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The quest to share data. 对共享数据的追求。
IF 2.5 4区 医学 Q2 MATHEMATICAL & COMPUTATIONAL BIOLOGY Pub Date : 2025-03-19 eCollection Date: 2025-01-01 DOI: 10.3389/fninf.2025.1570568
Arthur W Toga, Sidney Taiko Sheehan, Tyler Ard

Data sharing in scientific research is widely acknowledged as crucial for accelerating progress and innovation. Mandates from funders, such as the NIH's updated Data Sharing Policy, have been beneficial in promoting data sharing. However, the effectiveness of such mandates relies heavily on the motivation of data providers. Despite policy-imposed requirements, many researchers may only comply minimally, resulting in data that is inadequately reusable. Here, we discuss the multifaceted challenges of incentivizing data sharing and the complex interplay of factors involved. Our paper delves into the motivations of various stakeholders, including funders, investigators, and data users, highlighting the differences in perspectives and concerns. We discuss the role of guidelines, such as the FAIR principles, in promoting good data management practices but acknowledge the practical and ethical challenges in implementation. We also examine the impact of infrastructure on data sharing effectiveness, emphasizing the need for systems that support efficient data discovery, access, and analysis. We address disparities in resources and expertise among researchers and concerns related to data misuse and misinterpretation. Here, we advocate for a holistic approach to incentivizing data sharing beyond mere compliance with mandates. It calls for the development of reward systems, financial incentives, and supportive infrastructure to encourage researchers to share data enthusiastically and effectively. By addressing these challenges collaboratively, the scientific community can realize the full potential of data sharing to advance knowledge and innovation.

科学研究中的数据共享被广泛认为是加速进步和创新的关键。来自资助者的授权,如NIH更新的数据共享政策,在促进数据共享方面是有益的。然而,这种授权的有效性在很大程度上取决于数据提供者的动机。尽管有政策强加的要求,但许多研究人员可能只是最低限度地遵守,从而导致数据无法充分重用。在这里,我们讨论了激励数据共享的多方面挑战以及所涉及因素的复杂相互作用。我们的论文深入研究了各种利益相关者的动机,包括资助者、调查人员和数据用户,突出了观点和关注点的差异。我们讨论了指导方针,如公平原则,在促进良好的数据管理实践中的作用,但承认在实施过程中存在实际和道德挑战。我们还研究了基础设施对数据共享有效性的影响,强调需要支持有效数据发现、访问和分析的系统。我们解决了研究人员在资源和专业知识方面的差异,以及与数据滥用和误解有关的问题。在这里,我们提倡采用一种全面的方法来激励数据共享,而不仅仅是遵守规定。它呼吁发展奖励制度、财政激励和支持性基础设施,以鼓励研究人员热情和有效地共享数据。通过合作应对这些挑战,科学界可以充分发挥数据共享促进知识和创新的潜力。
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引用次数: 0
Developing a multiscale neural connectivity knowledgebase of the autonomic nervous system. 建立自主神经系统的多尺度神经连接知识库。
IF 2.5 4区 医学 Q2 MATHEMATICAL & COMPUTATIONAL BIOLOGY Pub Date : 2025-03-14 eCollection Date: 2025-01-01 DOI: 10.3389/fninf.2025.1541184
Fahim T Imam, Thomas H Gillespie, Ilias Ziogas, Monique C Surles-Zeigler, Susan Tappan, Burak I Ozyurt, Jyl Boline, Bernard de Bono, Jeffrey S Grethe, Maryann E Martone

The Stimulating Peripheral Activity to Relieve Conditions (SPARC) program is a U.S. National Institutes of Health (NIH) funded effort to enhance our understanding of the neural circuitry responsible for visceral control. SPARC's mission is to identify, extract, and compile our overall existing knowledge and understanding of the autonomic nervous system (ANS) connectivity between the central nervous system and end organs. A major goal of SPARC is to use this knowledge to promote the development of the next generation of neuromodulation devices and bioelectronic medicine for nervous system diseases. As part of the SPARC program, we have been developing the SPARC Connectivity Knowledge Base of the Autonomic Nervous System (SCKAN), a dynamic resource containing information about the origins, terminations, and routing of ANS projections. The distillation of SPARC's connectivity knowledge into this knowledge base involves a rigorous curation process to capture connectivity information provided by experts, published literature, textbooks, and SPARC scientific data. SCKAN is used to automatically generate anatomical and functional connectivity maps on the SPARC portal. In this article, we present the design and functionality of SCKAN, including the detailed knowledge engineering process developed to populate the resource with high quality and accurate data. We discuss the process from both the perspective of SCKAN's ontological representation as well as its practical applications in developing information systems. We share our techniques, strategies, tools and insights for developing a practical knowledgebase of ANS connectivity that supports continual enhancement.

刺激外周活动以缓解疾病(SPARC)计划是美国国立卫生研究院(NIH)资助的一项努力,旨在加强我们对负责内脏控制的神经回路的理解。SPARC的任务是识别、提取和汇编我们对自主神经系统(ANS)连接中枢神经系统和终末器官的整体现有知识和理解。SPARC的一个主要目标是利用这些知识来促进下一代神经调节装置和神经系统疾病生物电子医学的发展。作为SPARC项目的一部分,我们一直在开发自主神经系统SPARC连接知识库(SCKAN),这是一个包含关于ANS投影的起源、终止和路由信息的动态资源。将SPARC的连接性知识提炼到这个知识库中涉及到一个严格的管理过程,以捕获专家、已发表的文献、教科书和SPARC科学数据提供的连接性信息。SCKAN用于在SPARC门户上自动生成解剖和功能连接图。在本文中,我们介绍了SCKAN的设计和功能,包括开发的详细知识工程过程,以填充高质量和准确的数据资源。我们从SCKAN的本体论表示及其在开发信息系统中的实际应用两方面讨论了这一过程。我们分享我们的技术、策略、工具和见解,以开发支持持续增强的ANS连接的实用知识库。
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引用次数: 0
FAIR African brain data: challenges and opportunities. FAIR非洲大脑数据:挑战与机遇。
IF 2.5 4区 医学 Q2 MATHEMATICAL & COMPUTATIONAL BIOLOGY Pub Date : 2025-03-03 eCollection Date: 2025-01-01 DOI: 10.3389/fninf.2025.1530445
Eberechi Wogu, George Ogoh, Patrick Filima, Barisua Nsaanee, Bradley Caron, Franco Pestilli, Damian Eke

Introduction: The effectiveness of research and innovation often relies on the diversity or heterogeneity of datasets that are Findable, Accessible, Interoperable and Reusable (FAIR). However, the global landscape of brain data is yet to achieve desired levels of diversity that can facilitate generalisable outputs. Brain datasets from low-and middle-income countries of Africa are still missing in the global open science ecosystem. This can mean that decades of brain research and innovation may not be generalisable to populations in Africa.

Methods: This research combined experiential learning or experiential research with a survey questionnaire. The experiential research involved deriving insights from direct, hands-on experiences of collecting African Brain data in view of making it FAIR. This was a critical process of action, reflection, and learning from doing data collection. A questionnaire was then used to validate the findings from the experiential research and provide wider contexts for these findings.

Results: The experiential research revealed major challenges to FAIR African brain data that can be categorised as socio-cultural, economic, technical, ethical and legal challenges. It also highlighted opportunities for growth that include capacity development, development of technical infrastructure, funding as well as policy and regulatory changes. The questionnaire then showed that the wider African neuroscience community believes that these challenges can be ranked in order of priority as follows: Technical, economic, socio-cultural and ethical and legal challenges.

Conclusion: We conclude that African researchers need to work together as a community to address these challenges in a way to maximise efforts and to build a thriving FAIR brain data ecosystem that is socially acceptable, ethically responsible, technically robust and legally compliant.

简介:研究和创新的有效性往往依赖于可查找、可访问、可互操作和可重用(FAIR)数据集的多样性或异质性。然而,大脑数据的全球格局尚未达到所需的多样性水平,从而促进可推广的产出。来自非洲低收入和中等收入国家的大脑数据集在全球开放科学生态系统中仍然缺失。这可能意味着数十年的大脑研究和创新可能无法推广到非洲人口。方法:本研究采用体验式学习或体验式研究与问卷调查相结合的方法。经验性研究涉及从收集非洲大脑数据的直接实践经验中获得见解,以使其公平。这是一个行动、反思和从数据收集中学习的关键过程。然后使用问卷来验证经验研究的结果,并为这些发现提供更广泛的背景。结果:经验性研究揭示了FAIR非洲大脑数据面临的主要挑战,这些挑战可分为社会文化、经济、技术、伦理和法律挑战。它还强调了增长机会,包括能力发展、技术基础设施发展、资金以及政策和监管变革。然后,调查问卷显示,更广泛的非洲神经科学界认为,这些挑战可以按优先顺序排列如下:技术、经济、社会文化、道德和法律挑战。结论:我们的结论是,非洲科学家需要作为一个社区共同努力,以一种最大限度地努力的方式来解决这些挑战,并建立一个繁荣的FAIR大脑数据生态系统,这个生态系统是社会可接受的、道德上负责任的、技术上健全的、法律上合规的。
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引用次数: 0
Impact of interferon-β and dimethyl fumarate on nonlinear dynamical characteristics of electroencephalogram signatures in patients with multiple sclerosis. 干扰素-β和富马酸二甲酯对多发性硬化症患者脑电图非线性动力学特征的影响。
IF 2.5 4区 医学 Q2 MATHEMATICAL & COMPUTATIONAL BIOLOGY Pub Date : 2025-02-28 eCollection Date: 2025-01-01 DOI: 10.3389/fninf.2025.1519391
Christopher Ivan Hernandez, Natalia Afek, Magda Gawłowska, Paweł Oświęcimka, Magdalena Fafrowicz, Agnieszka Slowik, Marcin Wnuk, Monika Marona, Klaudia Nowak, Kamila Zur-Wyrozumska, Mary Jean Amon, P A Hancock, Tadeusz Marek, Waldemar Karwowski

Introduction: Multiple sclerosis (MS) is an intricate neurological condition that affects many individuals worldwide, and there is a considerable amount of research into understanding the pathology and treatment development. Nonlinear analysis has been increasingly utilized in analyzing electroencephalography (EEG) signals from patients with various neurological disorders, including MS, and it has been proven to be an effective tool for comprehending the complex nature exhibited by the brain.

Methods: This study seeks to investigate the impact of Interferon-β (IFN-β) and dimethyl fumarate (DMF) on MS patients using sample entropy (SampEn) and Higuchi's fractal dimension (HFD) on collected EEG signals. The data were collected at Jagiellonian University in Krakow, Poland. In this study, a total of 175 subjects were included across the groups: IFN-β (n = 39), DMF (n = 53), and healthy controls (n = 83).

Results: The analysis indicated that each treatment group exhibited more complex EEG signals than the control group. SampEn had demonstrated significant sensitivity to the effects of each treatment compared to HFD, while HFD showed more sensitivity to changes over time, particularly in the DMF group.

Discussion: These findings enhance our understanding of the complex nature of MS, support treatment development, and demonstrate the effectiveness of nonlinear analysis methods.

简介:多发性硬化症(MS)是一种复杂的神经系统疾病,影响世界各地的许多人,在了解其病理和治疗发展方面有相当多的研究。非线性分析越来越多地用于分析包括多发性硬化症在内的各种神经系统疾病患者的脑电图(EEG)信号,并已被证明是理解大脑所表现出的复杂性的有效工具。方法:利用样本熵(SampEn)和Higuchi分形维数(HFD)分析干扰素-β (IFN-β)和富马酸二甲酯(DMF)对MS患者脑电图信号的影响。这些数据是在波兰克拉科夫的雅盖隆大学收集的。在这项研究中,共有175名受试者被纳入各组:IFN-β (n = 39), DMF (n = 53)和健康对照组(n = 83)。结果:各治疗组脑电图信号均较对照组复杂。与HFD相比,SampEn对每一种治疗效果都表现出显著的敏感性,而HFD对时间的变化更敏感,尤其是在DMF组。讨论:这些发现增强了我们对质谱复杂性的理解,支持了治疗方法的发展,并证明了非线性分析方法的有效性。
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引用次数: 0
Effect of natural and synthetic noise data augmentation on physical action classification by brain-computer interface and deep learning. 自然和合成噪声数据增强对脑机接口和深度学习物理动作分类的影响。
IF 2.5 4区 医学 Q2 MATHEMATICAL & COMPUTATIONAL BIOLOGY Pub Date : 2025-02-27 eCollection Date: 2025-01-01 DOI: 10.3389/fninf.2025.1521805
Yuri Gordienko, Nikita Gordienko, Vladyslav Taran, Anis Rojbi, Sergii Telenyk, Sergii Stirenko

Analysis of electroencephalography (EEG) signals gathered by brain-computer interface (BCI) recently demonstrated that deep neural networks (DNNs) can be effectively used for investigation of time sequences for physical actions (PA) classification. In this study, the relatively simple DNN with fully connected network (FCN) components and convolutional neural network (CNN) components was considered to classify finger-palm-hand manipulations each from the grasp-and-lift (GAL) dataset. The main aim of this study was to imitate and investigate environmental influence by the proposed noise data augmentation (NDA) of two kinds: (i) natural NDA by inclusion of noise EEG data from neighboring regions by increasing the sampling size N and the different offset values for sample labeling and (ii) synthetic NDA by adding the generated Gaussian noise. The natural NDA by increasing N leads to the higher micro and macro area under the curve (AUC) for receiver operating curve values for the bigger N values than usage of synthetic NDA. The detrended fluctuation analysis (DFA) was applied to investigate the fluctuation properties and calculate the correspondent Hurst exponents H for the quantitative characterization of the fluctuation variability. H values for the low time window scales (< 2 s) are higher in comparison with ones for the bigger time window scales. For example, H more than 2-3 times higher for some PAs, i.e., it means that the shorter EEG fragments (< 2 s) demonstrate the scaling behavior of the higher complexity than the longer fragments. As far as these results were obtained by the relatively small DNN with the low resource requirements, this approach can be promising for porting such models to Edge Computing infrastructures on devices with the very limited computational resources.

最近对脑机接口(BCI)采集的脑电图(EEG)信号的分析表明,深度神经网络(dnn)可以有效地用于研究物理动作(PA)分类的时间序列。在本研究中,考虑使用具有完全连接网络(FCN)组件和卷积神经网络(CNN)组件的相对简单的深度神经网络(DNN)对抓取和提升(GAL)数据集中的手指-手掌-手操作进行分类。本研究的主要目的是通过提出两种噪声数据增强(NDA)来模拟和研究环境影响:(i)通过增加采样大小N和不同偏移值来包含邻近区域的噪声脑电图数据的自然NDA和(ii)通过添加生成的高斯噪声来合成NDA。增加N的自然NDA与使用合成NDA相比,当N值较大时,受者工作曲线值的微观和宏观曲线下面积(AUC)均较高。采用去趋势波动分析(DFA)研究了波动特性,并计算了相应的Hurst指数H,定量表征了波动变异性。低时间窗尺度(< 2 s)的H值比大时间窗尺度的H值高。例如,对于某些pa, H高出2-3倍以上,即,这意味着较短的EEG片段(< 2 s)比较长的片段表现出更高复杂性的缩放行为。只要这些结果是由相对较小的DNN和低资源需求获得的,这种方法可以很有希望将这些模型移植到计算资源非常有限的设备上的边缘计算基础设施上。
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引用次数: 0
An action decoding framework combined with deep neural network for predicting the semantics of human actions in videos from evoked brain activities. 结合深度神经网络的动作解码框架,从诱发的大脑活动中预测视频中人类动作的语义。
IF 2.5 4区 医学 Q2 MATHEMATICAL & COMPUTATIONAL BIOLOGY Pub Date : 2025-02-19 eCollection Date: 2025-01-01 DOI: 10.3389/fninf.2025.1526259
Yuanyuan Zhang, Manli Tian, Baolin Liu

Introduction: Recently, numerous studies have focused on the semantic decoding of perceived images based on functional magnetic resonance imaging (fMRI) activities. However, it remains unclear whether it is possible to establish relationships between brain activities and semantic features of human actions in video stimuli. Here we construct a framework for decoding action semantics by establishing relationships between brain activities and semantic features of human actions.

Methods: To effectively use a small amount of available brain activity data, our proposed method employs a pre-trained image action recognition network model based on an expanding three-dimensional (X3D) deep neural network framework (DNN). To apply brain activities to the image action recognition network, we train regression models that learn the relationship between brain activities and deep-layer image features. To improve decoding accuracy, we join by adding the nonlocal-attention mechanism module to the X3D model to capture long-range temporal and spatial dependence, proposing a multilayer perceptron (MLP) module of multi-task loss constraint to build a more accurate regression mapping approach and performing data enhancement through linear interpolation to expand the amount of data to reduce the impact of a small sample.

Results and discussion: Our findings indicate that the features in the X3D-DNN are biologically relevant, and capture information useful for perception. The proposed method enriches the semantic decoding model. We have also conducted several experiments with data from different subsets of brain regions known to process visual stimuli. The results suggest that semantic information for human actions is widespread across the entire visual cortex.

简介最近,许多研究都在关注基于功能磁共振成像(fMRI)活动的感知图像语义解码。然而,是否有可能在大脑活动与视频刺激中人类动作的语义特征之间建立关系,目前仍不清楚。在此,我们通过建立大脑活动与人类动作语义特征之间的关系,构建了一个解码动作语义的框架:为了有效利用少量可用的大脑活动数据,我们提出的方法采用了基于扩展三维(X3D)深度神经网络框架(DNN)的预训练图像动作识别网络模型。为了将脑部活动应用于图像动作识别网络,我们训练回归模型,学习脑部活动与深层图像特征之间的关系。为了提高解码准确性,我们在 X3D 模型中加入了非局部注意机制模块,以捕捉长程时空依赖性;提出了多任务损失约束的多层感知器(MLP)模块,以构建更精确的回归映射方法;并通过线性插值进行数据增强,以扩大数据量,减少小样本的影响:我们的研究结果表明,X3D-DNN 中的特征与生物相关,并捕获了对感知有用的信息。所提出的方法丰富了语义解码模型。我们还利用已知可处理视觉刺激的不同脑区子集的数据进行了多项实验。结果表明,人类行动的语义信息广泛存在于整个视觉皮层。
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引用次数: 0
Contrastive self-supervised learning for neurodegenerative disorder classification. 神经退行性疾病分类的对比自监督学习。
IF 2.5 4区 医学 Q2 MATHEMATICAL & COMPUTATIONAL BIOLOGY Pub Date : 2025-02-17 eCollection Date: 2025-01-01 DOI: 10.3389/fninf.2025.1527582
Vadym Gryshchuk, Devesh Singh, Stefan Teipel, Martin Dyrba

Introduction: Neurodegenerative diseases such as Alzheimer's disease (AD) or frontotemporal lobar degeneration (FTLD) involve specific loss of brain volume, detectable in vivo using T1-weighted MRI scans. Supervised machine learning approaches classifying neurodegenerative diseases require diagnostic-labels for each sample. However, it can be difficult to obtain expert labels for a large amount of data. Self-supervised learning (SSL) offers an alternative for training machine learning models without data-labels.

Methods: We investigated if the SSL models can be applied to distinguish between different neurodegenerative disorders in an interpretable manner. Our method comprises a feature extractor and a downstream classification head. A deep convolutional neural network, trained with a contrastive loss, serves as the feature extractor that learns latent representations. The classification head is a single-layer perceptron that is trained to perform diagnostic group separation. We used N = 2,694 T1-weighted MRI scans from four data cohorts: two ADNI datasets, AIBL and FTLDNI, including cognitively normal controls (CN), cases with prodromal and clinical AD, as well as FTLD cases differentiated into its phenotypes.

Results: Our results showed that the feature extractor trained in a self-supervised way provides generalizable and robust representations for the downstream classification. For AD vs. CN, our model achieves 82% balanced accuracy on the test subset and 80% on an independent holdout dataset. Similarly, the Behavioral variant of frontotemporal dementia (BV) vs. CN model attains an 88% balanced accuracy on the test subset. The average feature attribution heatmaps obtained by the Integrated Gradient method highlighted hallmark regions, i.e., temporal gray matter atrophy for AD, and insular atrophy for BV.

Conclusion: Our models perform comparably to state-of-the-art supervised deep learning approaches. This suggests that the SSL methodology can successfully make use of unannotated neuroimaging datasets as training data while remaining robust and interpretable.

神经退行性疾病,如阿尔茨海默病(AD)或额颞叶变性(FTLD)涉及特异性脑容量损失,在体内使用t1加权MRI扫描可检测到。有监督的机器学习方法分类神经退行性疾病需要每个样本的诊断标签。然而,为大量数据获取专家标签是很困难的。自监督学习(SSL)为训练没有数据标签的机器学习模型提供了另一种选择。方法:我们研究了SSL模型是否可以以一种可解释的方式应用于区分不同的神经退行性疾病。我们的方法包括一个特征提取器和一个下游分类头。使用对比损失训练的深度卷积神经网络作为学习潜在表征的特征提取器。分类头是一个单层感知器,它被训练来执行诊断组分离。我们使用了来自四个数据队列的N = 2,694个t1加权MRI扫描:两个ADNI数据集,AIBL和FTLDNI,包括认知正常对照(CN),前驱和临床AD病例,以及分化为其表型的FTLD病例。结果:我们的研究结果表明,以自监督方式训练的特征提取器为下游分类提供了可泛化和鲁棒的表示。对于AD和CN,我们的模型在测试子集上达到82%的平衡精度,在独立的holdout数据集上达到80%。同样,额颞叶痴呆(BV)与CN模型的行为变异在测试子集上达到88%的平衡准确性。综合梯度法得到的平均特征属性热图突出了AD的特征区域,即颞叶灰质萎缩,BV的特征区域为岛状萎缩。结论:我们的模型的表现与最先进的监督深度学习方法相当。这表明SSL方法可以成功地利用未注释的神经成像数据集作为训练数据,同时保持鲁棒性和可解释性。
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引用次数: 0
Quantitative evaluation method of stroke association based on multidimensional gait parameters by using machine learning. 基于多维步态参数的脑卒中关联定量评价方法。
IF 2.5 4区 医学 Q2 MATHEMATICAL & COMPUTATIONAL BIOLOGY Pub Date : 2025-02-12 eCollection Date: 2025-01-01 DOI: 10.3389/fninf.2025.1544372
Cheng Wang, Zhou Long, Xiang-Dong Wang, You-Qi Kong, Li-Chun Zhou, Wei-Hua Jia, Pei Li, Jing Wang, Xiao-Juan Wang, Tian Tian

Objective: NIHSS for stroke is widely used in clinical, but it is complex and subjective. The purpose of the study is to present a quantitative evaluation method of stroke association based on multi-dimensional gait parameters by using machine learning.

Methods: 39 ischemic stroke patients with hemiplegia were selected as the stroke group and 187 healthy adults from the community as the control group. Gaitboter system was used for gait analysis. Through the labeling of stroke patients by clinicians with NIHSS score, all gait parameters obtained were used to select appropriate gait parameters. By using machine learning algorithm, a discriminant model and a hierarchical model were trained.

Results: The discriminant model was used to distinguish between healthy people and stroke patients. The overall detection accuracy of the model based on KNN, SVM and Randomforest algorithms is 92.86, 92.86 and 90.00%, respectively. The hierarchical model was used to judge the severity of stroke in stroke patients. The model based on Randomforest, SVM and AdaBoost algorithm had an overall detection accuracy of 71.43, 85.71 and 85.71%, respectively.

Conclusion: The proposed stroke association quantitative evaluation method based on multi-dimensional gait parameters has the characteristics of high accuracy, objectivity, and quantification.

目的:NIHSS治疗脑卒中临床应用广泛,但具有复杂性和主观性。本研究的目的是利用机器学习,提出一种基于多维步态参数的脑卒中关联定量评价方法。方法:选取39例缺血性脑卒中偏瘫患者作为脑卒中组,187例社区健康成人作为对照组。步态分析采用Gaitboter系统。临床医生通过NIHSS评分对脑卒中患者进行标记,利用获得的所有步态参数选择合适的步态参数。利用机器学习算法,训练了判别模型和层次模型。结果:采用判别模型对健康人与脑卒中患者进行区分。基于KNN、SVM和Randomforest算法的模型整体检测准确率分别为92.86、92.86和90.00%。采用层次模型对脑卒中患者的脑卒中严重程度进行判断。基于随机森林、支持向量机和AdaBoost算法的模型总体检测准确率分别为71.43、85.71和85.71%。结论:提出的基于多维步态参数的脑卒中关联定量评价方法具有准确性高、客观性强、定量化强的特点。
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引用次数: 0
The classification of absence seizures using power-to-power cross-frequency coupling analysis with a deep learning network. 利用功率对功率交叉频率耦合分析和深度学习网络对缺勤发作进行分类。
IF 2.5 4区 医学 Q2 MATHEMATICAL & COMPUTATIONAL BIOLOGY Pub Date : 2025-02-10 eCollection Date: 2025-01-01 DOI: 10.3389/fninf.2025.1513661
A V Medvedev, B Lehmann

High frequency oscillations are important novel biomarkers of epileptic tissue. The interaction of oscillations across different time scales is revealed as cross-frequency coupling (CFC) representing a high-order structure in the functional organization of brain rhythms. Power-to-power coupling (PPC) is one form of coupling with significant research attesting to its neurobiological significance as well as its computational efficiency, yet has been hitherto unexplored within seizure classification literature. New artificial intelligence methods such as deep learning neural networks can provide powerful tools for automated analysis of EEG. Here we present a Stacked Sparse Autoencoder (SSAE) trained to classify absence seizure activity based on this important form of cross-frequency patterns within scalp EEG. The analysis is done on the EEG records from the Temple University Hospital database. Absence seizures (n = 94) from 12 patients were taken into analysis along with segments of background activity. Power-to-power coupling was calculated between all frequencies 2-120 Hz pairwise using the EEGLAB toolbox. The resulting CFC matrices were used as training or testing inputs to the autoencoder. The trained network was able to recognize background and seizure segments (not used in training) with a sensitivity of 93.1%, specificity of 99.5% and overall accuracy of 96.8%. The results provide evidence both for (1) the relevance of PPC for seizure classification, as well as (2) the efficacy of an approach combining PPC with SSAE neural networks for automated classification of absence seizures within scalp EEG.

高频振荡是癫痫组织重要的新型生物标志物。跨时间尺度振荡的相互作用揭示为交叉频率耦合(CFC),代表了脑节律功能组织中的高阶结构。功率-功率耦合(PPC)是一种具有重要研究证明其神经生物学意义和计算效率的耦合形式,但迄今为止尚未在癫痫分类文献中进行探索。新的人工智能方法,如深度学习神经网络,可以为脑电图的自动分析提供强大的工具。在这里,我们提出了一个堆叠稀疏自编码器(SSAE)训练来分类缺席癫痫发作活动基于这种重要形式的交叉频率模式在头皮脑电图。分析是在天普大学医院数据库的脑电图记录上完成的。12例患者的失神发作(n = 94)与背景活动片段一起被纳入分析。使用EEGLAB工具箱计算所有频率2-120 Hz之间的功率-功率耦合。得到的CFC矩阵被用作自动编码器的训练或测试输入。训练后的网络能够识别背景和癫痫片段(未用于训练),灵敏度为93.1%,特异性为99.5%,总体准确率为96.8%。这些结果为(1)PPC与癫痫发作分类的相关性,以及(2)将PPC与SSAE神经网络相结合的方法用于头皮脑电图中癫痫发作的自动分类提供了证据。
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引用次数: 0
Identifying natural inhibitors against FUS protein in dementia through machine learning, molecular docking, and dynamics simulation. 通过机器学习、分子对接和动力学模拟鉴定痴呆中FUS蛋白的天然抑制剂。
IF 2.5 4区 医学 Q2 MATHEMATICAL & COMPUTATIONAL BIOLOGY Pub Date : 2025-02-05 eCollection Date: 2024-01-01 DOI: 10.3389/fninf.2024.1439090
Darwin Li

Dementia, a complex and debilitating spectrum of neurodegenerative diseases, presents a profound challenge in the quest for effective treatments. The FUS protein is well at the center of this problem, as it is frequently dysregulated in the various disorders. We chose a route of computational work that involves targeting natural inhibitors of the FUS protein, offering a novel treatment strategy. We first reviewed the FUS protein's framework; early forecasting models using the AlphaFold2 and SwissModel algorithms indicated a loop-rich protein-a structure component correlating with flexibility. However, these models showed limitations, as reflected by inadequate ERRAT and Verify3D scores. Seeking enhanced accuracy, we turned to the I-TASSER suite, which delivered a refined structural model affirmed by robust validation metrics. With a reliable model in hand, our study utilized machine learning techniques, particularly the Random Forest algorithm, to navigate through a vast dataset of phytochemicals. This led to the identification of nimbinin, dehydroxymethylflazine, and several other compounds as potential FUS inhibitors. Notably, dehydroxymethylflazine and cleroindicin C identified during molecular docking analyses-facilitated by AutoDock Vina-for their high binding affinities and stability in interaction with the FUS protein, as corroborated by extensive molecular dynamics simulations. Originating from medicinal plants, these compounds are not only structurally compatible with the target protein but also adhere to pharmacokinetic profiles suitable for drug development, including optimal molecular weight and LogP values conducive to blood-brain barrier penetration. This computational exploration paves the way for subsequent experimental validation and highlights the potential of these natural compounds as innovative agents in the treatment of dementia.

痴呆症是一种复杂的、使人衰弱的神经退行性疾病,对寻求有效治疗提出了深刻的挑战。FUS蛋白是这个问题的核心,因为它在各种疾病中经常失调。我们选择了一条计算工作路线,包括靶向FUS蛋白的天然抑制剂,提供了一种新的治疗策略。我们首先回顾了FUS蛋白的结构;使用AlphaFold2和SwissModel算法的早期预测模型显示了一种富含环的蛋白质-一种与灵活性相关的结构成分。然而,这些模型显示出局限性,ERRAT和Verify3D评分不足。为了提高准确性,我们转向I-TASSER套件,该套件提供了经过稳健验证指标确认的精致结构模型。有了一个可靠的模型,我们的研究利用机器学习技术,特别是随机森林算法,来浏览大量的植物化学物质数据集。这导致了nimbinin, dehydroxymethylflazine和其他几种化合物作为潜在的FUS抑制剂的鉴定。值得注意的是,在AutoDock vina的分子对接分析中,dehydroxymethylflazine和cleroindicin C被鉴定出具有高结合亲和力和与FUS蛋白相互作用的稳定性,这一点得到了广泛的分子动力学模拟的证实。这些化合物来源于药用植物,不仅在结构上与靶蛋白相容,而且具有适合药物开发的药代动力学特征,包括有利于穿透血脑屏障的最佳分子量和LogP值。这一计算探索为随后的实验验证铺平了道路,并强调了这些天然化合物作为治疗痴呆症的创新药物的潜力。
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引用次数: 0
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Frontiers in Neuroinformatics
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