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Attention-Guided 3D CNN With Lesion Feature Selection for Early Alzheimer's Disease Prediction Using Longitudinal sMRI 利用纵向 sMRI 通过病变特征选择进行早期阿尔茨海默病预测的注意力引导 3D CNN。
IF 6.7 2区 医学 Q1 COMPUTER SCIENCE, INFORMATION SYSTEMS Pub Date : 2024-10-16 DOI: 10.1109/JBHI.2024.3482001
Jinwei Liu;Yashu Xu;Yi Liu;Huating Luo;Wenxiang Huang;Lizhong Yao
Predicting the progression from mild cognitive impairment (MCI) to Alzheimer's disease (AD) is critical for early intervention. Towards this end, various deep learning models have been applied in this domain, typically relying on structural magnetic resonance imaging (sMRI) data from a single time point whereas neglecting the dynamic changes in brain structure over time. Current longitudinal studies inadequately explore disease evolution dynamics and are burdened by high computational complexity. This paper introduces a novel lightweight 3D convolutional neural network specifically designed to capture the evolution of brain diseases for modeling the progression of MCI. First, a longitudinal lesion feature selection strategy is proposed to extract core features from temporal data, facilitating the detection of subtle differences in brain structure between two time points. Next, to refine the model for a more concentrated emphasis on lesion features, a disease trend attention mechanism is introduced to learn the dependencies between overall disease trends and local variation features. Finally, disease prediction visualization techniques are employed to improve the interpretability of the final predictions. Extensive experiments demonstrate that the proposed model achieves state-of-the-art performance in terms of area under the curve (AUC), accuracy, specificity, precision, and F1 score. This study confirms the efficacy of our early diagnostic method, utilizing only two follow-up sMRI scans to predict the disease status of MCI patients 24 months later with an AUC of 79.03%.
预测从轻度认知障碍(MCI)到阿尔茨海默病(AD)的进展对于早期干预至关重要。为此,各种深度学习模型已被应用于这一领域,它们通常依赖于单个时间点的结构性磁共振成像(sMRI)数据,而忽略了大脑结构随时间的动态变化。目前的纵向研究对疾病的动态演化探索不足,且计算复杂度高。本文介绍了一种新型轻量级三维卷积神经网络,专门用于捕捉脑部疾病的演变过程,为 MCI 的进展建模。首先,本文提出了一种纵向病变特征选择策略,从时间数据中提取核心特征,便于检测两个时间点之间大脑结构的细微差别。接下来,为了完善模型,使其更加侧重于病变特征,引入了疾病趋势关注机制,以学习整体疾病趋势和局部变异特征之间的依赖关系。最后,采用疾病预测可视化技术来提高最终预测结果的可解释性。广泛的实验证明,所提出的模型在曲线下面积(AUC)、准确率、特异性、精确度和 F1 分数方面都达到了最先进的水平。这项研究证实了我们的早期诊断方法的有效性,仅利用两次随访 sMRI 扫描就能预测 MCI 患者 24 个月后的疾病状态,AUC 为 79.03%。
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引用次数: 0
Interpretable Multi-Branch Architecture for Spatiotemporal Neural Networks and Its Application in Seizure Prediction 时空神经网络的可解释多分支架构及其在癫痫发作预测中的应用
IF 6.7 2区 医学 Q1 COMPUTER SCIENCE, INFORMATION SYSTEMS Pub Date : 2024-10-15 DOI: 10.1109/JBHI.2024.3481005
Baolian Shan;Haiqing Yu;Yongzhi Huang;Minpeng Xu;Dong Ming
Currently, spatiotemporal convolutional neural networks (CNNs) for electroencephalogram (EEG) signals have emerged as promising tools for seizure prediction (SP), which explore the spatiotemporal biomarkers in an epileptic brain. Generally, these CNNs capture spatiotemporal features at single spectral resolution. However, epileptiform EEG signals contain irregular neural oscillations of different frequencies in different brain regions. Therefore, it may be underperforming and uninterpretable for the CNNs without capturing complex spectral properties sufficiently. This study proposed a novel interpretable multi-branch architecture for spatiotemporal CNNs, namely MultiSincNet. On the one hand, the MultiSincNet could directly show the frequency boundaries using the interpretable sinc-convolution layers. On the other hand, it could extract and integrate multiple spatiotemporal features across varying spectral resolutions using parallel branches. Moreover, we also constructed a post-hoc explanation technique for multi-branch CNNs, using the first- order Taylor expansion and chain rule based on the multivariate composite function, which demonstrates the crucial spatiotemporal features learned by the proposed multi-branch spatiotemporal CNN. When combined with the optimal MultiSincNet, ShallowConvNet, DeepConvNet, and EEGWaveNet had significantly improved the subject-specific performance on most metrics. Specifically, the optimal MultiSincNet significantly increased the average accuracy, sensitivity, specificity, binary F1-score, weighted F1-score, and AUC of EEGWaveNet by about 7%, 8%, 7%, 8%, 7%, and 7%, respectively. Besides, the visualization results showed that the optimal model mainly extracts the spectral energy difference from the high gamma band focalized to specific spatial areas as the dominant spatiotemporal EEG feature.
目前,用于脑电图(EEG)信号的时空卷积神经网络(CNN)已成为癫痫发作预测(SP)的有前途的工具,它可以探索癫痫患者大脑中的时空生物标记。一般来说,这些 CNN 可捕捉单频谱分辨率的时空特征。然而,痫样脑电图信号包含不同脑区不同频率的不规则神经振荡。因此,如果不能充分捕捉复杂的频谱特性,CNN 可能会表现不佳且无法解读。本研究为时空 CNN 提出了一种新颖的可解释多分支架构,即 MultiSincNet。一方面,MultiSincNet 可以利用可解释 sinc-convolution 层直接显示频率边界。另一方面,它可以利用并行分支提取和整合不同光谱分辨率的多个时空特征。此外,我们还利用基于多变量复合函数的一阶泰勒扩展和链式规则,构建了多分支 CNN 的事后解释技术,从而展示了所提出的多分支时空 CNN 所学习到的关键时空特征。当与最优 MultiSincNet 结合使用时,ShallowConvNet、DeepConvNet 和 EEGWaveNet 在大多数指标上都显著提高了特定对象的性能。具体来说,最优 MultiSincNet 使 EEGWaveNet 的平均准确率、灵敏度、特异性、二值 F1-score、加权 F1-score 和 AUC 分别大幅提高了约 7%、8%、7%、8%、7% 和 7%。此外,可视化结果表明,最佳模型主要提取了聚焦于特定空间区域的高伽马频带的频谱能量差作为主要的脑电图时空特征。
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引用次数: 0
Feature Separation in Diffuse Lung Disease Image Classification by Using Evolutionary Algorithm-Based NAS. 利用基于进化算法的 NAS 在弥漫性肺病图像分类中进行特征分离
IF 6.7 2区 医学 Q1 COMPUTER SCIENCE, INFORMATION SYSTEMS Pub Date : 2024-10-15 DOI: 10.1109/JBHI.2024.3481012
Qing Zhang, Dan Shao, Lin Lin, Guoliang Gong, Rui Xu, Shoji Kido, HongWei Cui

In the field of diagnosing lung diseases, the application of neural networks (NNs) in image classification exhibits significant potential. However, NNs are considered "black boxes," making it difficult to discern their decision-making processes, thereby leading to skepticism and concern regarding NNs. This compromises model reliability and hampers intelligent medicine's development. To tackle this issue, we introduce the Evolutionary Neural Architecture Search (EvoNAS). In image classification tasks, EvoNAS initially utilizes an Evolutionary Algorithm to explore various Convolutional Neural Networks, ultimately yielding an optimized network that excels at separating between redundant texture features and the most discriminative ones. Retaining the most discriminative features improves classification accuracy, particularly in distinguishing similar features. This approach illuminates the intrinsic mechanics of classification, thereby enhancing the accuracy of the results. Subsequently, we incorporate a Differential Evolution algorithm based on distribution estimation, significantly enhancing search efficiency. Employing visualization techniques, we demonstrate the effectiveness of EvoNAS, endowing the model with interpretability. Finally, we conduct experiments on the diffuse lung disease texture dataset using EvoNAS. Compared to the original network, the classification accuracy increases by 0.56%. Moreover, our EvoNAS approach demonstrates significant advantages over existing methods in the same dataset.

在肺部疾病诊断领域,神经网络(NN)在图像分类中的应用展现出巨大的潜力。然而,神经网络被认为是 "黑盒子",很难辨别其决策过程,从而导致对神经网络的怀疑和担忧。这损害了模型的可靠性,阻碍了智能医学的发展。为了解决这个问题,我们引入了进化神经架构搜索(EvoNAS)。在图像分类任务中,EvoNAS 最初利用进化算法探索各种卷积神经网络,最终生成一个优化网络,该网络擅长分离冗余纹理特征和最具区分度的特征。保留最具辨别力的特征可以提高分类的准确性,尤其是在区分相似特征方面。这种方法揭示了分类的内在机制,从而提高了分类结果的准确性。随后,我们采用了基于分布估计的差分进化算法,显著提高了搜索效率。利用可视化技术,我们展示了 EvoNAS 的有效性,赋予模型可解释性。最后,我们使用 EvoNAS 对弥漫性肺病纹理数据集进行了实验。与原始网络相比,分类准确率提高了 0.56%。此外,在相同的数据集上,我们的 EvoNAS 方法与现有方法相比具有显著优势。
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引用次数: 0
Agnostic-Specific Modality Learning for Cancer Survival Prediction from Multiple Data. 从多种数据中预测癌症生存期的不可知特定模式学习。
IF 6.7 2区 医学 Q1 COMPUTER SCIENCE, INFORMATION SYSTEMS Pub Date : 2024-10-15 DOI: 10.1109/JBHI.2024.3481310
Honglei Liu, Yi Shi, Ying Xu, Ao Li, Minghui Wang

Cancer is a pressing public health problem and one of the main causes of mortality worldwide. The development of advanced computational methods for predicting cancer survival is pivotal in aiding clinicians to formulate effective treatment strategies and improve patient quality of life. Recent advances in survival prediction methods show that integrating diverse information from various cancer-related data, such as pathological images and genomics, is crucial for improving prediction accuracy. Despite promising results of existing approaches, there are great challenges of modality gap and semantic redundancy presented in multiple cancer data, which could hinder the comprehensive integration and pose substantial obstacles to further enhancing cancer survival prediction. In this study, we propose a novel agnostic-specific modality learning (ASML) framework for accurate cancer survival prediction. To bridge the modality gap and provide a comprehensive view of distinct data modalities, we employ an agnostic-specific learning strategy to learn the commonality across modalities and the uniqueness of each modality. Moreover, a cross-modal fusion network is exerted to integrate multimodal information by modeling modality correlations and diminish semantic redundancy in a divide-and-conquer manner. Extensive experiment results on three TCGA datasets demonstrate that ASML reaches better performance than other existing cancer survival prediction methods for multiple data.

癌症是一个紧迫的公共卫生问题,也是全球死亡的主要原因之一。开发先进的癌症生存期预测计算方法对于帮助临床医生制定有效的治疗策略和提高患者生活质量至关重要。生存预测方法的最新进展表明,整合病理图像和基因组学等各种癌症相关数据中的不同信息对于提高预测准确性至关重要。尽管现有方法取得了可喜的成果,但多种癌症数据中存在的模态差距和语义冗余仍是巨大的挑战,这可能会阻碍全面整合,并对进一步提高癌症生存预测能力构成实质性障碍。在本研究中,我们提出了一种新颖的不可知论特定模式学习(ASML)框架,用于准确预测癌症生存率。为了弥合模态鸿沟并提供不同数据模态的综合视图,我们采用了一种不可知论特定学习策略来学习不同模态的共性和每种模态的独特性。此外,我们还利用跨模态融合网络,通过模态相关性建模来整合多模态信息,并以分而治之的方式减少语义冗余。在三个 TCGA 数据集上进行的广泛实验结果表明,ASML 在多数据癌症生存预测方面的性能优于其他现有方法。
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引用次数: 0
Joint Energy-based Model for Semi-supervised Respiratory Sound Classification: A Method of Insensitive to Distribution Mismatch. 基于联合能量的半监督呼吸声分类模型:一种对分布不匹配不敏感的方法
IF 6.7 2区 医学 Q1 COMPUTER SCIENCE, INFORMATION SYSTEMS Pub Date : 2024-10-15 DOI: 10.1109/JBHI.2024.3480999
Wenjie Song, Jiqing Han, Shiwen Deng, Tieran Zheng, Guibin Zheng, Yongjun He

Semi-supervised learning effectively mitigates the lack of labeled data by introducing extensive unlabeled data. Despite achieving success in respiratory sound classification, in practice, it usually takes years to acquire a sufficiently sizeable unlabeled set, which consequently results in an extension of the research timeline. Considering that there are also respiratory sounds available in other related tasks, like breath phase detection and COVID-19 detection, it might be an alternative manner to treat these external samples as unlabeled data for respiratory sound classification. However, since these external samples are collected in different scenarios via different devices, there inevitably exists a distribution mismatch between the labeled and external unlabeled data. For existing methods, they usually assume that the labeled and unlabeled data follow the same data distribution. Therefore, they cannot benefit from external samples. To utilize external unlabeled data, we propose a semi-supervised method based on Joint Energy-based Model (JEM) in this paper. During training, the method attempts to use only the essential semantic components within the samples to model the data distribution. When non-semantic components like recording environments and devices vary, as these non-semantic components have a small impact on the model training, a relatively accurate distribution estimation is obtained. Therefore, the method exhibits insensitivity to the distribution mismatch, enabling the model to leverage external unlabeled data to mitigate the lack of labeled data. Taking ICBHI 2017 as the labeled set, HF_Lung_V1 and COVID-19 Sounds as the external unlabeled sets, the proposed method exceeds the baseline by 12.86.

半监督学习通过引入大量非标记数据,有效缓解了标记数据不足的问题。尽管在呼吸声分类方面取得了成功,但在实践中,通常需要数年时间才能获得足够大的未标记数据集,从而导致研究时间的延长。考虑到在呼吸相位检测和 COVID-19 检测等其他相关任务中也存在呼吸声,将这些外部样本作为非标记数据用于呼吸声分类可能是一种替代方法。然而,由于这些外部样本是在不同场景下通过不同设备采集的,因此标注数据和外部非标注数据之间不可避免地存在分布不匹配的问题。对于现有的方法,它们通常假定标注数据和非标注数据遵循相同的数据分布。因此,它们无法从外部样本中获益。为了利用外部非标记数据,我们在本文中提出了一种基于联合能量模型(JEM)的半监督方法。在训练过程中,该方法只尝试使用样本中的基本语义成分来为数据分布建模。当记录环境和设备等非语义成分发生变化时,由于这些非语义成分对模型训练的影响较小,因此可以获得相对准确的分布估计。因此,该方法对分布失配不敏感,使模型能够利用外部非标注数据来缓解标注数据的不足。以 ICBHI 2017 为标注集,HF_Lung_V1 和 COVID-19 Sounds 为外部非标注集,提出的方法比基线高出 12.86。
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引用次数: 0
Aceso-DSAL: Discovering Clinical Evidences from Medical Literature Based on Distant Supervision and Active Learning. Aceso-DSAL:基于远程监督和主动学习从医学文献中发现临床证据
IF 6.7 2区 医学 Q1 COMPUTER SCIENCE, INFORMATION SYSTEMS Pub Date : 2024-10-15 DOI: 10.1109/JBHI.2024.3480998
Xiang Zhang, Jiaxin Hu, Qian Lu, Lu Niu, Xinqi Wang

Automatic extraction of valuable, structured evidence from the exponentially growing clinical trial literature can help physicians practice evidence-based medicine quickly and accurately. However, current research on evidence extraction has been limited by the lack of generalization ability on various clinical topics and the high cost of manual annotation. In this work, we address these challenges by constructing a PICO-based evidence dataset PICO-DS, covering five clinical topics. This dataset was automatically labeled by a distant supervision based on our proposed textual similarity algorithm called ROUGE-Hybrid. We then present an Aceso-DSAL model, an extension of our previous supervised evidence extraction model - Aceso. In Aceso-DSAL, distantly-labelled and multi-topic PICO-DS was exploited as training corpus, which greatly enhances the generalization of the extraction model. To mitigate the influence of noise unavoidably-introduced in distant supervision, we employ TextCNN and MW-Net models and a paradigm of active learning to weigh the value of each sample. We evaluate the effectiveness of our model on the PICO-DS dataset and find that it outperforms state-of-the-art studies in identifying evidential sentences.

从急剧增长的临床试验文献中自动提取有价值的结构化证据,有助于医生快速准确地实施循证医学。然而,由于缺乏对各种临床主题的概括能力以及人工标注的高成本,目前的证据提取研究一直受到限制。在这项工作中,我们通过构建一个基于 PICO 的证据数据集 PICO-DS,涵盖五个临床主题,来应对这些挑战。该数据集由我们提出的文本相似性算法 ROUGE-Hybrid 进行远距离监督自动标注。然后,我们提出了一个 Aceso-DSAL 模型,它是我们之前的监督证据提取模型 Aceso 的扩展。在Aceso-DSAL中,我们使用了远距离标签和多主题PICO-DS作为训练语料,这大大提高了提取模型的泛化能力。为了减轻远距离监督中不可避免地引入的噪声影响,我们采用了 TextCNN 和 MW-Net 模型以及主动学习范式来权衡每个样本的价值。我们在 PICO-DS 数据集上评估了我们模型的有效性,发现它在识别证据句子方面优于最先进的研究。
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引用次数: 0
Fall Detection Method Based on a Human Electrostatic Field and VMD-ECANet Architecture 基于人体静电场和 VMD-ECANet 架构的跌倒检测方法。
IF 6.7 2区 医学 Q1 COMPUTER SCIENCE, INFORMATION SYSTEMS Pub Date : 2024-10-15 DOI: 10.1109/JBHI.2024.3481237
Xi Chen;Jiaao Yan;Sichao Qin;Pengfei Li;Shuangqian Ning;Yuting Liu
Falls are one of the most serious health risks faced by older adults worldwide, and they can have a significant impact on their physical and mental well-being as well as their quality of life. Detecting falls promptly and accurately and providing assistance can effectively reduce the harm caused by falls to older adults. This paper proposed a noncontact fall detection method based on the human electrostatic field and a VMD-ECANet framework. An electrostatic measurement system was used to measure the electrostatic signals of four types of falling postures and five types of daily actions. The signals were randomly divided in proportion and by individuals to construct a training set and test set. A fall detection model based on the VMD-ECA network was proposed that decomposes electrostatic signals into modal component signals using the variational mode decomposition (VMD) technique. These signals were then fed into a multichannel convolutional neural network for feature extraction. Information fusion was achieved through the efficient channel attention network (ECANet) module. Finally, the extracted features were input into a classifier to obtain the output results. The constructed model achieved an accuracy of 96.44%. The proposed fall detection solution has several advantages, including being noncontact, cost-effective, and privacy friendly. It is suitable for detecting indoor falls by older individuals living alone and helps to reduce the harm caused by falls.
跌倒是全世界老年人面临的最严重的健康风险之一,会对老年人的身心健康和生活质量产生重大影响。及时准确地检测跌倒并提供帮助,可以有效减少跌倒对老年人造成的伤害。本文提出了一种基于人体静电场和 VMD-ECANet 框架的非接触式跌倒检测方法。使用静电测量系统测量了四种跌倒姿势和五种日常动作的静电信号。这些信号按比例和个体随机分配,以构建训练集和测试集。提出了一个基于 VMD-ECA 网络的跌倒检测模型,该模型利用变异模式分解(VMD)技术将静电信号分解为模态分量信号。然后将这些信号输入多通道卷积神经网络进行特征提取。信息融合通过高效通道注意网络(ECANet)模块实现。最后,将提取的特征输入分类器以获得输出结果。所构建模型的准确率达到 96.44%。所提出的跌倒检测解决方案有几个优点,包括非接触、成本效益高和隐私友好。它适用于检测独居老人的室内跌倒,有助于减少跌倒造成的伤害。
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引用次数: 0
TKR-FSOD: Fetal Anatomical Structure Few-Shot Detection Utilizing Topological Knowledge Reasoning TKR-FSOD:利用拓扑知识推理的胎儿解剖结构少拍检测。
IF 6.7 2区 医学 Q1 COMPUTER SCIENCE, INFORMATION SYSTEMS Pub Date : 2024-10-14 DOI: 10.1109/JBHI.2024.3480197
Xi Li;Ying Tan;Bocheng Liang;Bin Pu;Jiewen Yang;Lei Zhao;Yanqing Kong;Lixian Yang;Rentie Zhang;Hao Li;Shengli Li
Fetal multi-anatomical structure detection in ultrasound (US) images can clearly present the relationship and influence between anatomical structures, providing more comprehensive information about fetal organ structures and assisting sonographers in making more accurate diagnoses, widely used in structure evaluation. Recently, deep learning methods have shown superior performance in detecting various anatomical structures in ultrasound images, but still have the potential for performance improvement in categories where it is difficult to obtain samples, such as rare diseases. Few-shot learning has attracted a lot of attention in medical image analysis due to its ability to solve the problem of data scarcity. However, existing few-shot learning research in medical image analysis focuses on classification and segmentation, and the research on object detection has been neglected. In this paper, we propose a novel fetal anatomical structure few-shot detection method in ultrasound images, TKR-FSOD, which learns topological knowledge through a Topological Knowledge Reasoning Module to help the model reason about and detect anatomical structures. Furthermore, we propose a Discriminate Ability Enhanced Feature Learning Module that extracts abundant discriminative features to enhance the model's discriminative ability. Experimental results demonstrate that our method outperforms the state-of-the-art baseline methods, exceeding the second-best method with a maximum margin of 4.8% on 5-shot of split 1 under four-chamber cardiac view.
超声(US)图像中的胎儿多解剖结构检测可以清晰地呈现解剖结构之间的关系和影响,提供更全面的胎儿器官结构信息,帮助超声技师做出更准确的诊断,广泛应用于结构评估。最近,深度学习方法在检测超声图像中的各种解剖结构方面表现出了卓越的性能,但在罕见疾病等难以获得样本的类别中,其性能仍有提升的潜力。由于少数几次学习能够解决数据稀缺的问题,因此在医学图像分析领域引起了广泛关注。然而,现有的医学图像分析中的少数几次学习研究主要集中在分类和分割方面,对物体检测的研究一直被忽视。本文提出了一种新型的超声图像胎儿解剖结构少拍检测方法 TKR-FSOD,该方法通过拓扑知识推理模块学习拓扑知识,帮助模型推理和检测解剖结构。此外,我们还提出了判别能力增强特征学习模块,提取丰富的判别特征来增强模型的判别能力。实验结果表明,我们的方法优于最先进的基线方法,在 4CC 下对 split 1 的 5 次拍摄中,我们的方法以 4.8% 的最大余量超过了第二好的方法。代码可在以下网址公开获取:https://github.com/lixi92/TKR-FSOD。
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引用次数: 0
Self-Supervised Molecular Representation Learning With Topology and Geometry 利用拓扑学和几何学进行自我监督分子表征学习
IF 6.7 2区 医学 Q1 COMPUTER SCIENCE, INFORMATION SYSTEMS Pub Date : 2024-10-14 DOI: 10.1109/JBHI.2024.3479194
Xuan Zang;Junjie Zhang;Buzhou Tang
Molecular representation learning is of great importance for drug molecular analysis. The development in molecular representation learning has demonstrated great promise through self-supervised pre-training strategy to overcome the scarcity of labeled molecular property data. Recent studies concentrate on pre-training molecular representation encoders by integrating both 2D topological and 3D geometric structures. However, existing methods rely on molecule-level or atom-level alignment for different views, while overlooking hierarchical self-supervised learning to capture both inter-molecule and intra-molecule correlation. Additionally, most methods employ 2D or 3D encoders to individually extract molecular characteristics locally or globally for molecular property prediction. The potential for effectively fusing these two molecular representations remains to be explored. In this work, we propose a Multi-View Molecular Representation Learning method (MVMRL) for molecular property prediction. First, hierarchical pre-training pretext tasks are designed, including fine-grained atom-level tasks for 2D molecular graphs as well as coarse-grained molecule-level tasks for 3D molecular graphs to provide complementary information to each other. Subsequently, a motif-level fusion pattern of multi-view molecular representations is presented during fine-tuning to enhance the performance of molecular property prediction. We evaluate the effectiveness of the proposed MVMRL by comparing with state-of-the-art baselines on molecular property prediction tasks, and the experimental results demonstrate the superiority of MVMRL.
分子表征学习对药物分子分析具有重要意义。通过自监督预训练策略来克服标注分子特性数据稀缺的问题,分子表征学习的发展前景广阔。最近的研究集中于通过整合二维拓扑结构和三维几何结构来预训练分子表征编码器。然而,现有的方法依赖于分子级或原子级的不同视图配准,而忽略了捕捉分子间和分子内相关性的分层自监督学习。此外,大多数方法都采用二维或三维编码器来单独提取局部或全局的分子特征,以进行分子特性预测。有效融合这两种分子表征的潜力仍有待探索。在这项工作中,我们提出了一种用于分子特性预测的多视图分子表征学习方法(MVMRL)。首先,设计了分层预训练借口任务,包括针对二维分子图的细粒度原子级任务和针对三维分子图的粗粒度分子级任务,以提供互补信息。随后,在微调过程中提出了多视图分子表征的图案级融合模式,以提高分子性质预测的性能。我们通过在分子性质预测任务中与最先进的基线进行比较来评估所提出的 MVMRL 的有效性,实验结果证明了 MVMRL 的优越性。
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引用次数: 0
Hierarchical Graph Transformer With Contrastive Learning for Gene Regulatory Network Inference 用于基因调控网络推断的具有对比学习功能的层次图转换器
IF 6.7 2区 医学 Q1 COMPUTER SCIENCE, INFORMATION SYSTEMS Pub Date : 2024-10-14 DOI: 10.1109/JBHI.2024.3476490
Wentao Cui;Qingqing Long;Wenhao Liu;Chen Fang;Xuezhi Wang;Pengfei Wang;Yuanchun Zhou
Gene regulatory networks (GRNs) are crucial for understanding gene regulation and cellular processes. Inferring GRNs helps uncover regulatory pathways, shedding light on the regulation and development of cellular processes. With the rise of high-throughput sequencing and advancements in computational technology, computational models have emerged as cost-effective alternatives to traditional experimental studies. Moreover, the surge in ChIP-seq data for TF-DNA binding has catalyzed the development of graph neural network (GNN)-based methods, greatly advancing GRN inference capabilities. However, most existing GNN-based methods suffer from the inability to capture long-distance structural semantic correlations due to transitive interactions. In this paper, we introduce a novel GNN-based model named Hierarchical Graph Transformer with Contrastive Learning for GRN (HGTCGRN) inference. HGTCGRN excels at capturing structural semantics using a hierarchical graph Transformer, which introduces a series of gene family nodes representing gene functions as virtual nodes to interact with nodes in the GRNS. These semantic-aware virtual-node embeddings are aggregated to produce node representations with varying emphasis. Additionally, we leverage gene ontology information to construct gene interaction networks for contrastive learning optimization of GRNs. Experimental results demonstrate that HGTCGRN achieves superior performance in GRN inference.
基因调控网络(GRN)对于理解基因调控和细胞过程至关重要。推断基因调控网络有助于发现调控途径,揭示细胞过程的调控和发展。随着高通量测序技术的兴起和计算技术的进步,计算模型已成为传统实验研究的一种具有成本效益的替代方法。此外,针对 TF-DNA 结合的 ChIPseq 数据激增促进了基于图神经网络(GNN)方法的发展,大大提高了 GRN 推断能力。然而,大多数现有的基于图神经网络的方法都存在无法捕捉由传递性相互作用引起的长距离结构语义相关性的问题。在本文中,我们介绍了一种基于 GNN 的新型模型,名为 "基于对比学习的层次图转换器(Hierarchical Graph Transformer with Contrastive Learning for GRN,HGTCGRN)推断"。HGTCGRN 擅长利用层次图转换器捕捉结构语义,它引入了一系列代表基因功能的基因家族节点作为虚拟节点,与 GRNS 中的节点进行交互。这些具有语义意识的虚拟节点嵌入被聚合在一起,以产生具有不同侧重点的节点表示。此外,我们还利用基因本体信息来构建基因交互网络,以便对 GRN 进行对比学习优化。实验结果表明,HGTCGRN 在基因组网络推断方面表现出色。
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引用次数: 0
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IEEE Journal of Biomedical and Health Informatics
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