The science is in the data.
Ontology highlight
ABSTRACT:
SUBMITTER: Helliwell JR
PROVIDER: S-EPMC5668855 | biostudies-literature | 2017 Nov
REPOSITORIES: biostudies-literature
Publications
The science is in the data.
Helliwell John R JR McMahon Brian B Guss J Mitchell JM Kroon-Batenburg Loes M J LMJ
IUCrJ 20171006 Pt 6
Understanding published research results should be through one's own eyes and include the opportunity to work with raw diffraction data to check the various decisions made in the analyses by the original authors. Today, preserving raw diffraction data is technically and organizationally viable at a growing number of data archives, both centralized and distributed, which are empowered to register data sets and obtain a preservation descriptor, typically a 'digital object identifier'. This introdu ...[more]
Similar Datasets
Project description:Building and expanding on principles of statistics, machine learning, and scientific inquiry, we propose the predictability, computability, and stability (PCS) framework for veridical data science. Our framework, composed of both a workflow and documentation, aims to provide responsible, reliable, reproducible, and transparent results across the data science life cycle. The PCS workflow uses predictability as a reality check and considers the importance of computation in data collection/storage and algorithm design. It augments predictability and computability with an overarching stability principle. Stability expands on statistical uncertainty considerations to assess how human judgment calls impact data results through data and model/algorithm perturbations. As part of the PCS workflow, we develop PCS inference procedures, namely PCS perturbation intervals and PCS hypothesis testing, to investigate the stability of data results relative to problem formulation, data cleaning, modeling decisions, and interpretations. We illustrate PCS inference through neuroscience and genomics projects of our own and others. Moreover, we demonstrate its favorable performance over existing methods in terms of receiver operating characteristic (ROC) curves in high-dimensional, sparse linear model simulations, including a wide range of misspecified models. Finally, we propose PCS documentation based on R Markdown or Jupyter Notebook, with publicly available, reproducible codes and narratives to back up human choices made throughout an analysis. The PCS workflow and documentation are demonstrated in a genomics case study available on Zenodo.
| S-EPMC7049126 | biostudies-literature
Project description:Background. Accurate diagnosis of patients' preferences is central to shared decision making. Missing from clinical practice is an approach that links pretreatment preferences and patient-reported outcomes. Objective. We propose a Bayesian collaborative filtering (CF) algorithm that combines pretreatment preferences and patient-reported outcomes to provide treatment recommendations. Design. We present the methodological details of a Bayesian CF algorithm designed to accomplish 3 tasks: 1) eliciting patient preferences using conjoint analysis surveys, 2) clustering patients into preference phenotypes, and 3) making treatment recommendations based on the posttreatment satisfaction of like-minded patients. We conduct a series of simulation studies to test the algorithm and to compare it to a 2-stage approach. Results. The Bayesian CF algorithm and 2-stage approaches performed similarly when there was extensive overlap between preference phenotypes. When the treatment was moderately associated with satisfaction, both methods made accurate recommendations. The kappa estimates measuring agreement between the true and predicted recommendations were 0.70 (95% confidence interval = 0.052-0.88) and 0.73 (0.56-0.90) under the Bayesian CF and 2-stage approaches, respectively. The 2-stage approach failed to converge in settings in which clusters were well separated, whereas the Bayesian CF algorithm produced acceptable results, with kappas of 0.73 (0.56-0.90) and 0.83 (0.69-0.97) for scenarios with moderate and large treatment effects, respectively. Limitations. Our approach assumes that the patient population is composed of distinct preference phenotypes, there is association between treatment and outcomes, and treatment effects vary across phenotypes. Findings are also limited to simulated data. Conclusion. The Bayesian CF algorithm is feasible, provides accurate cluster treatment recommendations, and outperforms 2-stage estimation when clusters are well separated. As such, the approach serves as a roadmap for incorporating predictive analytics into shared decision making.
| S-EPMC7676870 | biostudies-literature
Project description:Knowledge-based biomedical data science involves the design and implementation of computer systems that act as if they knew about biomedicine. Such systems depend on formally represented knowledge in computer systems, often in the form of knowledge graphs. Here we survey recent progress in systems that use formally represented knowledge to address data science problems in both clinical and biological domains, as well as progress on approaches for creating knowledge graphs. Major themes include the relationships between knowledge graphs and machine learning, the use of natural language processing to construct knowledge graphs, and the expansion of novel knowledge-based approaches to clinical and biological domains.
| S-EPMC8095730 | biostudies-literature
Project description:Cell imaging has entered the 'Big Data' era. New technologies in light microscopy and molecular biology have led to an explosion in high-content, dynamic and multidimensional imaging data. Similar to the 'omics' fields two decades ago, our current ability to process, visualize, integrate and mine this new generation of cell imaging data is becoming a critical bottleneck in advancing cell biology. Computation, traditionally used to quantitatively test specific hypotheses, must now also enable iterative hypothesis generation and testing by deciphering hidden biologically meaningful patterns in complex, dynamic or high-dimensional cell image data. Data science is uniquely positioned to aid in this process. In this Perspective, we survey the rapidly expanding new field of data science in cell imaging. Specifically, we highlight how data science tools are used within current image analysis pipelines, propose a computation-first approach to derive new hypotheses from cell image data, identify challenges and describe the next frontiers where we believe data science will make an impact. We also outline steps to ensure broad access to these powerful tools - democratizing infrastructure availability, developing sensitive, robust and usable tools, and promoting interdisciplinary training to both familiarize biologists with data science and expose data scientists to cell imaging.
| S-EPMC8034880 | biostudies-literature
Project description:Increasingly, users of health and biomedical libraries need assistance with challenges they face in working with their own and others' data. Librarians have a unique opportunity to provide valuable support and assistance in data science and open science but may need to add to their expertise and skill set to have the most impact. This article describes the rationale for and development of the Medical Library Association Data Services Competency, which outlines a set of five key skills for data services and provides a course of study for gaining these skills.
| S-EPMC7069817 | biostudies-literature
Project description:Purpose of Review:Data science is an exploding trans-disciplinary field that aims to harness the power of data to gain information or insights on researcher-defined topics of interest. In this paper we review how data science can help advance environmental health research. Recent Findings:We discuss the concepts computationally scalable handling of Big Data and the design of efficient research data platforms, and how data science can provide solutions for methodological challenges in environmental health research, such as high-dimensional outcomes and exposures, and prediction models. Finally, we discuss tools for reproducible research. Summary:In this paper we present opportunities to improve environmental research capabilities by embracing data science, and the pitfalls that environmental health researchers should avoid when employing data scientific approaches. Throughout the paper, we emphasize the need for environmental health researchers to collaborate more closely with biostatisticians and data scientists to ensure robust and interpretable results.
| S-EPMC6853613 | biostudies-literature
Project description:Demand for data science education is surging and traditional courses offered by statistics departments are not meeting the needs of those seeking training. This has led to a number of opinion pieces advocating for an update to the Statistics curriculum. The unifying recommendation is that computing should play a more prominent role. We strongly agree with this recommendation, but advocate the main priority is to bring applications to the forefront as proposed by Nolan and Speed (1999). We also argue that the individuals tasked with developing data science courses should not only have statistical training, but also have experience analyzing data with the main objective of solving real-world problems. Here, we share a set of general principles and offer a detailed guide derived from our successful experience developing and teaching a graduate-level, introductory data science course centered entirely on case studies. We argue for the importance of statistical thinking, as defined by Wild and Pfannkuch (1999) and describe how our approach teaches students three key skills needed to succeed in data science, which we refer to as creating, connecting, and computing. This guide can also be used for statisticians wanting to gain more practical knowledge about data science before embarking on teaching an introductory course.
| S-EPMC6519964 | biostudies-literature
Project description:Autonomous process optimization involves the human intervention-free exploration of a range process parameters to improve responses such as product yield and selectivity. Utilizing off-the-shelf components, we develop a closed-loop system for carrying out parallel autonomous process optimization experiments in batch. Upon implementation of our system in the optimization of a stereoselective Suzuki-Miyaura coupling, we find that the definition of a set of meaningful, broad, and unbiased process parameters is the most critical aspect of successful optimization. Importantly, we discern that phosphine ligand, a categorical parameter, is vital to determination of the reaction outcome. To date, categorical parameter selection has relied on chemical intuition, potentially introducing bias into the experimental design. In seeking a systematic method for selecting a diverse set of phosphine ligands, we develop a strategy that leverages computed molecular feature clustering. The resulting optimization uncovers conditions to selectively access the desired product isomer in high yield.
| S-EPMC9814253 | biostudies-literature
Project description:ObjectiveThere is a growing need for innovation to prepare a well-trained health informatics workforce with data science and digital technology skills. To meet the workforce demands and prepare students for a career in health informatics, a Health Data Science (HDS) concentration was added to the Master's in Health Informatics (MSHI) program at the University of Illinois at Chicago.MethodsFour levels of learning were incorporated into the curriculum to prepare students for highly complex jobs in health informatics. Leader interviews, advisory board meetings, and mixed faculty expertise were utilized as inputs to survey and analyze the skills employers seek in the job market. An innovative rapid infusion approach was used to design assessments across the levels of learning that simulate real-world scenarios where these competencies are used.ResultsCourse evaluation surveys revealed strong satisfaction with the quality of the course and agreed that the course was intellectually challenging and stimulating. Students reported the 3 most beneficial aspects were: the live lectures, hands-on data research and manipulation, and simulated real-world situations.ConclusionsThis article discusses using a rapid infusion approach to developing active learning assignments designed to build competencies employers are seeking. These competencies also develop creative, divergent thinking with flexible, student-defined solutions. Survey data validates the approach to active learning put into context and made relevant to the learner. The benefit of the concentration is to provide students with the preparation for a successful entry into the Health Informatics field, one of the fastest-growing careers in healthcare.
| S-EPMC9420044 | biostudies-literature
Project description:This article describes efforts at the National Institutes of Health (NIH) from 2013 to 2016 to train a national workforce in biomedical data science. We provide an analysis of the Big Data to Knowledge (BD2K) training program strengths and weaknesses with an eye toward future directions aimed at any funder and potential funding recipient worldwide. The focus is on extramurally funded programs that have a national or international impact rather than the training of NIH staff, which was addressed by the NIH's internal Data Science Workforce Development Center. From its inception, the major goal of BD2K was to narrow the gap between needed and existing biomedical data science skills. As biomedical research increasingly relies on computational, mathematical, and statistical thinking, supporting the training and education of the workforce of tomorrow requires new emphases on analytical skills. From 2013 to 2016, BD2K jump-started training in this area for all levels, from graduate students to senior researchers.
| S-EPMC5517135 | biostudies-other