评估生物医学数据分析中的投影和聚类方法组合
Q1 Medicine Pub Date : 2024-01-01 DOI: 10.1016/j.imu.2024.101573
Jörn Lötsch , Alfred Ultsch

Background

Clustering on projected data is common in biomedical research analysis. Principal component analysis (PCA) is widely used for projection, focusing on data dispersion (variance), while clustering identifies data concentrations (neighborhood). These are conflicting aims. This study re-evaluates combinations of PCA and other projection methods with common clustering algorithms.

Methods

Six projection methods (PCA, ICA, isomap, MDS, t-SNE, UMAP) were combined with five clustering algorithms (k-means, k-medoids, single link, Ward's method, average link). Projections and clusterings were evaluated using a numerical criterion for evaluating clustering performance and a visual criterion based on plotting the projected data on a Voronoi tessellation plane with class-wise coloring. Nine artificial and five real biomedical datasets were analyzed.

Results

No combination consistently captured prior classifications in projections and clusters. Visual inspection proved essential. PCA was often but not always outperformed or equaled by neighborhood-based methods (UMAP, t-SNE) and manifold learning techniques (isomap).

Conclusions

The results dissaprove PCA as a standard projection method prior to clustering. Therefore, method selection should be data specific as a tailored approach to data projection and clustering in biomedical analysis. To aid this process, we propose a novel visualization technique that combines Voronoi tessellation with color coding.

背景在生物医学研究分析中,对投影数据进行聚类很常见。主成分分析(PCA)被广泛用于投影,侧重于数据的分散性(方差),而聚类则识别数据的集中性(邻域)。这些目标相互冲突。方法将六种投影方法(PCA、ICA、isomap、MDS、t-SNE、UMAP)与五种聚类算法(k-means、k-medoids、single link、Ward's method、 average link)相结合。对投影和聚类的评估采用了聚类性能的数字评估标准和视觉评估标准,前者是将投影数据绘制在带分类着色的沃罗诺网格平面上。对九个人工数据集和五个真实的生物医学数据集进行了分析。事实证明,目测是必不可少的。基于邻域的方法(UMAP、t-SNE)和流形学习技术(isomap)常常优于或等同于 PCA。因此,作为生物医学分析中数据投影和聚类的定制方法,方法选择应针对具体数据。为了帮助这一过程,我们提出了一种新颖的可视化技术,将 Voronoi 网格与颜色编码相结合。
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Informatics in Medicine Unlocked
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