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Clinical applications of artificial intelligence and machine learning in the modern cardiac intensive care unit 人工智能和机器学习在现代心脏重症监护病房的临床应用
Pub Date : 2023-01-01 DOI: 10.1016/j.ibmed.2023.100089
Jacob C. Jentzer , Anthony H. Kashou , Dennis H. Murphree

The depth and breadth of data produced in the modern cardiac intensive care unit (CICU) poses challenges to clinicians and researchers. Artificial intelligence (AI) and machine learning (ML) methodologies have been increasingly used to provide insights into this complex patient population. Major analytical tasks where ML methodology can be applied in the CICU and other critical care settings include mortality risk stratification, prognostication, non-fatal event prediction, diagnosis, phenotyping, identification of occult heart disease from the electrocardiogram and interpretation of echocardiographic images. In this review, we will discuss existing and future applications of different ML methods for CICU and other critical care populations, including penalized regression, standard ML methods (e.g., tree-based and other non-linear approaches) and advanced ML methods (e.g., deep learning and neural networks). While comparatively few published studies have applied ML methods in CICU populations, a more robust literature including patients with acute cardiovascular disease and non-cardiovascular critical illness can provide insights into CICU care. The CICU of the future is likely to utilize a sophisticated array of ML algorithms to streamline patient care by facilitating early recognition, diagnosis, phenotyping, and intervention for critically ill or deteriorating patients to improve providers’ cognitive load.

现代心脏重症监护病房(CICU)产生的数据的深度和广度对临床医生和研究人员提出了挑战。人工智能(AI)和机器学习(ML)方法已越来越多地用于深入了解这一复杂的患者群体。ML方法可以应用于重症监护室和其他重症监护环境的主要分析任务包括死亡率风险分层、预测、非致命事件预测、诊断、表型、从心电图识别隐匿性心脏病和超声心动图图像的解释。在这篇综述中,我们将讨论不同的机器学习方法在CICU和其他重症监护人群中的现有和未来应用,包括惩罚回归,标准机器学习方法(例如,基于树和其他非线性方法)和高级机器学习方法(例如,深度学习和神经网络)。虽然在CICU人群中应用ML方法的已发表研究相对较少,但包括急性心血管疾病和非心血管危重疾病患者在内的更强大的文献可以为CICU护理提供见解。未来的CICU可能会利用一系列复杂的ML算法,通过促进危重患者或病情恶化患者的早期识别、诊断、表型和干预来简化患者护理,以改善提供者的认知负荷。
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引用次数: 6
Computer vision with smartphone microphotography for detection of carious lesions 计算机视觉与智能手机显微摄影检测龋齿病变
Pub Date : 2023-01-01 DOI: 10.1016/j.ibmed.2023.100105
Taseef Hasan Farook , Saif Ahmed , Nafij Bin Jamayet , James Dudley

Objectives

To evaluate the similarities in microphotographic images across different smartphones and to establish whether computer vision can use microphotographs to successfully classify dental caries.

Method

A universal clip-type microscope with 60x optical zoom was selected to perform in vitro microphotography of extracted teeth. For the first objective, areas of cariogenic interest were physically labelled by dentists and eight smartphones were used to capture images of tooth decays with the microscope fitted over the primary camera lens. For the second objective, 233 microphotography images were acquired and virtually augmented to produce 1631 images that were categorized digitally by an international caries classification system for computer vision-based object detection (YOLO.v4). Five practitioners independently labelled randomly selected images from the test dataset following the caries classification system which were subsequently used to evaluate the diagnostic test accuracy of the YOLO model.

Result

A significant overall mean square error [F (df) = 4.03 (6); P < 0.05] was observed while Bhattacharya's distance evaluation produced no significant differences [F (df) = 1.60 (6); P > 0.05] across all eight smartphone derived datasets. Index and reference test comparisons determined an overall sensitivity of 0.99 and specificity of 0.94 for the trained YOLO.v4 and highly significant correlations (r > 0.9, P < 0.001) to the classifications labelled by the dental practitioners.

Conclusion

Non-standardized images of tooth caries captured by different smartphones generated an accurate diagnostic model for classifying carious lesions that was similar to the visual assessments performed by experienced dental practitioners.

目的评估不同智能手机的显微照片图像的相似性,并确定计算机视觉是否可以使用显微照片成功地对龋齿进行分类。方法选用60倍光学变焦的通用夹式显微镜对拔除的牙齿进行体外显微摄影。第一个目标是,牙医对感兴趣的致龋区域进行物理标记,并使用八部智能手机在主摄像头上安装显微镜,捕捉牙齿腐烂的图像。对于第二个目的,采集了233张显微摄影图像,并对其进行了虚拟增强,生成了1631张图像,这些图像由国际龋齿分类系统进行了数字分类,用于基于计算机视觉的物体检测(YOLO.v4)。五名从业者根据龋齿分类系统从测试数据集中独立标记随机选择的图像,随后用于评估YOLO模型的诊断测试准确性。结果在所有八个智能手机衍生数据集中,观察到显著的总体均方误差[F(df)=4.03(6);P<;0.05],而Bhattacharya的距离评估没有产生显著差异[F(df)=1.60(6),P>;0.05]。指数和参考测试的比较确定了经过训练的YOLO.v4的总体灵敏度为0.99,特异性为0.94,并且与牙科医生标记的分类具有高度显著的相关性(r>0.9,P<0.001)。结论不同智能手机拍摄的非标准化龋齿图像为龋齿病变的分类提供了准确的诊断模型,与经验丰富的牙科医生进行的视觉评估相似。
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引用次数: 3
Novel integration of governmental data sources using machine learning to identify super-utilization among U.S. counties 使用机器学习对政府数据源进行新的集成,以识别美国各县的超级利用率。
Pub Date : 2023-01-01 DOI: 10.1016/j.ibmed.2023.100093
Iben M. Ricket , Michael E. Matheny , Todd A. MacKenzie , Jennifer A. Emond , Kusum L. Ailawadi , Jeremiah R. Brown

Background

Super-utilizers consume the greatest share of resource intensive healthcare (RIHC) and reducing their utilization remains a crucial challenge to healthcare systems in the United States (U.S.). The objective of this study was to predict RIHC among U.S. counties, using routinely collected data from the U.S. government, including information on consumer spending, offering an alternative method for identifying super-utilization among population units rather than individuals.

Methods

Cross-sectional data from 5 governmental sources in 2017 were used in a machine learning pipeline, where target-prediction features were selected and used in 4 distinct algorithms. Outcome metrics of RIHC utilization came from the American Hospital Association and included yearly: (1) emergency rooms visit, (2) inpatient days, and (3) hospital expenditures. Target-prediction features included: 149 demographic characteristics from the U.S. Census Bureau, 151 adult and child health characteristics from the Centers for Disease Control and Prevention, 151 community characteristics from the American Community Survey, and 571 consumer expenditures from the Bureau of Labor Statistics. SHAP analysis identified important target-prediction features for 3 RIHC outcome metrics.

Results

2475 counties with emergency rooms and 2491 counties with hospitals were included. The median yearly emergency room visits per capita was 0.450 [IQR:0.318, 0.618], the median inpatient days per capita was 0.368 [IQR: 0.176, 0.826], and the median hospital expenditures per capita was $2104 [IQR: $1299.93, 3362.97]. The coefficient of determination (R2), calculated on the test set, ranged between 0.267 and 0.447. Demographic and community characteristics were among the important predictors for all 3 RIHC outcome metrics.

Conclusions

Integrating diverse population characteristics from numerous governmental sources, we predicted 3-outcome metrics of RIHC among U.S. counties with good performance, offering a novel and actionable tool for identifying super-utilizer segments in the population. Wider integration of routinely collected data can be used to develop alternative methods for predicting RIHC among population units.

背景:超级利用者消耗了资源密集型医疗保健(RIHC)的最大份额,降低其利用率仍然是美国医疗保健系统面临的一个关键挑战。本研究的目的是利用美国政府定期收集的数据,包括消费者支出信息,预测美国各县的资源密集型卫生保健,提供了一种用于识别种群单位而非个体之间的超利用率的替代方法。方法:在机器学习管道中使用2017年来自5个政府来源的横断面数据,其中选择目标预测特征并将其用于4种不同的算法。RIHC利用率的结果指标来自美国医院协会,包括每年:(1)急诊室就诊,(2)住院天数,(3)医院支出。目标预测特征包括:美国人口普查局的149个人口特征,疾病控制和预防中心的151个成人和儿童健康特征,美国社区调查的151个社区特征,以及劳工统计局的571个消费者支出。SHAP分析确定了3个RIHC结果指标的重要目标预测特征。结果:纳入2475个设有急诊室的县和2491个设有医院的县。年人均急诊就诊人次中位数为0.450[IQR:0.318,0.618],人均住院天数中位数为0.368[IQR:0.176,0.826],人均医院支出中位数为2104美元[IQR:129.93,3362.97]。根据测试集计算的决定系数(R2)在0.267和0.447之间。人口统计学和社区特征是所有3个RIHC结果指标的重要预测因素。结论:综合来自众多政府来源的不同人群特征,我们预测了美国表现良好的县的RIHC的3个结果指标,为识别人群中的超级利用者群体提供了一个新的可行工具。对常规收集的数据进行更广泛的整合,可用于开发预测人口单位间RIHC的替代方法。
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引用次数: 1
A hybrid U-Net model with attention and advanced convolutional learning modules for simultaneous gland segmentation and cancer grade prediction in colorectal histopathological images 结合注意力和先进卷积学习模块的混合U-Net模型,用于结直肠组织病理图像中腺体分割和癌级预测
Pub Date : 2023-01-01 DOI: 10.1016/j.ibmed.2023.100094
Manju Dabass , Jyoti Dabass , Sharda Vashisth , Rekha Vig

In this proposed research work, a computerized Hybrid U-Net model for supplying colon glandular morphometric and cancer grade information is demonstrated. The solution is put forth by incorporating three distinctive structural elements—Advanced Convolutional Learning Modules, Attention Modules, and Multi-Scalar Transitional Modules—into the conventional U-Net architecture. By combining these modules, complex multi-level convolutional feature learning further encompassed with target-specified attention and increased effective receptive-field-size are produced. Three publicly accessible datasets—CRAG, GlaS challenge, LC-25000 dataset, and an internal, proprietary dataset Hospital Colon (HosC)—are used in experiments. The suggested model also produced competitive results for the gland detection and segmentation task in terms of Object-Dice Index as ((0.950 for CRAG), (GlaS: (0.951 for Test A & 0.902 for Test B)), (0.954 for LC-25000), (0.920 for HosC)), F1-score as ((0.921 for CRAG), (GlaS: (0.945 for Test A & 0.923 for Test B)), (0.913 for LC-25000), (0.955 for HosC)), and Object-Hausdorff Distance ((90.43 for CRAG), (GlaS: (23.11 for Test A & 71.47 for Test B)), (96.24 for LC-25000), (85.41 for HosC)). Pathologists evaluated the generated segmented glandular areas and assigned a mean score as ((9.25 for CRAG), (GlaS: (9.32 for Test A & 9.28 for Test B)), (9.12 for LC-25000) (9.14 for HosC)). The proposed model successfully completed the task of determining the cancer grade with the following results: Precision as ((0.9689 for CRAG), (0.9721 for GlaS), (1.0 for LC-25000), (1.0 for HosC)), Specificity (0.8895 for CRAG), (0.9710 for GlaS), (1.0 for LC-25000), (1.0 for HosC)), and Sensitivity ((0.9677 for CRAG), (0.9722 for GlaS), (0.9995 for LC-25000), (0.9932 for HosC)). Additionally, the Gradient-Weighted class activation mappings are provided to highlight the critical regions that the suggested model believes are essential for accurately predicting cancer. These visualizations are further reviewed by skilled pathologists and assigned with the mean scores as ((9.37 for CRAG), (9.29 for GlaS), (9.09 for LC-25000), and (9.91 for HosC)). By offering a referential opinion during the morphological assessment and diagnosis formulation in histopathology images, these results will help the pathologists and contribute towards reducing inadvertent human mistake and accelerating the cancer detection procedure.

在这项拟议的研究工作中,展示了一个计算机化的混合U-Net模型,用于提供结肠腺体形态测量和癌症分级信息。该解决方案是通过将三个独特的结构元素——高级卷积学习模块、注意力模块和多标量过渡模块——整合到传统的U-Net架构中提出的。通过结合这些模块,可以产生复杂的多层次卷积特征学习,进一步包含目标指定的注意力和增加的有效接受域大小。实验中使用了三个可公开访问的数据集——crag、GlaS挑战、LC-25000数据集和内部专有数据集Hospital Colon (HosC)。所建议的模型在gland检测和分割任务方面也产生了竞争结果,在Object-Dice Index方面,CRAG为(0.950),Test A为(0.951);测试B为0.902),LC-25000为0.954),HosC为0.920)),f1得分为(crg为0.921),测试A为(0.945);0.923(测试B)), (0.913 LC-25000), (0.955 HosC))和对象-豪斯多夫距离((90.43 CRAG), (GlaS:(23.11测试A &测试B (71.47)), LC-25000 (96.24), HosC(85.41))。病理学家对生成的分节腺体区域进行评估,并将CRAG的平均得分定为(9.25),测试a的平均得分为(9.32);测试B为9.28),(LC-25000为9.12)(HosC为9.14))。所提出的模型成功完成了确定癌症分级的任务,其结果如下:精确度为(CRAG为0.9689),GlaS为0.9721,LC-25000为1.0,HosC为1.0),特异性为(CRAG为0.8895),GlaS为0.9710,LC-25000为1.0,HosC为1.0),敏感性为(CRAG为0.9677),GlaS为0.9722,LC-25000为0.9995),HosC为0.9932)。此外,还提供了梯度加权类激活映射,以突出显示建议模型认为对准确预测癌症至关重要的关键区域。这些图像由熟练的病理学家进一步检查,并分配平均分数为((CRAG为9.37),(GlaS为9.29),(LC-25000为9.09)和(HosC为9.91))。通过在组织病理学图像的形态学评估和诊断制定过程中提供参考意见,这些结果将有助于病理学家,并有助于减少无意的人为错误和加快癌症的检测过程。
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引用次数: 6
Model utility of a deep learning-based segmentation is not Dice coefficient dependent: A case study in volumetric brain blood vessel segmentation 基于深度学习的分割的模型效用不依赖于骰子系数:容量脑血管分割的案例研究
Pub Date : 2023-01-01 DOI: 10.1016/j.ibmed.2023.100092
Mohammadali Alidoost , Vahid Ghodrati , Amirhossein Ahmadian , Abbas Shafiee , Cameron H. Hassani , Arash Bedayat , Jennifer L. Wilson

Cerebrovascular disease is one of the world's leading causes of death. Blood vessel segmentation is a primary stage in diagnosing. Although a few deep neural networks have been suggested to automate volumetric brain blood vessel segmentation, few studies have considered the relevance of the evaluation metrics to diagnosing cerebrovascular disease due to the complicated nature of this task. This study aimed to understand if brain vasculature segmentation using a convolutional neural network (CNN) could meet radiologists' requirements for disease diagnosis. We employed a deeply supervised attention-gated 3D U-Net trained based on the Focal Tversky loss function to extract brain vasculatures from volumetric magnetic resonance angiography (MRA) images. Here we show that our training procedure led to biologically relevant results despite not scoring well using the Dice score, a common metric for algorithm evaluation. We achieved Dice (±SD) = 0.71 ± 0.02 and two radiologists confirmed and validated that our method successfully captured the major blood vessel branches of the circle of Willis (CoW) having biological importance, including internal carotid artery (ICA), middle cerebral artery (MCA), anterior cerebral artery (ACA), and posterior cerebral artery (PCA). Adding radiologists' expert opinions, we could fill this gap that using only the current common evaluation metrics, such as the Dice coefficient, is not enough for brain vessel segmentation assessment. These results suggest the additional value for computational approaches that are designed with end-user stakeholders in mind.

脑血管疾病是世界上主要的死亡原因之一。血管分割是诊断的初级阶段。虽然一些深度神经网络已经被建议用于自动化容量脑血管分割,但由于这项任务的复杂性,很少有研究考虑评估指标与脑血管疾病诊断的相关性。本研究旨在了解使用卷积神经网络(CNN)进行脑血管分割是否能满足放射科医生对疾病诊断的要求。我们采用基于Focal Tversky损失函数训练的深度监督注意力门控3D U-Net从体积磁共振血管成像(MRA)图像中提取脑血管。在这里,我们展示了我们的训练过程导致了生物学相关的结果,尽管使用Dice分数(算法评估的常用指标)得分不高。我们获得了Dice(±SD) = 0.71±0.02,两位放射科医生证实并验证了我们的方法成功捕获了具有生物学重要性的威氏圈(CoW)的主要血管分支,包括颈内动脉(ICA)、大脑中动脉(MCA)、大脑前动脉(ACA)和大脑后动脉(PCA)。加上放射科医生的专家意见,我们可以填补仅使用目前常用的评估指标(如Dice系数)不足以进行脑血管分割评估的空白。这些结果表明,在设计时考虑到最终用户利益相关者的计算方法的附加价值。
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引用次数: 0
Who will stay a little longer? Predicting length of stay in hip and knee arthroplasty patients using machine learning 谁会多待一会儿?使用机器学习预测髋关节和膝关节置换术患者的住院时间
Pub Date : 2023-01-01 DOI: 10.1016/j.ibmed.2023.100111
Benedikt Langenberger

Background

Hospital length of stay (LoS) varies widely across hip (HA) and knee arthroplasty (KA) patients and depends on multiple factors. Prediction methods are necessary to improve hospital capacity planning and identify patients at risk of long LoS. This study aims (1) to compare the performance of previously applied machine learning (ML) as well as regression methods for either LoS classification or regression in a multi-hospital setting for primary HA and KA patients. In addition, the study aims (2a) to assess which variables are the most important predictors for LoS prediction and, specifically, (2b) whether patient-reported outcome measures (PROMs) collected before surgery act as important predictors.

Methods

2611 primary HA and 2077 primary KA patients from eight German hospitals were included to train and test extreme gradient boosting (XGBoost), naïve Bayes (NB) and logistic regression (LogReg) for classification, and XGBoost as well as a linear regression (LinReg) for regression. Area under the receiver operating characteristics curve (AUC) and mean absolute error (MAE) were used as primary performance indicators for classification and regression.

Results

For classification, the highest AUC was reached by XGBoost and LogReg (AUC = 0.81) in the HA sample, whereas NB was statistically significantly outperformed by both other methods. In the KA sample, no statistical difference between any method was found, and AUC was lower for all models compared with HA. For regression, MAE was lowest for XGBoost (1.43 days for HA and 1.21 days for KA). PROMs and hospital indicators were among the most relevant predictors in all cases.

Conclusion

The study demonstrated robust performance of ML in predicting LoS. PROMs reflect relevant features for prediction. They should be routinely collected and used for practical applications. XGBoost may act as a superior prediction tool compared to regression or other ML models in certain circumstances.

背景髋关节(HA)和膝关节置换术(KA)患者的住院时间差异很大,取决于多种因素。预测方法对于改进医院容量规划和识别有长期LoS风险的患者是必要的。本研究旨在(1)比较先前应用的机器学习(ML)以及回归方法在多医院环境中对原发性HA和KA患者的LoS分类或回归的性能。此外,该研究旨在(2a)评估哪些变量是LoS预测的最重要预测因素,特别是(2b)手术前收集的患者报告的结果测量(PROM)是否是重要的预测因素。方法对来自德国8家医院的2611名原发性HA和2077名原发KA患者进行训练和测试,分别采用极限梯度增强(XGBoost)、朴素贝叶斯(NB)和逻辑回归(LogReg)进行分类,XGBoost和线性回归(LinReg)进行回归。受试者工作特性曲线下面积(AUC)和平均绝对误差(MAE)被用作分类和回归的主要性能指标。结果对于分类,XGBoost和LogReg在HA样本中达到了最高的AUC(AUC=0.81),而NB在统计学上显著优于其他两种方法。在KA样本中,没有发现任何方法之间的统计差异,并且与HA相比,所有模型的AUC都较低。对于回归,XGBoost的MAE最低(HA为1.43天,KA为1.21天)。胎膜早破和医院指标是所有病例中最相关的预测因素。结论该研究证明了ML在预测LoS方面的稳健性能。PROM反映了用于预测的相关特征。应定期收集并用于实际应用。在某些情况下,与回归或其他ML模型相比,XGBoost可能是一种优越的预测工具。
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引用次数: 0
Neural networks for cognitive testing: Cognitive test drawing classification 认知测试的神经网络:认知测试图分类
Pub Date : 2023-01-01 DOI: 10.1016/j.ibmed.2023.100104
Calvin W. Howard

With the burgeoning population of patients with cognitive disorders such as dementia, healthcare is already having significant difficulty in caring for this new population of patients. However, with the last decade's advances in neural networks, it is possible to begin creating software which may aid in healthcare for these patients. Specifically, it may aid in diagnosis, such as in expediting cognitive examinations. Within this paper, we describe a custom neural network utilizing a SqueezeNet which is used to classify a custom dataset of hand-drawn images commonly used in cognitive examinations. We demonstrate that our model has 97% accuracy. Specifically, this enables the development of entire automated and accurate cognitive examinations. The work presented here demonstrates neural networks may assist with healthcare for patients with cognitive disorders, having impact upon the fields of neurology, psychiatry, and family medicine. Importantly, within the context of the COVID-19 pandemic restricting in-person visits and promoting telemedicine, this provides the foundations to transition cognitive examinations to a telemedicine modality.

随着痴呆症等认知障碍患者的不断增加,医疗保健在照顾这一新的患者群体方面已经遇到了重大困难。然而,随着过去十年神经网络的进步,有可能开始创建有助于这些患者医疗保健的软件。具体来说,它可能有助于诊断,例如加快认知检查。在本文中,我们描述了一种利用SqueezeNet的自定义神经网络,该网络用于对认知检查中常用的手绘图像的自定义数据集进行分类。我们证明我们的模型有97%的准确率。具体来说,这使得整个自动化和准确的认知检查得以发展。这里介绍的工作表明,神经网络可以帮助认知障碍患者的医疗保健,对神经病学、精神病学和家庭医学领域产生影响。重要的是,在新冠肺炎大流行限制住院就诊和促进远程医疗的背景下,这为认知检查向远程医疗模式过渡奠定了基础。
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引用次数: 0
Decoding ChatGPT: A primer on large language models for clinicians 解码 ChatGPT:面向临床医生的大型语言模型入门指南
Pub Date : 2023-01-01 DOI: 10.1016/j.ibmed.2023.100114
R. Brandon Hunter, Sanjiv D. Mehta, Alfonso Limon, Anthony C. Chang

The rapid progress of artificial intelligence (AI) and the adoption of Large Language Models (LLMs) suggests that these technologies will transform healthcare in the coming years. We present a primer on LLMs for clinicians, focusing on OpenAI's Generative Pretrained Transformer-4 (GPT-4) model which powers ChatGPT as a use-case, as it has already seen record-breaking uptake in usage. ChatGPT generates natural-sounding text based on patterns observed from vast amounts of training data. The core strengths of ChatGPT and LLMs in healthcare applications include summarization and text generation, rapid adaptation and learning, and ease of customization and integration into existing applications. However, clinicians should also recognize the limitations of LLMs, most notably concerns about inaccuracy, privacy, accountability, transparency, and explainability. Clinicians must embrace the opportunity to explore, engage, and lead in the responsible integration of LLMs, harnessing their potential to revolutionize patient care and drive advancements in an ever-evolving healthcare landscape.

人工智能(AI)的飞速发展和大型语言模型(LLM)的应用表明,这些技术将在未来几年改变医疗保健行业。我们为临床医生介绍了 LLM 的入门知识,重点介绍 OpenAI 的生成预训练转换器-4(GPT-4)模型,该模型为 ChatGPT 提供了动力,其使用率已经创下历史新高。ChatGPT 根据从大量训练数据中观察到的模式生成自然发音的文本。ChatGPT 和 LLM 在医疗保健应用中的核心优势包括总结和文本生成、快速适应和学习,以及易于定制和集成到现有应用中。但是,临床医生也应认识到 LLMs 的局限性,尤其是在不准确性、隐私、责任、透明度和可解释性方面。临床医生必须抓住机遇,探索、参与和领导负责任的 LLM 整合,利用其潜力彻底改变患者护理,推动不断发展的医疗保健领域的进步。
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引用次数: 0
Case study - Feature engineering inspired by domain experts on real world medical data 案例研究-特征工程的灵感来自领域专家对现实世界的医疗数据
Pub Date : 2023-01-01 DOI: 10.1016/j.ibmed.2023.100110
Olof Björneld , Martin Carlsson , Welf Löwe

To perform data mining projects for knowledge discovery based on health data produced in a daily health care stored in electronic health records (EHR) can be time consuming. This study exemplifies that the involvement of a data scientist improves classification performances. We have performed a case study that comprises two real world medical research projects, comparing feature engineering and knowledge discovery based on classification performance. Project (P1) comprised 82,742 patients with the research question “Can we predict patient falls by use of EHR data” and the second project (P2) included 23,396 patients with the focus on “Negative side effects of antiepileptic drug consumption on bone structure”.

The results concluded three salient results. (i) It is valuable for medical researchers to involve a data scientist when medical research based on real world medical data is performed. The findings were justified with an analysis of classification metrics when iteratively engineered features were used. The features were generated from domain experts and computer scientists in collaboration with medical researchers. We gave this process the name domain knowledge-driven feature engineering (KDFE).

To evaluate the classification performance the metric area under the receiver operating characteristic curve (AUROC) was used. (ii) Domain experts are benefited in quantitative terms by KDFE. When KDFE was compared to baseline, the average classification performance measured by AUROC for the engineered features rose for P1 from 0.62 to 0.82 and for P2 from 0.61 to 0.89 (p-values << 0.001). (iii) The engineered features were represented in a systematic structure, which is the foundation of a theoretical model for automated KDFE (aKDFE).

To our knowledge, this is the first study that proves that via quantitative measures KDFE adds value to real-world. However, the method is not limited to the medical domain. Other areas with similar data properties should also benefit from KDFE.

基于存储在电子健康记录(EHR)中的日常医疗保健中产生的健康数据来执行用于知识发现的数据挖掘项目可能是耗时的。这项研究表明,数据科学家的参与可以提高分类性能。我们进行了一个案例研究,包括两个真实世界的医学研究项目,比较了特征工程和基于分类性能的知识发现。项目(P1)包括82742名患者,研究问题是“我们能利用EHR数据预测患者跌倒吗”,第二个项目(P2)包括23396名患者,重点是“服用抗癫痫药物对骨结构的负面副作用”。(i) 当基于真实世界医学数据进行医学研究时,让数据科学家参与进来对医学研究人员来说是很有价值的。当使用迭代设计的特征时,通过对分类指标的分析来证明这些发现是合理的。这些特征是由领域专家和计算机科学家与医学研究人员合作生成的。我们将这一过程称为名称域知识驱动特征工程(KDFE)。为了评估分类性能,我们使用了接收器工作特性曲线下的度量区域(AUROC)。(ii)KDFE在数量方面使领域专家受益。当将KDFE与基线进行比较时,AUROC测量的工程特征的平均分类性能P1从0.62上升到0.82,P2从0.61上升到0.89(p值<;<;0.001)。(iii)工程特征以系统结构表示,这是自动化KDFE(aKDFE)理论模型的基础。据我们所知,这是第一项通过定量测量证明KDFE为现实世界增加价值的研究。然而,该方法并不局限于医学领域。具有类似数据属性的其他区域也应该从KDFE中受益。
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引用次数: 0
Machine learning for metabolomics research in drug discovery 药物发现中代谢组学研究的机器学习
Pub Date : 2023-01-01 DOI: 10.1016/j.ibmed.2023.100101
Dominic D. Martinelli

In a pharmaceutical context, metabolomics is an underexplored area of research. Nevertheless, its utility in clinical pathology, biomarker discovery, metabolic subtyping, and prognosis has transformed medicine. As this young domain evolves, its promise as an approach to drug discovery becomes more evident. It has established links between human phenotypes and quantitative biochemical parameters, enabling the construction of genome-scale metabolic networks. While the human metabolome is too vast for manual analysis, machine learning (ML) algorithms can efficiently recognize latent patterns in complex, large sets of metabolic data. ML-driven studies of the human metabolome and its constituents can inform efforts to reduce the quantity of resources spent at critical stages of the pipeline by facilitating target identification, mechanism of action elucidation, lead discovery, off-target effect evaluation, and in vivo response prediction. Metabolism-informed ML models generate insights that significantly advance efforts to reduce attrition rates and optimize drug efficacy. While applications of more advanced ML methods in studies of human metabolism are just beginning to form a body of literature, they have yielded promising results with implications for data-driven drug discovery.

在药物背景下,代谢组学是一个未被充分探索的研究领域。然而,它在临床病理学、生物标志物发现、代谢亚型和预后方面的应用已经改变了医学。随着这一年轻领域的发展,其作为药物发现方法的前景变得更加明显。它在人类表型和定量生化参数之间建立了联系,从而能够构建基因组规模的代谢网络。虽然人类代谢组太庞大,无法进行手动分析,但机器学习(ML)算法可以有效地识别复杂的大型代谢数据集中的潜在模式。ML驱动的人类代谢组及其成分研究可以通过促进靶点识别、作用机制阐明、线索发现、脱靶效应评估和体内反应预测,为减少管道关键阶段的资源消耗提供信息。基于代谢的ML模型产生了显著推动降低损耗率和优化药物疗效的见解。虽然更先进的ML方法在人类代谢研究中的应用才刚刚开始形成一系列文献,但它们已经产生了有希望的结果,对数据驱动的药物发现具有启示意义。
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引用次数: 1
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Intelligence-based medicine
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