深度学习方法在生物质谱及蛋白质组学中的应用

深度学习是近年来机器学习领域最热门的研究方向,尤其是在图像及语音识别、自然语言处理、自动驾驶等方面取得了突破性进展．生物质谱是当今生命科学领域重要的研究工具,尤其在蛋白质组学、代谢组学、生物制药等领域发挥着关键作用．近年来,基于深度学习方法的发展,以生物质谱为核心的蛋白质组学大数据分析将迎来发展新契机．本文综述了深度学习方法在生物质谱数据解析及蛋白质组学研究方面的最新应用．     

深度学习在野生动物保护中的应用

野生动物是重要的生物资源之一,但是人类活动的增加和自然环境的恶化严重威胁着野生动物的生存。而深度学习已经成为人工智能领域重点研究方向之一,被广泛应用于各个学科领域,其灵活性使得它在野生动物保护中的图像识别、监测和音频识别等方面展现出了巨大的潜力。本文介绍了几种常见的深度学习算法,综述了不同深度学习模型在野生动物保护中的应用,分析了目前存在的问题及挑战,包括有限的训练数据、环境条件的多变性以及野生动物行为的复杂性等。在未来利用深度学习保护野生动物,除了要解决数据获取和利用、图像的抗干扰等方面的挑战外,还需开发更加稳健和高效的深度学习模型,以满足野生动物保护的特殊需求。     

基于机器学习的风景园林智能化分析应用研究

机器学习使实现数据的智能化处理及充分利用数据中蕴含的知识与价值成为可能。探索基于机器学习在风景园林领域智能化分析应用的途径,开展3个实验。其中2个与数据分析研究相关,提出基于调研图像色彩聚类分析的城市色彩印象和基于图像识别技术的景观视觉质量评估与网络应用平台部署实验。最后1个实验与数字化设计创作相关,提出用于设计方案遴选的地形生成方法,包括2个子项目：应用深度学习生成对抗网络（GAN）的地形生成和建立遮罩、预测未知区域的高程。3个实验应用到机器学习中分类、聚类和回归3个主要方向中的算法以及深度学习的生成对抗网络,对传统的研究问题提出了基于机器学习新的研究方法。因此,在应用机器学习风景园林领域,可以有效地从多源数据中学习相互增强的知识,发现问题,并提出解决问题的新方法。     

深度学习在药物活性预测研究中的应用

药物从研发到临床应用需要耗费较长的时间，研发期间的投入成本可高达十几亿元。而随着医药研发与人工智能的结合以及生物信息学的飞速发展，药物活性相关数据急剧增加，传统的实验手段进行药物活性预测已经难以满足药物研发的需求。借助算法来辅助药物研发，解决药物研发中的各种问题能够大大推动药物研发进程。传统机器学习方法尤其是随机森林、支持向量机和人工神经网络在药物活性方面能够达到较高的预测精度。深度学习由于具有多层神经网络，模型可以接收高维的输入变量且不需要人工限定数据输入特征，可以拟合较为复杂的函数模型，应用于药物研发可以进一步提高各个环节的效率。在药物活性预测中应用较为广泛的深度学习模型主要是深度神经网络（deep neural networks，DNN）、循环神经网络（recurrent neural networks，RNN）和自编码器（auto encoder，AE），而生成对抗网络（generative adversarial networks，GAN）由于其生成数据的能力常常被用来和其他模型结合进行数据增强。近年来深度学习在药物分子活性预测方面的研究和应用综述表明，深度学习模型的准确度和效率均高于传统实验方法和传统机器学习方法。因此，深度学习模型有望成为药物研发领域未来十年最重要的辅助计算模型。     

建立信息化的中医和针灸临床研究：孟德尔遗传定律的发现过程给我们的提示

中医和针灸是中国古人在观察人的基本生理病理机制和治疗人类疾病的实践中,提炼出的朴素的医学理论,它是在中国古代哲学和原始的医学实践相融合的基础上而形成的。现代针灸研究表明,古老的中医针灸理论中积累了许多经得起现代医学检验的临床实践。然而,还有许多中医针灸理论和临床经验需要进行深入的科学探讨。近年来,现代生物信息学把现代生物医学推向了基因组和后基因组的时代。计算机在生物学中的应用,大大地拓展了生物医学研究的深度和广度。一系列以数学模式和统计学为基础的,新的数据分析方法,使现代生物学的亮点从分析局部效应（Reductionism）,走向系统整合（Systems Integration）,提高了科学研究结果在临床实际中的应用性和可重复性。这些新的生物信息学方法,可以帮助中医针灸在保持其特色的前提下,引入新的以数学为基础的数据分析方法,增大临床研究样本的积累,提高研究效率和数据整合。     

数字信号处理在生物医学工程中的应用

数字信号处理技术一诞生就显示了强大的生命力,展现了极为广阔的应用前景.主要讨论数字信号处理技术中小波分析、人工神经网络、维格纳分布在生物医学工程中的应用,并对数字信号处理技术在生物医学工程中的应用前景进行了展望.     

Excel在药学数据分析工作中的应用

目的：采用常用的电子表格处理系统Microsoft Excel解决药学实验过程中遇到的数据分析问题。方法：应用工作表函数中内置的统计函数,以线性回归为例说明源数据的输入与结果返回的具体操作过程;对数据分析工具中的＂描述统计＂工具、t检验与方差分析,结合具体实例对药学实践中遇到的药学统计实际问题进行综合探讨。结果：用Excel表中内置的统计函数工具进行线性回归分析,方法简单、结果可靠;Excel表中的数据分析工具适用于日常药学实验数据分析过程中遇到的描述统计分析、t检验与方差分析。Excel与其它数据处理软件相比具有操作快捷、使用方便、计算精确、易于学习与掌握等优点。结论：Excel友好的界面,清晰的统计分析结果,使医药工作者在使用Excel的数据分析软件时会感到非常的方便快捷,灵活实用,值得在药学实践中应用推广。     

基因转录表达数据的生物信息挖掘研究

基因表达是生物体中最重要和最基础的生物学过程和分子活动,生物体正是通过调控不同基因表达而实现生长发育和抵御刺激等生命活动.转录组测序是目前在生物医学研究中应用最为广泛的高通量检测基因表达的技术,也促进了大量针对转录组数据的生物信息挖掘方法和工具的发展.本文就基因表达中的转录组数据分析和挖掘方法进行了综述,从已有大规模转录组数据资源、转录组数据的常规分析、癌症转录组分析、转录组新技术和分析等生物信息方法方面进行了总结;同时,阐述了基于转录组数据的疾病标志物发现和分类预测模型研究方法,对正在兴起和迅速发展的单细胞转录组和空间转录组及其分析方法也进行了介绍;最后,总结了转录组测序适用的研究问题和分析内容及工具.本文将有助于广大生物医学研究者快速了解转录组技术的分析内容和适用情况,为选择合适的转录组测序和分析方法提供参考.     

光声成像及其在生物医学中的应用

光声成像是一种新近迅速发展起来、基于生物组织内部光学吸收差异、以超声作媒介的无损生物光子成像方法,它结合了纯光学成像的高对比度特性和纯超声成像的高穿透深度特性的优点,以超声探测器探测光声波代替光学成像中的光子检测,从原理上避开了光学散射的影响,可以提供高对比度和高分辨率的组织影像,为研究生物组织的结构形态、生理特征、代谢功能、病理特征等提供了重要手段,在生物医学临床诊断以及在体组织结构和功能成像领域具有广泛的应用前景.对光声成像技术的机理、光声成像技术和方法、光声图像重建算法以及光声成像在生物医学上的应用情况作一个简单介绍,希望有助于推动我国在该领域的科研和开发应用工作的迅速发展.     

基因功能富集分析的研究进展

基因功能的富集分析已成为高通量组学数据分析的常规手段,对于揭示生物医学分子机制具有重要意义.目前已有上百种基因功能富集分析的方法和工具.根据所解决的问题和算法的原理,这些方法可大体分为过代表分析、功能集打分、基于通路拓扑结构和基于网络拓扑结构4大类.本文对这4大类方法的原理及其中的典型方法进行了综述,并讨论了基因功能富集分析结果的冗余性问题及建立标准数据集的必要性.     

Deep Learning and Its Applications in Biomedicine

Advances in biological and medical technologies have been providing us explosive volumes of biological and physiological data, such as medical images, electroencephalography, genomic and protein sequences. Learning from these data facilitates the understanding of human health and disease. Developed from artificial neural networks, deep learning-based algorithms show great promise in extracting features and learning patterns from complex data. The aim of this paper is to provide an overview of deep learning techniques and some of the state-of-the-art applications in the biomedical field. We first introduce the development of artificial neural network and deep learning. We then describe two main components of deep learning, i.e., deep learning architectures and model optimization. Subsequently, some examples are demonstrated for deep learning applications, including medical image classification, genomic sequence analysis, as well as protein structure classification and prediction. Finally, we offer our perspectives for the future directions in the field of deep learning.     

Deep learning a boon for biophotonics?

This review covers original articles using deep learning in the biophotonic field published in the last years. In these years deep learning, which is a subset of machine learning mostly based on artificial neural network geometries, was applied to a number of biophotonic tasks and has achieved state‐of‐the‐art performances. Therefore, deep learning in the biophotonic field is rapidly growing and it will be utilized in the next years to obtain real‐time biophotonic decision‐making systems and to analyze biophotonic data in general. In this contribution, we discuss the possibilities of deep learning in the biophotonic field including image classification, segmentation, registration, pseudostaining and resolution enhancement. Additionally, we discuss the potential use of deep learning for spectroscopic data including spectral data preprocessing and spectral classification. We conclude this review by addressing the potential applications and challenges of using deep learning for biophotonic data.     

Deep learning for computational biology

Technological advances in genomics and imaging have led to an explosion of molecular and cellular profiling data from large numbers of samples. This rapid increase in biological data dimension and acquisition rate is challenging conventional analysis strategies. Modern machine learning methods, such as deep learning, promise to leverage very large data sets for finding hidden structure within them, and for making accurate predictions. In this review, we discuss applications of this new breed of analysis approaches in regulatory genomics and cellular imaging. We provide background of what deep learning is, and the settings in which it can be successfully applied to derive biological insights. In addition to presenting specific applications and providing tips for practical use, we also highlight possible pitfalls and limitations to guide computational biologists when and how to make the most use of this new technology.     

Nonnegative matrix factorization: an analytical and interpretive tool in computational biology

In the last decade, advances in high-throughput technologies such as DNA microarrays have made it possible to simultaneously measure the expression levels of tens of thousands of genes and proteins. This has resulted in large amounts of biological data requiring analysis and interpretation. Nonnegative matrix factorization (NMF) was introduced as an unsupervised, parts-based learning paradigm involving the decomposition of a nonnegative matrix V into two nonnegative matrices, W and H, via a multiplicative updates algorithm. In the context of a pxn gene expression matrix V consisting of observations on p genes from n samples, each column of W defines a metagene, and each column of H represents the metagene expression pattern of the corresponding sample. NMF has been primarily applied in an unsupervised setting in image and natural language processing. More recently, it has been successfully utilized in a variety of applications in computational biology. Examples include molecular pattern discovery, class comparison and prediction, cross-platform and cross-species analysis, functional characterization of genes and biomedical informatics. In this paper, we review this method as a data analytical and interpretive tool in computational biology with an emphasis on these applications.     

元基因组学及其在转化医学中的应用

微生物群落遍布于人体的每个角落,与人共生并对人体健康产生重要和深刻的影响。与人类共生的全部微生物的基因组总和称为“元基因组”或“人类第二基因组”。研究人体微生物群落及相关元基因组数据,对转化医学领域的基础研究和临床应用具有重要的价值。通过对生物医学相关的高通量元基因组数据进行分析,不仅能为基础医学研究向医学临床应用转化提供新思路和新方法,而且具有广阔的应用前景。基于新一代测序技术产生的数据,元基因组分析技术和方法能够弥补以往人体微生物先培养后鉴定方法的缺陷,同时能有效鉴定和分析微生物群落的组成及功能,从而进一步探究和揭示微生物群落与机体生理状态之间的关系,为解决许多医学领域的难题提供了全新的切入角度和思维方法。文章系统介绍了元基因组研究的现状,包括元基因组的方法概念和研究进展,并以元基因组在医学研究中的应用为着眼点,综述了元基因组在转化医学方面的研究进展,进一步阐述了元基因组研究在转化医学应用领域中具有的重要地位。     

Distributed medical image analysis and diagnosis through crowd-sourced games: a malaria case study

In this work we investigate whether the innate visual recognition and learning capabilities of untrained humans can be used in conducting reliable microscopic analysis of biomedical samples toward diagnosis. For this purpose, we designed entertaining digital games that are interfaced with artificial learning and processing back-ends to demonstrate that in the case of binary medical diagnostics decisions (e.g., infected vs. uninfected), with the use of crowd-sourced games it is possible to approach the accuracy of medical experts in making such diagnoses. Specifically, using non-expert gamers we report diagnosis of malaria infected red blood cells with an accuracy that is within 1.25% of the diagnostics decisions made by a trained medical professional.     

AI applications to medical images: From machine learning to deep learning

PurposeArtificial intelligence (AI) models are playing an increasing role in biomedical research and healthcare services. This review focuses on challenges points to be clarified about how to develop AI applications as clinical decision support systems in the real-world context.MethodsA narrative review has been performed including a critical assessment of articles published between 1989 and 2021 that guided challenging sections.ResultsWe first illustrate the architectural characteristics of machine learning (ML)/radiomics and deep learning (DL) approaches. For ML/radiomics, the phases of feature selection and of training, validation, and testing are described. DL models are presented as multi-layered artificial/convolutional neural networks, allowing us to directly process images. The data curation section includes technical steps such as image labelling, image annotation (with segmentation as a crucial step in radiomics), data harmonization (enabling compensation for differences in imaging protocols that typically generate noise in non-AI imaging studies) and federated learning. Thereafter, we dedicate specific sections to: sample size calculation, considering multiple testing in AI approaches; procedures for data augmentation to work with limited and unbalanced datasets; and the interpretability of AI models (the so-called black box issue). Pros and cons for choosing ML versus DL to implement AI applications to medical imaging are finally presented in a synoptic way.ConclusionsBiomedicine and healthcare systems are one of the most important fields for AI applications and medical imaging is probably the most suitable and promising domain. Clarification of specific challenging points facilitates the development of such systems and their translation to clinical practice.     

miniTUBA: medical inference by network integration of temporal data using Bayesian analysis

MOTIVATION: Many biomedical and clinical research problems involve discovering causal relationships between observations gathered from temporal events. Dynamic Bayesian networks are a powerful modeling approach to describe causal or apparently causal relationships, and support complex medical inference, such as future response prediction, automated learning, and rational decision making. Although many engines exist for creating Bayesian networks, most require a local installation and significant data manipulation to be practical for a general biologist or clinician. No software pipeline currently exists for interpretation and inference of dynamic Bayesian networks learned from biomedical and clinical data. RESULTS: miniTUBA is a web-based modeling system that allows clinical and biomedical researchers to perform complex medical/clinical inference and prediction using dynamic Bayesian network analysis with temporal datasets. The software allows users to choose different analysis parameters (e.g. Markov lags and prior topology), and continuously update their data and refine their results. miniTUBA can make temporal predictions to suggest interventions based on an automated learning process pipeline using all data provided. Preliminary tests using synthetic data and laboratory research data indicate that miniTUBA accurately identifies regulatory network structures from temporal data. AVAILABILITY: miniTUBA is available at http://www.minituba.org.     

A web service for biomedical term look-up

Recent years have seen a huge increase in the amount of biomedical information that is available in electronic format. Consequently, for biomedical researchers wishing to relate their experimental results to relevant data lurking somewhere within this expanding universe of on-line information, the ability to access and navigate biomedical information sources in an efficient manner has become increasingly important. Natural language and text processing techniques can facilitate this task by making the information contained in textual resources such as MEDLINE more readily accessible and amenable to computational processing. Names of biological entities such as genes and proteins provide critical links between different biomedical information sources and researchers' experimental data. Therefore, automatic identification and classification of these terms in text is an essential capability of any natural language processing system aimed at managing the wealth of biomedical information that is available electronically. To support term recognition in the biomedical domain, we have developed Termino, a large-scale terminological resource for text processing applications, which has two main components: first, a database into which very large numbers of terms can be loaded from resources such as UMLS, and stored together with various kinds of relevant information; second, a finite state recognizer, for fast and efficient identification and mark-up of terms within text. Since many biomedical applications require this functionality, we have made Termino available to the community as a web service, which allows for its integration into larger applications as a remotely located component, accessed through a standardized interface over the web.     

抗癌药物作用预测计算方法的研究现状与展望

对精准医疗即个体化医疗理念的探讨与实践是当下医学研究的热门课题,如果精准医疗的设想实现可为患者提供更加精确有效的治疗方案,而对癌症的研究是医学界尚未攻破且意义重大的研究课题,也是和精准医疗结合最密切的课题之一。应用生物信息学的计算方法可以通过分析患者的概况来为癌症患者的药物选择提供有效方案,从而提高癌症患者的生存率。通过参考多篇使用计算方法研究抗癌药物作用的研究成果,从数据源和网络分析、机器学习和深度学习等计算方法两个方面总结了当前的研究成果,并对该课题存在的问题与未来发展趋势做出了分析与展望。