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The goal of this project is to use magnetic resonance imaging (MRI) data to provide an end-to-end analytics pipeline for left and right ventricle (LV and RV) segmentation. Another aim of the project is to find a model that would be generalizable across medical imaging datasets. We utilized a variety of models, datasets, and tests to determine which one is well suited to this purpose. Specifically, we implemented three models (2-D U-Net, 3-D U-Net, and DenseNet), and evaluated them on four datasets (Automated Cardiac Diagnosis Challenge, MICCAI 2009 LV, Sunnybrook Cardiac Data, MICCAI 2012 RV). While maintaining a consistent preprocessing strategy, we tested the performance of each model when trained on data from the same dataset as the test data, and when trained on data from a different dataset than the test dataset. Data augmentation was also used to increase the adaptability of the models. The results were compared to determine performance and generalizability.

Scientific workflows are powerful tools for management of scalable experiments, often composed of complex tasks running on distributed resources. Existing cyberinfrastructure provides components that can be utilized within repeatable workflows. However, data and computing advances continuously change the way scientific workflows get developed and executed, pushing the scientific activity to be more data-driven, heterogeneous and collaborative. Workflow development today depends on the effective collaboration and communication of a cross-disciplinary team, not only with humans but also with analytical systems and infrastructure. This paper presents a collaboration-centered reference architecture to extend workflow systems with dynamic, predictable and programmable interfaces to systems and infrastructure while bridging the exploratory and scalable activities in the scientific process. We also present a conceptual design towards the development of methodologies and tools for effective workflow-driven collaborations, namely the PPoDS methodology and the SmartFlows Toolkit for smart utilization of workflows in a rapidly evolving cyberinfrastructure ecosystem.

Reproducibility of computational studies is a hallmark of scientific methodology. It enables researchers to build with confidence on the methods and findings of others, reuse and extend computational pipelines, and thereby drive scientific progress. Since many experimental studies rely on computational analyses, biologists need guidance on how to set up and document reproducible data analyses or simulations. In this paper, we address several questions about reproducibility. For example, what are the technical and non-technical barriers to reproducible computational studies? What opportunities and challenges do computational notebooks offer to overcome some of these barriers? What tools are available and how can they be used effectively? We have developed a set of rules to serve as a guide to scientists with a specific focus on computational notebook systems, such as Jupyter Notebooks, which have become a tool of choice for many applications. Notebooks combine detailed workflows with narrative text and visualization of results. Combined with software repositories and open source licensing, notebooks are powerful tools for transparent, collaborative, reproducible, and reusable data analyses.

Scientific workflows integrate data and computing interfaces as configurable, semi-automatic graphs to solve a scientific problem. Kepler is such a software system for designing, executing, reusing, evolving, archiving and sharing scientific workflows. Electron tomography (ET) enables high-resolution views of complex cellular structures, such as cytoskeletons, organelles, viruses and chromosomes. Imaging investigations produce large datasets. For instance, in Electron Tomography, the size of a 16 fold image tilt series is about 65 Gigabytes with each projection image including 4096 by 4096 pixels. When we use serial sections or montage technique for large field ET, the dataset will be even larger. For higher resolution images with multiple tilt series, the data size may be in terabyte range. Demands of mass data processing and complex algorithms require the integration of diverse codes into flexible software structures. This paper describes a workflow for Electron Tomography Programs in Kepler (EPiK). This EPiK workflow embeds the tracking process of IMOD, and realizes the main algorithms including filtered backprojection (FBP) from TxBR and iterative reconstruction methods. We have tested the three dimensional (3D) reconstruction process using EPiK on ET data. EPiK can be a potential toolkit for biology researchers with the advantage of logical viewing, easy handling, convenient sharing and future extensibility.