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  1. Summary

    Scholars worldwide leverage science gateways/virtual research environments (VREs) for a wide variety of research and education endeavors spanning diverse scientific fields. Evaluating the value of a given science gateway/VRE to its constituent community is critical in obtaining the financial and human resources necessary to sustain operations and increase adoption in the user community. In this article, we feature a variety of exemplar science gateways/VREs and detail how they define impact in terms of, for example, their purpose, operation principles, and size of user base. Further, the exemplars recognize that their science gateways/VREs will continuously evolve with technological advancements and standards in cloud computing platforms, web service architectures, data management tools and cybersecurity. Correspondingly, we present a number of technology advances that could be incorporated in next‐generation science gateways/VREs to enhance their scope and scale of their operations for greater success/impact. The exemplars are selected from owners of science gateways in the Science Gateways Community Institute (SGCI) clientele in the United States, and from the owners of VREs in the International Virtual Research Environment Interest Group (VRE‐IG) of the Research Data Alliance. Thus, community‐driven best practices and technology advances are compiled from diverse expert groups with an international perspective to envisage futuristic science gateway/VRE innovations.

     
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  2. The paper introduces software and control concepts from an automation point of view to K-12 students, via LEGO robotics 
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  3. Automation of the process of developing biophysical conductance-based neuronal models involves the selection of numerous interacting parameters, making the overall process computationally intensive, complex, and often intractable. A recently reported insight about the possible grouping of currents into distinct biophysical modules associated with specific neurocomputational properties also simplifies the process of automated selection of parameters. The present paper adds a new current module to the previous report to design spike frequency adaptation and bursting characteristics, based on user specifications. We then show how our proposed grouping of currents into modules facilitates the development of a pipeline that automates the biophysical modeling of single neurons that exhibit multiple neurocomputational properties. The software will be made available for public download via our site cyneuro.org. 
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  4. We propose a computational pipeline that uses biophysical modeling and sequential neural posterior estimation algorithm to infer the position and morphology of single neurons using multi-electrode in vivo extracellular voltage recordings. In this inverse modeling scheme, we designed a generic biophysical single neuron model with stylized morphology that had adjustable parameters for the dimensions of the soma, basal and apical dendrites, and their location and orientations relative to the multi-electrode probe. Preliminary results indicate that the proposed methodology can infer up to eight neuronal parameters well. We highlight the issues involved in the development of the novel pipeline and areas for further improvement. 
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  5. Herein, we describe the implementation of virtual labs that simulate central nervous system functions. The virtual labs use Jupyter Notebooks as a method of distribution. The underlying physiology is implemented using NEURON [8]. Python is used to implement interactive portions of the code without the need to know how to write code. Together, these tools provide a method for engaging students in inquiry-based exploration of neuroscience processes. Additionally, we report that computational tools have potential to engage students and promote inclusion in the research community similarly to students who have a traditional laboratory experience. 
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  6. Scientists in disciplines such as neuroscience and bioinformatics are increasingly relying on science gateways for experimentation on voluminous data, as well as analysis and visualization in multiple perspectives. Though current science gateways provide easy access to computing resources, datasets and tools specific to the disciplines, scientists often use slow and tedious manual efforts to perform knowledge discovery to accomplish their research/education tasks. Recommender systems can provide expert guidance and can help them to navigate and discover relevant publications, tools, data sets, or even automate cloud resource configurations suitable for a given scientific task. To realize the potential of integration of recommenders in science gateways in order to spur research productivity,we present a novel “OnTimeRecommend" recommender system. The OnTimeRecommend comprises of several integrated recommender modules implemented as microservices that can be augmented to a science gateway in the form of a recommender-as-a-service. The guidance for use of the recommender modules in a science gateway is aided by a chatbot plug-in viz., Vidura Advisor. To validate our OnTimeRecommend, we integrate and show benefits for both novice and expert users in domain-specific knowledge discovery within two exemplar science gateways, one in neuroscience (CyNeuro) and the other in bioinformatics (KBCommons). 
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  7. Neuroscientists are increasingly relying on high performance/throughput computing resources for experimentation on voluminous data, analysis and visualization at multiple neural levels. Though current science gateways provide access to computing resources, datasets and tools specific to the disciplines, neuroscientists require guided knowledge discovery at various levels to accomplish their research/education tasks. The guidance can help them to navigate them through relevant publications, tools, topic associations and cloud platform options as they accomplish important research and education activities. To address this need and to spur research productivity and rapid learning platform development, we present “OnTimeRecommend”, a novel recommender system that comprises of several integrated recommender modules through RESTful web services. We detail a neuroscience use case in a CyNeuro science gateway, and show how the OnTimeRecommend design can enable novice/expert user interfaces, as well as template-driven control of heterogeneous cloud resources. 
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  8. Neuroscientists are increasingly relying on parallel and distributed computing resources for analysis and visualization of their neuron simulations. This requires expert knowledge of programming and cyberinfrastructure configuration, which is beyond the repertoire of most neuroscience programs. This paper presents early experiences from a one-credit graduate research training course titled ECE 8001 “Software and Cyber Automation in Neuroscience” at the University of Missouri for engendering multi-disciplinary collaborations between computational neuroscience and cyberinfrastructure students and faculty. Specifically, we discuss the course organization and exemplar outcomes involving a next-generation science gateway for training novice users on exemplar neuroscience use cases that involve using tools such as NEURON and MATLAB on local as well as Neuroscience Gateway resources. We also discuss our vision towards a course sequence curriculum for graduate/undergraduate students from biological/psychological sciences and computer science/engineering to jointly build “self- service” training modules using Jupyter Notebook platforms. Thus, our efforts show how we can create scalable and sustainable cyber and software automation for fulfilling a broad set of neuroscience research and education use cases. 
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  9. Neuro-scientists are increasingly relying on parallel and distributed computing resources for analysis and visualization of their neuron simulations. Although science gateways have democratized relevant high performance/throughput resources, users require expert knowledge about programming and infras-tructure configuration that is beyond the repertoire of most neuroscience programs. These factors become deterrents for the successful adoption and the ultimate diffusion (i.e., systemic spread) of science gateways in the neuroscience community. In this paper, we present a novel intuitionistic fuzzy logic based conversational recommender that can provide guidance to users when using science gateways for research and education workflows. The users interact with a context-aware chatbot that is embedded within custom web-portals to obtain simulation tools/resources to accomplish their goals. In order to ensure user goals are met, the chatbot profiles a user’s cyberinfrastructure and neuroscience domain proficiency level using a ‘usability quadrant’ approach. Simulation of user queries for an exemplary neuroscience use case demonstrates that our chatbot can provide step-by-step navigational support and generate distinct responses based on user proficiency. 
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