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An open source knowledge graph ecosystem for the life sciences

Translational research requires data at multiple scales of biological organization. Advancements in sequencing and multi-omics technologies have increased the availability of these data, but researchers face significant integration challenges. Knowledge graphs (KGs) are used to model complex phenomena, and methods exist to construct them automatically. However, tackling complex biomedical integration problems requires flexibility in the way knowledge is modeled. Moreover, existing KG construction methods provide robust tooling at the cost of fixed or limited choices among knowledge representation models. PheKnowLator (Phenotype Knowledge Translator) is a semantic ecosystem for automating the FAIR (Findable, Accessible, Interoperable, and Reusable) construction of ontologically grounded KGs with fully customizable knowledge representation. The ecosystem includes KG construction resources (e.g., data preparation APIs), analysis tools (e.g., SPARQL endpoint resources and abstraction algorithms), and benchmarks (e.g., prebuilt KGs). We evaluated the ecosystem by systematically comparing it to existing open-source KG construction methods and by analyzing its computational performance when used to construct 12 different large-scale KGs. With flexible knowledge representation, PheKnowLator enables fully customizable KGs without compromising performance or usability.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

Clinical knowledge extraction via sparse embedding regression (KESER) with multi-center large scale electronic health record data

The increasing availability of electronic health record (EHR) systems has created enormous potential for translational research. However, it is difficult to know all the relevant codes related to a phenotype due to the large number of codes available. Traditional data mining approaches often require the use of patient-level data, which hinders the ability to share data across institutions. In this project, we demonstrate that multi-center large-scale code embeddings can be used to efficiently identify relevant features related to a disease of interest. We constructed large-scale code embeddings for a wide range of codified concepts from EHRs from two large medical centers. We developed knowledge extraction via sparse embedding regression (KESER) for feature selection and integrative network analysis. We evaluated the quality of the code embeddings and assessed the performance of KESER in feature selection for eight diseases. Besides, we developed an integrated clinical knowledge map combining embedding data from both institutions. The features selected by KESER were comprehensive compared to lists of codified data generated by domain experts. Features identified via KESER resulted in comparable performance to those built upon features selected manually or with patient-level data. The knowledge map created using an integrative analysis identified disease-disease and disease-drug pairs more accurately compared to those identified using single institution data. Analysis of code embeddings via KESER can effectively reveal clinical knowledge and infer relatedness among codified concepts. KESER bypasses the need for patient-level data in individual analyses providing a significant advance in enabling multi-center studies using EHR data.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

Ontologizing health systems data at scale: making translational discovery a reality

Common data models solve many challenges of standardizing electronic health record (EHR) data but are unable to semantically integrate all of the resources needed for deep phenotyping. Open Biological and Biomedical Ontology (OBO) Foundry ontologies provide computable representations of biological knowledge and enable the integration of heterogeneous data. However, mapping EHR data to OBO ontologies requires significant manual curation and domain expertise. We introduce OMOP2OBO, an algorithm for mapping Observational Medical Outcomes Partnership (OMOP) vocabularies to OBO ontologies. Using OMOP2OBO, we produced mappings for 92,367 conditions, 8611 drug ingredients, and 10,673 measurement results, which covered 68–99% of concepts used in clinical practice when examined across 24 hospitals. When used to phenotype rare disease patients, the mappings helped systematically identify undiagnosed patients who might benefit from genetic testing. By aligning OMOP vocabularies to OBO ontologies our algorithm presents new opportunities to advance EHR-based deep phenotyping.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

Surface energies of elemental crystals

The surface energy is a fundamental property of the different facets of a crystal that is crucial to the understanding of various phenomena like surface segregation, roughening, catalytic activity, and the crystal's equilibrium shape. Such surface phenomena are especially important at the nanoscale, where the large surface area to volume ratios lead to properties that are significantly different from the bulk. Here, we present the largest database of calculated surface energies for elemental crystals to date. This database contains the surface energies of more than 100 polymorphs of about 70 elements, up to a maximum Miller index of two and three for non-cubic and cubic crystals, respectively. Well-known reconstruction schemes are also accounted for. The database is systematically improvable and has been rigorously validated against previous experimental and computational data where available. We will describe the methodology used in constructing the database, and how it can be accessed for further studies and design of materials.

36 MATERIALS SCIENCE↗

Qresp, a tool for curating, discovering and exploring reproducible scientific papers

We propose a strategy and present a simple tool to facilitate scientific data reproducibility by making available, in a distributed manner, all data and procedures presented in scientific papers, together with metadata to render them searchable and discoverable. In particular, we describe a graphical user interface (GUI), Qresp, to curate papers (i.e. generate metadata) and to explore curated papers and automatically access the data presented in scientific publications.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

Learning from the past: Rare ε-Fe2O3 in the ancient black-glazed Jian (Tenmoku) wares

Ancient Jian wares are famous for their lustrous black glaze that exhibits unique colored patterns. Some striking examples include the brownish colored ‘‘Hare’s Fur’’ (HF) strips and the silvery ‘‘Oil Spot’’ (OS) patterns. Herein, we investigated the glaze surface of HF and OS samples using a variety of characterization methods. Contrary to the commonly accepted theory, we identified the presence of e-Fe2O3, a rare metastable polymorph of Fe2O3 with unique magnetic properties, in both HF and OS samples. We found that surface crystals of OS samples are up to several micrometers in size and exclusively made of e-Fe2O3. Interestingly, these e-Fe2O3 crystals on the OS sample surface are organized in a periodic two dimensional fashion. These results shed new lights on the actual mechanisms and kinetics of polymorphous transitions of Fe2O3. Deciphering technologies behind the fabrication of ancient Jian wares can thus potentially help researchers improve the e-Fe2O3 synthesis.

ARCHAEOMETRY↗

Viral phylogenomics using an alignment-free method: A three-step approach to determine optimal length of k-mer

The development of rapid, economical genome sequencing has shed new light on the classification of viruses. As of October 2016, the National Center for Biotechnology Information (NCBI) database contained >2 million viral genome sequences and a reference set of ~4000 viral genome sequences that cover a wide range of known viral families. Whole-genome sequences can be used to improve viral classification and provide insight into the viral tree of life . However, due to the lack of evolutionary conservation amongst diverse viruses, it is not feasible to build a viral tree of life using traditional phylogenetic methods based on conserved proteins. In this study, we used an alignment-free method that uses k-mers as genomic features for a large-scale comparison of complete viral genomes available in RefSeq. To determine the optimal feature length, k (an essential step in constructing a meaningful dendrogram), we designed a comprehensive strategy that combines three approaches: (1) cumulative relative entropy, (2) average number of common features among genomes, and (3) the Shannon diversity index. This strategy was used to determine k for all 3,905 complete viral genomes in RefSeq. Lastly, the resulting dendrogram shows consistency with the viral taxonomy of the ICTV and the Baltimore classification of viruses.

60 APPLIED LIFE SCIENCES↗

Reminiscing about 15 years of interoperability efforts

Over the past fifteen years, our perspective on tackling information interoperability problems for web-based scholarship has evolved significantly. In this opinion piece, we look back at three efforts that we have been involved in that aptly illustrate this evolution: OAI-PMH, OAI-ORE, and Memento. Understanding that no interoperability specification is neutral, we attempt to characterize the perspectives and technical toolkits that provided the basis for these endeavors. With that regard, we consider repository-centric and web-centric interoperability perspectives, and the use of a Linked Data or a REST/HATEAOS technology stack, respectively. In addition, we lament the lack of interoperability across nodes that play a role in web-based scholarship, but end on a constructive note with some ideas regarding a possible path forward.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

The Princess Project: From Differential to Integral Experiments

Following the shutdown of the CEA Valduc experimental facilities, where, for more than 50 years, IRSN used to perform experiments related to criticality safety, IRSN initiated a new project named PRINCESS (PRoject for IRSN Neutron physics and Criticality Experimental data Supporting Safety). The objective is to continue collecting experimental data necessary for the IRSN missions in nuclear safety. For this purpose, collaborations with various national and international laboratories have been established. The PRINCESS project covers various nuclear physics fields from nuclear data to criticality-safety and reactor physics providing information to both differential and integral data improvements.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Implementing interdisciplinary sustainability education with the food-energy-water (FEW) nexus

Growth in the green jobs sector has increased demand for college graduates who are prepared to enter the workforce with interdisciplinary sustainability skills. Simultaneously, scholarly calls for interdisciplinary collaboration in the service of addressing the societal challenges of enhancing resilience and sustainability have also increased in recent years. However, developing, executing, and assessing interdisciplinary content and skills at the post-secondary level has been challenging. The objective of this paper is to offer the Food-Energy-Water (FEW) Nexus as a powerful way to achieve sustainability competencies and matriculate graduates who will be equipped to facilitate the transformation of the global society by meeting the targets set by the United Nations Sustainable Development Goals. The paper presents 10 curricular design examples that span multiple levels, including modules, courses, and programs. These modules enable clear evaluation and assessment of key sustainability competencies, helping to prepare graduates with well-defined skillsets who are equipped to address current and future workforce needs.

54 ENVIRONMENTAL SCIENCES↗

FEW questions, many answers: using machine learning to assess how students connect food–energy–water (FEW) concepts

There is growing support and interest in postsecondary interdisciplinary environmental education which integrate concepts and disciplines in addition to providing varied perspectives. There is a need to assess student learning in these programs as well as rigorous evaluation of educational practices, especially of complex synthesis concepts. This work tests a text classification machine learning model as a tool to assess student systems thinking capabilities using two questions anchored by the Food-Energy-Water (FEW) Nexus phenomena by answering two questions (1) Can machine learning models be used to identify instructor-determined important concepts in student responses? (2) What do college students know about the interconnections between food, energy and water, and how have students assimilated systems thinking into their constructed responses about FEW? Reported here are a broad range of model performances across 26 text classification models associated with two different assessment items, with model accuracy ranging from 0.755 to 0.992. Expert-like responses were infrequent in our dataset compared to responses providing simpler, incomplete explanations of the systems presented in the question. For those students moving from describing individual effects to multiple effects, their reasoning about the mechanism behind the system indicates advanced systems thinking ability. Specifically, students exhibit higher expertise for explaining changing water usage than discussing tradeoffs for such changing usage. This research represents one of the first attempts to assess the links between foundational, discipline-specific concepts and systems thinking ability. These text classification approaches to scoring student FEW Nexus Constructed Responses (CR) indicate how these approaches can be used, in addition to several future research priorities for interdisciplinary, practice-based education research. Development of further complex question items using machine learning would allow evaluation of the relationship between foundational concept understanding and integration of those concepts as well as more nuanced understanding of student comprehension of complex interdisciplinary concepts.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

Renewable energy technologies and its adaptation in an urban environment

This general article is based on the inaugural talk delivered at the opening of OMTAT 2013 conference. It notes that the integration of renewable energy sources into living and transport sectors presents a daunting task, still. In spite of the fact that the earth and its atmosphere continually receive 1.7 × 10{sup 17} watts of radiation from the sun, in the portfolio of sustainable and environment friendly energy options, which is about 16% of the world’s energy consumption and mostly met by biomass, only a paltry 0.04% is accredited to solar. First and second generation solar cells offer mature technologies for applications. The most important difficulty with regards to integration with structures is not only the additional cost, but also the lack of sufficient knowledge in managing the available energy smartly and efficiently. The incorporation of PV as a part of building fabric greatly reduces the overall costs compared with retrofitting. BIPV (Building Integrated photovoltaic) is a critical technology for establishing aesthetically pleasing solar structures. Infusing PV and building elements is greatly simplified with some of the second generation thin film technologies now manufactured as flexible panels. The same holds true for 3{sup rd} generation technologies under development such as, and dye- and quantum dot- sensitized solar cells. Additionally, these technologies offer transparent or translucent solar cells for incorporation into windows and skylights. This review deals with the present state of solar cell technologies suitable for BIPV and the status of BIPV applications and its future prospects.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Evaluation of information technology impact on effective internal control in the University system

Information Technology (IT) plays a key role in internal control system in various organizations in terms of maintaining records and other internal services. Internal control system is defined as an efficient control procedures set up by firm to safeguard resources and to assure the reliability and accuracy of both financial and non-financial records in line with applicable governance and procedure to acquire the established goal and objectives. This paper focuses on the impact of IT on internal control system in the Nigerian universities. Data are collected from three different universities via questionnaire. Descriptive statistics is used to analyze the data; Chi-square is performed to test the hypothesis. The results of the hypothesis showed that IT has a positive relationship with the effective internal control activities in the University system. It is concluded that the adoption of IT will significantly improve the effectiveness of the internal control system operations in the University in terms of quality service delivery.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

On the universal structure of human lexical semantics

How universal is human conceptual structure? The way concepts are organized in the human brain may reflect distinct features of cultural, historical, and environmental background in addition to properties universal to human cognition. Semantics, or meaning expressed through language, provides indirect access to the underlying conceptual structure, but meaning is notoriously difficult to measure, let alone parameterize. Here, we provide an empirical measure of semantic proximity between concepts using cross-linguistic dictionaries to translate words to and from languages carefully selected to be representative of worldwide diversity. These translations reveal cases where a particular language uses a single “polysemous” word to express multiple concepts that another language represents using distinct words. We use the frequency of such polysemies linking two concepts as a measure of their semantic proximity and represent the pattern of these linkages by a weighted network. This network is highly structured: Certain concepts are far more prone to polysemy than others, and naturally interpretable clusters of closely related concepts emerge. Statistical analysis of the polysemies observed in a subset of the basic vocabulary shows that these structural properties are consistent across different language groups, and largely independent of geography, environment, and the presence or absence of a literary tradition. As a result, the methods developed here can be applied to any semantic domain to reveal the extent to which its conceptual structure is, similarly, a universal attribute of human cognition and language use.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

A New Era of Nuclear Criticality Experiments: The First 10 Years of Radiation Test Object Operations at NCERC

The work presented in this paper focuses on the first 10 years (2011–2020) of radiation test object (RTO) operations at the National Criticality Experiments Research Center. RTOs are subcritical configurations of special nuclear material that are built by hand. These configurations are utilized for benchmark experiments, detector testing/characterization, and training. An overview of the types of measurements used in RTO operations is given as well as a history of RTO operations at Los Alamos National Laboratory from 1944–2011.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

A New Era of Nuclear Criticality Experiments: The First 10 Years of Godiva IV Operations at NCERC

The work presented in this paper focuses on the first 10 years (2011–2020) of Godiva IV operations at the National Criticality Experiments Research Center (NCERC). Godiva IV is a fast burst critical assembly constructed of approximately 65 kg of highly enriched uranium fuel alloyed with 1.5% molybdenum for strength. Godiva is one of the last such critical assemblies in the United States and can be used for studies of super-prompt-critical behavior as well as irradiations and demonstrations. An overview of the startup of Godiva IV at NCERC is given followed by a summary of the experiments performed utilizing Godiva IV over the first 10 years of operation at NCERC.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

A New Era of Nuclear Criticality Experiments: The First 10 Years of Flattop Operations at NCERC

The Flattop critical assembly was built and operated from 1958 through 2004 at the Pajarito Site (Technical Area-18), home to the Los Alamos Critical Experiments Facility. Flattop was disassembled in 2005 and refurbished over the course of 3 years. In 2008, Flattop was installed in the National Criticality Experiments Research Center (NCERC) located in the Device Assembly Facility at the Nevada National Security Site. Startup of Flattop with a uranium core occurred in 2011. This paper details the first 10 years of Flattop operations at NCERC (2011–present).

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗