Differential expression analyses for single-cell RNA-Seq: old questions on new data

Background: Single-cell RNA sequencing (scRNA-seq) is an emerging technology that enables high resolution detection of heterogeneities between cells. One important application of scRNA-seq data is to detect differential expression (DE) of genes. Currently, some researchers still use DE analysis methods developed for bulk RNA-Seq data on single-cell data, and some new methods for scRNA-seq data have also been developed. Bulk and single-cell RNA-seq data have different characteristics. A systematic evaluation of the two types of methods on scRNA-seq data is needed. Results: In this study, we conducted a series of experiments on scRNA-seq data to quantitatively evaluate 14 popular DE analysis methods, including both of traditional methods developed for bulk RNA-seq data and new methods specifically designed for scRNA-seq data. We obtained observations and recommendations for the methods under different situations. Conclusions: DE analysis methods should be chosen for scRNA-seq data with great caution with regard to different situations of data. Different strategies should be taken for data with different sample sizes and/or different strengths of the expected signals. Several methods for scRNA-seq data show advantages in some aspects, and DEGSeq tends to outperform other methods with respect to consistency, reproducibility and accuracy of predictions on scRNA-seq data.     

A Data Characterization Framework for Material Flow Analysis

The validity of material flow analyses (MFAs) depends on the available information base, that is, the quality and quantity of available data. MFA data are cross‐disciplinary, can have varying formats and qualities, and originate from heterogeneous sources, such as official statistics, scientific models, or expert estimations. Statistical methods for data evaluation are most often inadequate, because MFA data are typically isolated values rather than extensive data sets. In consideration of the properties of MFA data, a data characterization framework for MFA is presented. It consists of an MFA data terminology, a data characterization matrix, and a procedure for database analysis. The framework facilitates systematic data characterization by cell‐level tagging of data with data attributes. Data attributes represent data characteristics and metainformation regarding statistical properties, meaning, origination, and application of the data. The data characterization framework is illustrated in a case study of a national phosphorus budget. This work furthers understanding of the information basis of material flow systems, promotes the transparent documentation and precise communication of MFA input data, and can be the foundation for better data interpretation and comprehensive data quality evaluation.     

Is DIA proteomics data FAIR? Current data sharing practices,available bioinformatics infrastructure and recommendations for the future

Data independent acquisition (DIA) proteomics techniques have matured enormously in recent years, thanks to multiple technical developments in, for example, instrumentation and data analysis approaches. However, there are many improvements that are still possible for DIA data in the area of the FAIR (Findability, Accessibility, Interoperability and Reusability) data principles. These include more tailored data sharing practices and open data standards since public databases and data standards for proteomics were mostly designed with DDA data in mind. Here we first describe the current state of the art in the context of FAIR data for proteomics in general, and for DIA approaches in particular. For improving the current situation for DIA data, we make the following recommendations for the future: (i) development of an open data standard for spectral libraries; (ii) make mandatory the availability of the spectral libraries used in DIA experiments in ProteomeXchange resources; (iii) improve the support for DIA data in the data standards developed by the Proteomics Standards Initiative; and (iv) improve the support for DIA datasets in ProteomeXchange resources, including more tailored metadata requirements.     

Framework for modelling data uncertainty in life cycle inventories

Modelling data uncertainty is not common practice in life cycle inventories (LCI), although different techniques are available for estimating and expressing uncertainties, and for propagating the uncertainties to the final model results. To clarify and stimulate the use of data uncertainty assessments in common LCI practice, the SETAC working group ‘Data Availability and Quality’ presents a framework for data uncertainty assessment in LCI. Data uncertainty is divided in two categories: (1) lack of data, further specified as complete lack of data (data gaps) and a lack of representative data, and (2) data inaccuracy. Filling data gaps can be done by input-output modelling, using information for similar products or the main ingredients of a product, and applying the law of mass conservation. Lack of temporal, geographical and further technological correlation between the data used and needed may be accounted for by applying uncertainty factors to the non-representative data. Stochastic modelling, which can be performed by Monte Carlo simulation, is a promising technique to deal with data inaccuracy in LCIs.     

Approaches for Addressing Life Cycle Assessment Data Gaps for Bio‐based Products

There is an increasing need for life cycle data for bio‐based products, which becomes particularly evident with the recent drive for greenhouse gas reporting and carbon footprinting studies. Meeting this need is challenging given that many bio‐products have not yet been studied by life cycle assessment (LCA), and those that have are specific and limited to certain geographic regions. In an attempt to bridge data gaps for bio‐based products, LCA practitioners can use either proxy data sets (e.g., use existing environmental data for apples to represent pears) or extrapolated data (e.g., derive new data for pears by modifying data for apples considering pear‐specific production characteristics). This article explores the challenges and consequences of using these two approaches. Several case studies are used to illustrate the trade‐offs between uncertainty and the ease of application, with carbon footprinting as an example. As shown, the use of proxy data sets is the quickest and easiest solution for bridging data gaps but also has the highest uncertainty. In contrast, data extrapolation methods may require extensive expert knowledge and are thus harder to use but give more robust results in bridging data gaps. They can also provide a sound basis for understanding variability in bio‐based product data. If resources (time, budget, and expertise) are limited, the use of averaged proxy data may be an acceptable compromise for initial or screening assessments. Overall, the article highlights the need for further research on the development and validation of different approaches to bridging data gaps for bio‐based products.     

Enabling Big Geoscience Data Analytics with a Cloud-Based,MapReduce-Enabled and Service-Oriented Workflow Framework

Geoscience observations and model simulations are generating vast amounts of multi-dimensional data. Effectively analyzing these data are essential for geoscience studies. However, the tasks are challenging for geoscientists because processing the massive amount of data is both computing and data intensive in that data analytics requires complex procedures and multiple tools. To tackle these challenges, a scientific workflow framework is proposed for big geoscience data analytics. In this framework techniques are proposed by leveraging cloud computing, MapReduce, and Service Oriented Architecture (SOA). Specifically, HBase is adopted for storing and managing big geoscience data across distributed computers. MapReduce-based algorithm framework is developed to support parallel processing of geoscience data. And service-oriented workflow architecture is built for supporting on-demand complex data analytics in the cloud environment. A proof-of-concept prototype tests the performance of the framework. Results show that this innovative framework significantly improves the efficiency of big geoscience data analytics by reducing the data processing time as well as simplifying data analytical procedures for geoscientists.     

Data Quality

A methodology is presented to develop and analyze vectors of data quality attribute scores. Each data quality vector component represents the quality of the data element for a specific attribute (e.g., age of data). Several methods for aggregating the components of data quality vectors to derive one data quality indicator (DQI) that represents the total quality associated with the input data element are presented with illustrative examples. The methods are compared and it is proven that the measure of central tendency, or arithmetic average, of the data quality vector components as a percentage of the total quality range attainable is an equivalent measure for the aggregate DQI. In addition, the methodology is applied and compared to realworld LCA data pedigree matrices. Finally, a method for aggregating weighted data quality vector attributes is developed and an illustrative example is presented. This methodology provides LCA practitioners with an approach to increase the precision of input data uncertainty assessments by selecting any number of data quality attributes with which to score the LCA inventory model input data. The resultant vector of data quality attributes can then be analyzed to develop one aggregate DQI for each input data element for use in stochastic LCA modeling.     

Fuzzy clustering of fuzzy ecological data

Besides the problem of searching for effective methods for data analysis there are some additional problems with handling data of high uncertainty. Uncertainty problems often arise in an analysis of ecological data, e.g. in the cluster analysis of ecological data. Conventional clustering methods based on Boolean logic ignore the continuous nature of ecological variables and the uncertainty of ecological data. That can result in misclassification or misinterpretation of the data structure. Clusters with fuzzy boundaries reflect better the continuous character of ecological features. But the problem is, that the common clustering methods (like the fuzzy c-means method) are only designed for treating crisp data, that means they provide a fuzzy partition only for crisp data (e.g. exact measurement data). This paper presents the extension and implementation of the method of fuzzy clustering of fuzzy data proposed by Yang and Liu [Yang, M.-S. and Liu, H-H, 1999. Fuzzy clustering procedures for conical fuzzy vector data. Fuzzy Sets and Systems, 106, 189-200.]. The imprecise data can be defined as multidimensional fuzzy sets with not sharply formed boundaries (in the form of the so-called conical fuzzy vectors). They can then be used for the fuzzy clustering together with crisp data. That can be particularly useful when information is not available about the variances which describe the accuracy of the data and probabilistic approaches are impossible. The method proposed by Yang has been extended and implemented for the Fuzzy Clustering System EcoFucs developed at the University of Kiel. As an example, the paper presents the fuzzy cluster analysis of chemicals according to their ecotoxicological properties. The uncertainty and imprecision of ecotoxicological data are very high because of the use of various data sources, various investigation tests and the difficulty of comparing these data. The implemented method can be very helpful in searching for an adequate partition of ecological data into clusters with similar properties.     

The Genome Sequence Archive Family: Toward Explosive Data Growth and Diverse Data Types

The Genome Sequence Archive (GSA) is a data repository for archiving raw sequence data, which provides data storage and sharing services for worldwide scientific communities. Considering explosive data growth with diverse data types, here we present the GSA family by expanding into a set of resources for raw data archive with different purposes, namely, GSA (https://ngdc.cncb.ac.cn/gsa/), GSA for Human (GSA-Human, https://ngdc.cncb.ac.cn/gsa-human/), and Open Archive for Miscellaneous Data (OMIX, https://ngdc.cncb.ac.cn/omix/). Compared with the 2017 version, GSA has been significantly updated in data model, online functionalities, and web interfaces. GSA-Human, as a new partner of GSA, is a data repository specialized in human genetics-related data with controlled access and security. OMIX, as a critical complement to the two resources mentioned above, is an open archive for miscellaneous data. Together, all these resources form a family of resources dedicated to archiving explosive data with diverse types, accepting data submissions from all over the world, and providing free open access to all publicly available data in support of worldwide research activities.     

The Importance of Human Data in the Establishment of Occupational Exposure Limits

The use of animal vs. human data for the purposes of establishing human risk was examined for four pharmaceutical compounds: acetylsalicylic acid, cyclophosphamide, indomethacin and clofibric acid. Literature searches were conducted to identify preclinical and clinical data useful for the derivation of acceptable daily intakes (ADIs) from which a number of risk values including occupational exposure limits (OELs) could be calculated. OELs were calculated using human data and then again using animal data exclusively. For two compounds, ASA and clofibric acid use of animal data alone led to higher OELs (not health protective), while for indomethacin and cyclophosphamide use of animal data resulted in the same or lower OELs based on human data alone. In each case arguments were made for why the use of human data was preferred. The results of the analysis support a basic principle of risk assessment that all available data be considered     

create: a software to create input files from diploid genotypic data for 52 genetic software programs

create is a Windows program for the creation of new and conversion of existing data input files for 52 genetic data analysis software programs. Programs are grouped into areas of sibship reconstruction, parentage assignment, genetic data analysis, and specialized applications. create is able to read in data from text, Microsoft Excel and Access sources and allows the user to specify columns containing individual and population identifiers, birth and death data, sex data, relationship information, and spatial location data. create's only constraints on source data are that one individual is contained in one row, and the genotypic data is contiguous. create is available for download at http://www.lsc.usgs.gov/CAFL/Ecology/Software.html.     

外来物种入侵大数据采集方法的建立与应用

为准确、快速地获取入侵生物野外调查数据, 我们基于全球卫星导航系统、地理信息系统、移动互联网等现代信息技术提出了外来物种入侵大数据采集方法, 设计并研发了数据表单可自定义的野外调查工具软件——云采集。该系统以Android手机为数据采集终端, 采用C#和Java语言设计开发, 运用卫星导航定位技术实现野外调查发生位置的快速采集, 通过定义9种调查指标的数据类型及指标(列值)默认值、图像拍摄、语音录入、排序等4个辅助属性, 建立调查指标与手机客户端数据录入界面的关联, 实现用户界面可定制的数据录入模式。该系统在国家重点研发项目、福建省科技重大专项及福建省红火蚁(Solenopsis invicta)疫情普查等项目的调查任务中予以应用。实践检验表明: 该系统实现了野外调查数据的离线采集、数据同步、数据查询与输出管理, 将移动智能终端采集取代传统的纸笔记录, 简化了野外调查的流程, 提高了入侵生物野外调查的数据质量, 为外来生物入侵野外调查大数据采集提供了信息化支持。     

Bioinformatics tools for the study of microbial diversity

Although computers are capable of storing a huge amount of data, there is a need for more sophisticated software to assemble and organize raw data into useful information for dissemination. Therefore we developed tools that assist in gathering and categorizing data for the study of microbial diversity and systematics. The first tool is for data retrieval from heterogeneous data sources on the INTERNET. The second tool provides researchers with a polyphasic view of microbes based on phenotypic characteristics and molecular sequence data.     

On the Impact of Parametric Assumptions and Robust Alternatives for Longitudinal Data Analysis

Models for longitudinal data are employed in a wide range of behavioral, biomedical, psychosocial, and health‐care‐related research. One popular model for continuous response is the linear mixed‐effects model (LMM). Although simulations by recent studies show that LMM provides reliable estimates under departures from the normality assumption for complete data, the invariable occurrence of missing data in practical studies renders such robustness results less useful when applied to real study data. In this paper, we show by simulated studies that in the presence of missing data estimates of the fixed effect of LMM are biased under departures from normality. We discuss two robust alternatives, the weighted generalized estimating equations (WGEE) and the augmented WGEE (AWGEE), and compare their performances with LMM using real as well as simulated data. Our simulation results show that both WGEE and AWGEE provide valid inference for skewed non‐normal data when missing data follows the missing at random, the most popular missing data mechanism for real study data.     

A posteriori quality control for the curation and reuse of public proteomics data

Proteomics is a rapidly expanding field encompassing a multitude of complex techniques and data types. To date much effort has been devoted to achieving the highest possible coverage of proteomes with the aim to inform future developments in basic biology as well as in clinical settings. As a result, growing amounts of data have been deposited in publicly available proteomics databases. These data are in turn increasingly reused for orthogonal downstream purposes such as data mining and machine learning. These downstream uses however, need ways to a posteriori validate whether a particular data set is suitable for the envisioned purpose. Furthermore, the (semi-)automatic curation of repository data is dependent on analyses that can highlight misannotation and edge conditions for data sets. Such curation is an important prerequisite for efficient proteomics data reuse in the life sciences in general. We therefore present here a selection of quality control metrics and approaches for the a posteriori detection of potential issues encountered in typical proteomics data sets. We illustrate our metrics by relying on publicly available data from the Proteomics Identifications Database (PRIDE), and simultaneously show the usefulness of the large body of PRIDE data as a means to derive empirical background distributions for relevant metrics.     

Analysis of repeatability in spotted cDNA microarrays

We report a strategy for analysis of data quality in cDNA microarrays based on the repeatability of repeatedly spotted clones. We describe how repeatability can be used to control data quality by developing adaptive filtering criteria for microarray data containing clones spotted in multiple spots. We have applied the method on five publicly available cDNA microarray data sets and one previously unpublished data set from our own laboratory. The results demonstrate the feasibility of the approach as a foundation for data filtering, and indicate a high degree of variation in data quality, both across the data sets and between arrays within data sets.     

面向生态系统评估的多源数据融合体系

基于生态系统服务功能的生态系统评估是识别生态环境问题、开展生态系统恢复和生物多样性保护、建立生态补偿机制的重要基础,也是保障国家生态安全、推进生态文明建设的重要环节。生态系统评估涉及生态系统多个方面,需要多要素、多类型、多尺度的生态系统观测数据作为支撑。地面观测数据和遥感数据是生态系统评估的两大数据源,但是其在使用时常存在观测标准不一、观测要素不全面、时间连续性不足、尺度不匹配等问题,给生态系统评估增加了极大的不确定性。如何融合不同尺度的观测数据量化生态系统服务功能是实现生态系统准确评估的关键。为此,从观测尺度出发,阐述了地面观测数据、近地面遥感数据、机载遥感数据和卫星遥感数据的特点及其在问题,并综述了这几类数据源进行融合的常用方法,并以生产力、固碳能力、生物多样性几个关键生态参数为例介绍了“基于多源数据融合的生态系统评估技术及其应用研究”项目的多源数据融合体系。最后,总结面向生态系统评估的多源数据融合体系,并指出了该研究的未来发展方向。     

Integrating specimen databases and revisionary systematics

Arguments are presented for the merit of integrating specimen databases into the practice of revisionary systematics. Work flows, data connections, data outputs, and data standardization are enumerated as critical aspects of such integration. Background information is provided on the use of "barcodes" as unique specimen identifiers and on methods for efficient data capture. Examples are provided on how to achieve efficient workflows and data standardization, as well as data outputs and data integration.