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1. Software Training in HEP

   Sudhir Malik, Samuel Meehan ( February 2021 , ArXivorg)

   null (Ed.)

   Long term sustainability of the high energy physics (HEP) research software ecosystem is essential for the field. With upgrades and new facilities coming online throughout the 2020s this will only become increasingly relevant throughout this decade. Meeting this sustainability challenge requires a workforce with a combination of HEP domain knowledge and advanced software skills. The required software skills fall into three broad groups. The first is fundamental and generic software engineering (e.g. Unix, version control,C++, continuous integration). The second is knowledge of domain specific HEP packages and practices (e.g., the ROOT data format and analysis framework). The third is more advanced knowledge involving more specialized techniques. These include parallel programming, machine learning and data science tools, and techniques to preserve software projects at all scales. This paper dis-cusses the collective software training program in HEP and its activities led by the HEP Software Foundation (HSF) and the Institute for Research and Innovation in Software in HEP (IRIS-HEP). The program equips participants with an array of software skills that serve as ingredients from which solutions to the computing challenges of HEP can be formed. Beyond serving the community by ensuring that members are able to pursue research goals, this program serves individuals by providing intellectual capital and transferable skills that are becoming increasingly important to careers in the realm of software and computing, whether inside or outside HEP 

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2. Software Training in HEP

   Sudhir Malik, Samuel Meehan ( February 2021 , ArXivorg)

   null (Ed.)

   Long term sustainability of the high energy physics (HEP) research software ecosystem is essential for the field. With upgrades and new facilities coming online throughout the 2020s this will only become increasingly relevant throughout this decade. Meeting this sustainability challenge requires a workforce with a combination of HEP domain knowledge and advanced software skills. The required software skills fall into three broad groups. The first is fundamental and generic software engineering (e.g. Unix, version control,C++, continuous integration). The second is knowledge of domain specific HEP packages and practices (e.g., the ROOT data format and analysis framework). The third is more advanced knowledge involving more specialized techniques. These include parallel programming, machine learning and data science tools, and techniques to preserve software projects at all scales. This paper dis-cusses the collective software training program in HEP and its activities led by the HEP Software Foundation (HSF) and the Institute for Research and Innovation in Software in HEP (IRIS-HEP). The program equips participants with an array of software skills that serve as ingredients from which solutions to the computing challenges of HEP can be formed. Beyond serving the community by ensuring that members are able to pursue research goals, this program serves individuals by providing intellectual capital and transferable skills that are becoming increasingly important to careers in the realm of software and computing, whether inside or outside HEP 

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3. Scientific Data Annotation and Dissemination: Using the ‘Ike Wai Gatewayto Manage Research Data

   Cleveland, Sean B ; Geis, Jennifel Jacobs ( July 2020 , Practice and Experience in Advanced Research Computing)

   . Granting agencies invest millions of dollars on the generation and analysis of data, making these products extremely valuable. However, without sufficient annotation of the methods used to collect and analyze the data, the ability to reproduce and reuse those products suffers. This lack of assurance of the quality and credibility of the data at the different stages in the research process essentially wastes much of the investment of time and funding and fails to drive research forward to the level of potential possible if everything was effectively annotated and disseminated to the wider research community. In order to address this issue for the Hawai'i Established Program to Stimulate Competitive Research (EPSCoR) project, a water science gateway was developed at the University of Hawai‘i (UH), called the ‘Ike Wai Gateway. In Hawaiian, ‘Ike means knowledge and Wai means water. The gateway supports research in hydrology and water management by providing tools to address questions of water sustainability in Hawai‘i. The gateway provides a framework for data acquisition, analysis, model integration, and display of data products. The gateway is intended to complement and integrate with the capabilities of the Consortium of Universities for the Advancement of Hydrologic Science's (CUAHSI) Hydroshare by providing sound data and metadata management capabilities for multi-domain field observations, analytical lab actions, and modeling outputs. Functionality provided by the gateway is supported by a subset of the CUAHSI’s Observations Data Model (ODM) delivered as centralized web based user interfaces and APIs supporting multi-domain data management, computation, analysis, and visualization tools to support reproducible science, modeling, data discovery, and decision support for the Hawai'i EPSCoR ‘Ike Wai research team and wider Hawai‘i hydrology community. By leveraging the Tapis platform, UH has constructed a gateway that ties data and advanced computing resources together to support diverse research domains including microbiology, geochemistry, geophysics, economics, and humanities, coupled with computational and modeling workflows delivered in a user friendly web interface with workflows for effectively annotating the project data and products. Disseminating results for the ‘Ike Wai project through the ‘Ike Wai data gateway and Hydroshare makes the research products accessible and reusable. 

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4. The Deep Learning Epilepsy Detection Challenge: Design, Implementation, and Test of a New Crowd-Sourced AI Challenge Ecosystem

   Kiral, Isabell ; Roy, Subhrajit ; Mummert, Todd ; Braz, Alan ; Tsay, Jason ; Tang, Jianbin ; Asif, Umar ; Schaffter, Thomas ; Mehmet, Eren ; Picone, Joseph ; et al ( April 2019 , Challenges in Machine Learning Competitions for All (CiML))

   null (Ed.)

   The DeepLearningEpilepsyDetectionChallenge: design, implementation, andtestofanewcrowd-sourced AIchallengeecosystem Isabell Kiral*, Subhrajit Roy*, Todd Mummert*, Alan Braz*, Jason Tsay, Jianbin Tang, Umar Asif, Thomas Schaffter, Eren Mehmet, The IBM Epilepsy Consortium◊ , Joseph Picone, Iyad Obeid, Bruno De Assis Marques, Stefan Maetschke, Rania Khalaf†, Michal Rosen-Zvi† , Gustavo Stolovitzky† , Mahtab Mirmomeni† , Stefan Harrer† * These authors contributed equally to this work † Corresponding authors: rkhalaf@us.ibm.com, rosen@il.ibm.com, gustavo@us.ibm.com, mahtabm@au1.ibm.com, sharrer@au.ibm.com ◊ Members of the IBM Epilepsy Consortium are listed in the Acknowledgements section J. Picone and I. Obeid are with Temple University, USA. T. Schaffter is with Sage Bionetworks, USA. E. Mehmet is with the University of Illinois at Urbana-Champaign, USA. All other authors are with IBM Research in USA, Israel and Australia. Introduction This decade has seen an ever-growing number of scientific fields benefitting from the advances in machine learning technology and tooling. More recently, this trend reached the medical domain, with applications reaching from cancer diagnosis [1] to the development of brain-machine-interfaces [2]. While Kaggle has pioneered the crowd-sourcing of machine learning challenges to incentivise data scientists from around the world to advance algorithm and model design, the increasing complexity of problem statements demands of participants to be expert data scientists, deeply knowledgeable in at least one other scientific domain, and competent software engineers with access to large compute resources. People who match this description are few and far between, unfortunately leading to a shrinking pool of possible participants and a loss of experts dedicating their time to solving important problems. Participation is even further restricted in the context of any challenge run on confidential use cases or with sensitive data. Recently, we designed and ran a deep learning challenge to crowd-source the development of an automated labelling system for brain recordings, aiming to advance epilepsy research. A focus of this challenge, run internally in IBM, was the development of a platform that lowers the barrier of entry and therefore mitigates the risk of excluding interested parties from participating. The challenge: enabling wide participation With the goal to run a challenge that mobilises the largest possible pool of participants from IBM (global), we designed a use case around previous work in epileptic seizure prediction [3]. In this “Deep Learning Epilepsy Detection Challenge”, participants were asked to develop an automatic labelling system to reduce the time a clinician would need to diagnose patients with epilepsy. Labelled training and blind validation data for the challenge were generously provided by Temple University Hospital (TUH) [4]. TUH also devised a novel scoring metric for the detection of seizures that was used as basis for algorithm evaluation [5]. In order to provide an experience with a low barrier of entry, we designed a generalisable challenge platform under the following principles: 1. No participant should need to have in-depth knowledge of the specific domain. (i.e. no participant should need to be a neuroscientist or epileptologist.) 2. No participant should need to be an expert data scientist. 3. No participant should need more than basic programming knowledge. (i.e. no participant should need to learn how to process fringe data formats and stream data efficiently.) 4. No participant should need to provide their own computing resources. In addition to the above, our platform should further • guide participants through the entire process from sign-up to model submission, • facilitate collaboration, and • provide instant feedback to the participants through data visualisation and intermediate online leaderboards. The platform The architecture of the platform that was designed and developed is shown in Figure 1. The entire system consists of a number of interacting components. (1) A web portal serves as the entry point to challenge participation, providing challenge information, such as timelines and challenge rules, and scientific background. The portal also facilitated the formation of teams and provided participants with an intermediate leaderboard of submitted results and a final leaderboard at the end of the challenge. (2) IBM Watson Studio [6] is the umbrella term for a number of services offered by IBM. Upon creation of a user account through the web portal, an IBM Watson Studio account was automatically created for each participant that allowed users access to IBM's Data Science Experience (DSX), the analytics engine Watson Machine Learning (WML), and IBM's Cloud Object Storage (COS) [7], all of which will be described in more detail in further sections. (3) The user interface and starter kit were hosted on IBM's Data Science Experience platform (DSX) and formed the main component for designing and testing models during the challenge. DSX allows for real-time collaboration on shared notebooks between team members. A starter kit in the form of a Python notebook, supporting the popular deep learning libraries TensorFLow [8] and PyTorch [9], was provided to all teams to guide them through the challenge process. Upon instantiation, the starter kit loaded necessary python libraries and custom functions for the invisible integration with COS and WML. In dedicated spots in the notebook, participants could write custom pre-processing code, machine learning models, and post-processing algorithms. The starter kit provided instant feedback about participants' custom routines through data visualisations. Using the notebook only, teams were able to run the code on WML, making use of a compute cluster of IBM's resources. The starter kit also enabled submission of the final code to a data storage to which only the challenge team had access. (4) Watson Machine Learning provided access to shared compute resources (GPUs). Code was bundled up automatically in the starter kit and deployed to and run on WML. WML in turn had access to shared storage from which it requested recorded data and to which it stored the participant's code and trained models. (5) IBM's Cloud Object Storage held the data for this challenge. Using the starter kit, participants could investigate their results as well as data samples in order to better design custom algorithms. (6) Utility Functions were loaded into the starter kit at instantiation. This set of functions included code to pre-process data into a more common format, to optimise streaming through the use of the NutsFlow and NutsML libraries [10], and to provide seamless access to the all IBM services used. Not captured in the diagram is the final code evaluation, which was conducted in an automated way as soon as code was submitted though the starter kit, minimising the burden on the challenge organising team. Figure 1: High-level architecture of the challenge platform Measuring success The competitive phase of the "Deep Learning Epilepsy Detection Challenge" ran for 6 months. Twenty-five teams, with a total number of 87 scientists and software engineers from 14 global locations participated. All participants made use of the starter kit we provided and ran algorithms on IBM's infrastructure WML. Seven teams persisted until the end of the challenge and submitted final solutions. The best performing solutions reached seizure detection performances which allow to reduce hundred-fold the time eliptologists need to annotate continuous EEG recordings. Thus, we expect the developed algorithms to aid in the diagnosis of epilepsy by significantly shortening manual labelling time. Detailed results are currently in preparation for publication. Equally important to solving the scientific challenge, however, was to understand whether we managed to encourage participation from non-expert data scientists. Figure 2: Primary occupation as reported by challenge participants Out of the 40 participants for whom we have occupational information, 23 reported Data Science or AI as their main job description, 11 reported being a Software Engineer, and 2 people had expertise in Neuroscience. Figure 2 shows that participants had a variety of specialisations, including some that are in no way related to data science, software engineering, or neuroscience. No participant had deep knowledge and experience in data science, software engineering and neuroscience. Conclusion Given the growing complexity of data science problems and increasing dataset sizes, in order to solve these problems, it is imperative to enable collaboration between people with differences in expertise with a focus on inclusiveness and having a low barrier of entry. We designed, implemented, and tested a challenge platform to address exactly this. Using our platform, we ran a deep-learning challenge for epileptic seizure detection. 87 IBM employees from several business units including but not limited to IBM Research with a variety of skills, including sales and design, participated in this highly technical challenge. 

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5. Improving ecological data science with workflow management software

   https://doi.org/10.1111/2041-210X.14113  

   Brousil, Matthew R. ; Filazzola, Alessandro ; Meyer, Michael F. ; Sharma, Sapna ; Hampton, Stephanie E. ( April 2023 , Methods in Ecology and Evolution)

   Pressing environmental research questions demand the integration of increasingly diverse and large‐scale ecological datasets as well as complex analytical methods, which require specialized tools and resources.

   Computational training for ecological and evolutionary sciences has become more abundant and accessible over the past decade, but tool development has outpaced the availability of specialized training. Most training for scripted analyses focuses on individual analysis steps in one script rather than creating a scripted pipeline, where modular functions comprise an ecosystem of interdependent steps. Although current computational training creates an excellent starting place, linear styles of scripting can risk becoming labor‐ and time‐intensive and less reproducible by often requiring manual execution. Pipelines, however, can be easily automated or tracked by software to increase efficiency and reduce potential errors. Ecology and evolution would benefit from techniques that reduce these risks by managing analytical pipelines in a modular, readily parallelizable format with clear documentation of dependencies.

   Workflow management software (WMS) can aid in the reproducibility, intelligibility and computational efficiency of complex pipelines. To date, WMS adoption in ecology and evolutionary research has been slow. We discuss the benefits and challenges of implementing WMS and illustrate its use through a case study with thetargets rpackage to further highlight WMS benefits through workflow automation, dependency tracking and improved clarity for reviewers.

   Although WMS requires familiarity with function‐oriented programming and careful planning for more advanced applications and pipeline sharing, investment in training will enable access to the benefits of WMS and impart transferable computing skills that can facilitate ecological and evolutionary data science at large scales.

    

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