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At least 721 records · Page 40

The Earth System Prediction Suite: Toward a Coordinated U.S. Modeling Capability

The Earth System Prediction Suite (ESPS) is a collection of flagship U.S. weather and climate models and model components that are being instrumented to conform to interoperability conventions, documented to follow metadata standards, and made available either under open-source terms or to credentialed users. Furthermore, the ESPS represents a culmination of efforts to create a common Earth system model architecture, and the advent of increasingly coordinated model development activities in the United States. ESPS component interfaces are based on the Earth System Modeling Framework (ESMF), community-developed software for building and coupling models, and the National Unified Operational Prediction Capability (NUOPC) Layer, a set of ESMF-based component templates and interoperability conventions. Our shared infrastructure simplifies the process of model coupling by guaranteeing that components conform to a set of technical and semantic behaviors. The ESPS encourages distributed, multiagency development of coupled modeling systems; controlled experimentation and testing; and exploration of novel model configurations, such as those motivated by research involving managed and interactive ensembles. ESPS codes include the Navy Global Environmental Model (NAVGEM), the Hybrid Coordinate Ocean Model (HYCOM), and the Coupled Ocean–Atmosphere Mesoscale Prediction System (COAMPS); the NOAA Environmental Modeling System (NEMS) and the Modular Ocean Model (MOM); the Community Earth System Model (CESM); and the NASA ModelE climate model and the Goddard Earth Observing System Model, version 5 (GEOS-5), atmospheric general circulation model.

54 ENVIRONMENTAL SCIENCES↗

Evaluating and extending user-level fault tolerance in MPI applications

The user-level failure mitigation (ULFM) interface has been proposed to provide fault-tolerant semantics in the Message Passing Interface (MPI). Previous work presented performance evaluations of ULFM; yet questions related to its programability and applicability, especially to non-trivial, bulk synchronous applications, remain unanswered. In this article, we present our experiences on using ULFM in a case study with a large, highly scalable, bulk synchronous molecular dynamics application to shed light on the advantages and difficulties of this interface to program fault-tolerant MPI applications. We found that, although ULFM is suitable for master–worker applications, it provides few benefits for more common bulk synchronous MPI applications. Furthermore, to address these limitations, we introduce a new, simpler fault-tolerant interface for complex, bulk synchronous MPI programs with better applicability and support than ULFM for application-level recovery mechanisms, such as global rollback.

97 MATHEMATICS AND COMPUTING↗

Designing and prototyping extensions to the Message Passing Interface in MPICH

As HPC system architectures and the applications running on them continue to evolve, the MPI standard itself must evolve. The trend in current and future HPC systems toward powerful nodes with multiple CPU cores and multiple GPU accelerators makes efficient support for hybrid programming critical for applications to achieve high performance. However, the support for hybrid programming in the MPI standard has not kept up with recent trends. The MPICH implementation of MPI provides a platform for implementing and experimenting with new proposals and extensions to fill this gap and to gain valuable experience and feedback before the MPI Forum can consider them for standardization. Here, in this work, we detail six extensions implemented in MPICH to increase MPI interoperability with other runtimes, with a specific focus on heterogeneous architectures. First, the extension to MPI generalized requests lets applications integrate asynchronous tasks into MPI’s progress engine. Second, the iovec extension to datatypes lets applications use MPI datatypes as a general-purpose data layout API beyond just MPI communications. Third, a new MPI object, MPIX_Stream, can be used by applications to identify execution contexts beyond MPI processes, including threads and GPU streams. MPIX stream communicators can be created to make existing MPI functions thread-aware and GPU-aware, thus providing applications with explicit ways to achieve higher performance. Fourth, MPIX Streams are extended to support the enqueue semantics for offloading MPI communications onto a GPU stream context. Fifth, thread communicators allow MPI communicators to be constructed with individual threads, thus providing a new level of interoperability between MPI and on-node runtimes such as OpenMP. Lastly, we present an extension to invoke MPI progress, which lets users spawn progress threads with fine-grained control to adapt the communication performance to their application designs. We describe the design and implementation of these extensions, provide usage examples, and highlight their expected benefits with performance results.

97 MATHEMATICS AND COMPUTING↗

On the vulnerability of data-driven structural health monitoring models to adversarial attack

Many approaches at the forefront of structural health monitoring rely on cutting-edge techniques from the field of machine learning. Recently, much interest has been directed towards the study of so-called adversarial examples; deliberate input perturbations that deceive machine learning models while remaining semantically identical. This article demonstrates that data-driven approaches to structural health monitoring are vulnerable to attacks of this kind. In the perfect information or ‘white-box’ scenario, a transformation is found that maps every example in the Los Alamos National Laboratory three-storey structure dataset to an adversarial example. Also presented is an adversarial threat model specific to structural health monitoring. The threat model is proposed with a view to motivate discussion into ways in which structural health monitoring approaches might be made more robust to the threat of adversarial attack.

60 APPLIED LIFE SCIENCES↗

Human perceptions of colour rendition vary with average fidelity, average gamut, and gamut shape

An experiment was conducted to evaluate how subjective impressions of color quality vary with changes in average fidelity, average gamut, and gamut shape (which considers the specific hues that are saturated or desaturated). Twenty-eight participants each evaluated 26 lighting conditions—created using four, seven-channel, tunable LED luminaires—in a 3.1 m by 3.7 m room filled with objects selected to cover a range of hue, saturation, and lightness. IES TM-30 fidelity index (Rf) values ranged from 64 to 93, IES TM-30 gamut index (Rg¬) values from 79 to 117, and IES TM-30 Rcs,h1 values (a proxy for gamut shape) from -19% to 26%. All lighting conditions delivered the same nominal illuminance and chromaticity. Participants were asked to rate each condition on eight point semantic differential scales for saturated-dull, normal-shifted, and like-dislike. They were also asked one multiple choice question, classifying the condition as saturated, dull, normal, or shifted. The findings suggest that gamut shape is more important than average gamut for human preference, where reds play a more important role than other hues. Additionally, average fidelity alone is a poor predictor of human perceptions, although Rf was somewhat better than CIE Ra. The most preferred source had a CIE Ra value of 68, and 9 of the top 12 rated products had a CIE Ra value of 73 or less, which indicates that the commonly used criteria of CIE Ra ≥ 80 may be excluding a majority of preferred light sources.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

18 F-flortaucipir (AV-1451) tau PET in frontotemporal dementia syndromes

The tau positron emission tomography (PET) ligand 18 F-flortaucipir binds to paired helical filaments of tau in aging and Alzheimer's disease (AD), but its utility in detecting tau aggregates in frontotemporal dementia (FTD) is uncertain. We performed 18 F-flortaucipir imaging in patients with the FTD syndromes ( n = 45): nonfluent variant primary progressive aphasia (nfvPPA) ( n = 11), corticobasal syndrome (CBS) ( n = 10), behavioral variant frontotemporal dementia (bvFTD) ( n = 10), semantic variant primary progressive aphasia (svPPA) ( n = 2) and FTD associated pathogenic genetic mutations microtubule-associated protein tau ( MAPT ) ( n = 6), chromosome 9 open reading frame 72 ( C9ORF72 ) ( n = 5), and progranulin ( GRN ) ( n = 1). All patients underwent MRI and β-amyloid biomarker testing via 11 C-PiB or cerebrospinal fluid. 18 F-flortaucipir uptake in patients was compared to 53 β-amyloid negative normal controls using voxelwise and pre-specified region of interest approaches. On qualitative assessment, patients with nfvPPA showed elevated 18 F-flortacupir binding in the left greater than right inferior frontal gyrus. Patients with CBS showed elevated binding in frontal white matter, with higher cortical gray matter uptake in a subset of β-amyloid-positive patients. Five of ten patients with sporadic bvFTD demonstrated increased frontotemporal binding. MAPT mutation carriers had elevated 18 F-flortaucipir retention primarily, but not exclusively, in mutations with Alzheimer's-like neurofibrillary tangles. However, tracer retention was also seen in patients with svPPA, and the mutations C9ORF72, GRN predicted to have TDP-43 pathology. Quantitative region-of-interest differences between patients and controls were seen only in inferior frontal gyrus in nfvPPA and left insula and bilateral temporal poles in MAPT carriers. No significant regional differences were found in CBS or sporadic bvFTD. Two patients underwent postmortem neuropathological examination. A patient with C9ORF72 , TDP-43-type B pathology, and incidental co-pathology of scattered neurofibrillary tangles in the middle frontal, inferior temporal gyrus showed corresponding mild 18 F-flortaucipir retention without additional uptake matching the widespread TDP-43 type B pathology. A patient with sporadic bvFTD demonstrated punctate inferior temporal and hippocampus tracer retention, corresponding to the area of severe argyrophilic grain disease pathology. 18 F-flortaucipir in patients with FTD and predicted tauopathy or TDP-43 pathology demonstrated limited sensitivity and specificity. Further postmortem pathological confirmation and development of FTD tau-specific ligands are needed.

60 APPLIED LIFE SCIENCES↗

Construction and accessibility of a cross-species phenotype ontology along with gene annotations for biomedical research [v2; ref status: indexed, http://f1000r.es/2td]

Phenotype analyses, e.g. investigating metabolic processes, tissue formation, or organism behavior, are an important element of most biological and medical research activities. Biomedical researchers are making increased use of ontological standards and methods to capture the results of such analyses, with one focus being the comparison and analysis of phenotype information between species. We have generated a cross-species phenotype ontology for human, mouse and zebrafish that contains classes from the Human Phenotype Ontology, Mammalian Phenotype Ontology, and generated classes for zebrafish phenotypes. We also provide up-to-date annotation data connecting human genes to phenotype classes from the generated ontology. We have included the data generation pipeline into our continuous integration system ensuring stable and up-to-date releases. This article describes the data generation process and is intended to help interested researchers access both the phenotype annotation data and the associated cross-species phenotype ontology. The resource described here can be used in sophisticated semantic similarity and gene set enrichment analyses for phenotype data across species. The stable releases of this resource can be obtained from http://purl.obolibrary.org/obo/hp/uberpheno/ .

59 BASIC BIOLOGICAL SCIENCES↗

Oak Ridge National Laboratory Building Envelope Library (ORNOBEL)

The Oak Ridge National Laboratory Building Envelope Library (ORNOBEL) is a collection of dense exterior building-facade point clouds acquired using a survey-grade terrestrial laser scanner. Each file represents an individual facade from a building on the Oak Ridge National Laboratory (ORNL) campus or in Knoxville, Tennessee, with an average point-cloud resolution of approximately 3 mm. The points in each facade are semantically labeled into three classes: (1) window/door, representing openings in the building envelope; (2) wall, representing planar opaque envelope surfaces; and (3) other, representing the remaining facade-adjacent elements, architectural features, and protrusions. ORNOBEL supports the development, training, and evaluation of advanced deep-learning methods for automated building-envelope segmentation, geometric reconstruction, and building information modeling (BIM).

Maldonado Puente, Bryan [ORNL] (ORCID:000000033880↗

Estimating influenza incidence using search query deceptiveness and generalized ridge regression

Seasonal influenza is a sometimes surprisingly impactful disease, causing thousands of deaths per year along with much additional morbidity. Timely knowledge of the outbreak state is valuable for managing an effective response. The current state of the art is to gather this knowledge using in-person patient contact. While accurate, this is time-consuming and expensive. This has motivated inquiry into new approaches using internet activity traces, based on the theory that lay observations of health status lead to informative features in internet data. These approaches risk being deceived by activity traces having a coincidental, rather than informative, relationship to disease incidence; to our knowledge, this risk has not yet been quantitatively explored. We evaluated both simulated and real activity traces of varying deceptiveness for influenza incidence estimation using linear regression. We found that deceptiveness knowledge does reduce error in such estimates, that it may help automatically- selected features perform as well or better than features that require human curation, and that a semantic distance measure derived from the Wikipedia article category tree serves as a useful proxy for deceptiveness. This suggests that disease incidence estimation models should incorporate not only data about how internet features map to incidence but also additional data to estimate feature deceptiveness. By doing so, we may gain one more step along the path to accurate, reliable disease incidence estimation using internet data. This capability would improve public health by decreasing the cost and increasing the timeliness of such estimates.

59 BASIC BIOLOGICAL SCIENCES↗

Disease Prediction Models and Operational Readiness

INTRODUCTION: The objective of this manuscript is to present a systematic review of biosurveillance models that operate on select agents and can forecast the occurrence of a disease event. One of the primary goals of this research was to characterize the viability of biosurveillance models to provide operationally relevant information for decision makers to identify areas for future research. Two critical characteristics differentiate this work from other infectious disease modeling reviews. First, we reviewed models that attempted to predict the disease event, not merely its transmission dynamics. Second, we considered models involving pathogens of concern as determined by the US National Select Agent Registry (as of June 2011). Methods: We searched dozens of commercial and government databases and harvested Google search results for eligible models utilizing terms and phrases provided by public health analysts relating to biosurveillance, remote sensing, risk assessments, spatial epidemiology, and ecological niche-modeling, The publication date of search results returned are bound by the dates of coverage of each database and the date in which the search was performed, however all searching was completed by December 31, 2010. This returned 13,767 webpages and 12,152 citations. After de-duplication and removal of extraneous material, a core collection of 6,503 items was established and these publications along with their abstracts are presented in a semantic wiki at http://BioCat.pnnl.gov. Next, PNNL’s IN-SPIRE visual analytics software was used to cross-correlate these publications with the definition for a biosurveillance model resulting in the selection of 54 documents that matched the criteria resulting Ten of these documents, However, dealt purely with disease spread models, inactivation of bacteria, or the modeling of human immune system responses to pathogens rather than predicting disease events. As a result, we systematically reviewed 44 papers and the results are presented in this analysis.

biosecurity↗

Muscle Logic: New Knowledge Resource for Anatomy Enables Comprehensive Searches of the Literature on the Feeding Muscles of Mammals

Here we present the Mammalian Feeding Muscle Ontology (MFMO), a multi-species ontology focused on anatomical structures that participate in feeding and other oral/pharyngeal behaviors. A unique feature of the MFMO is that a simple, computable, definition of each muscle, which includes its attachments and innervation, is true across mammals. This construction mirrors the logical foundation of comparative anatomy and permits searches using language familiar to biologists. Further, it provides a template for muscles that will be useful in extending any anatomy ontology. The MFMO is developed to support the Feeding Experiments End-User Database Project (FEED, https://feedexp.org/), a publicly-available, online repository for physiological data collected from in vivo studies of feeding (e.g., mastication, biting, swallowing) in mammals. Currently the MFMO is integrated into FEED and also into two literature-specific implementations of Textpresso, a text-mining system that facilitates powerful searches of a corpus of scientific publications. We evaluate the MFMO by asking questions that test the ability of the ontology to return appropriate answers (competency questions). Lastly, we compare the results of queries of the MFMO to results from similar searches in PubMed and Google Scholar. Our tests demonstrate that the MFMO is competent to answer queries formed in the common language of comparative anatomy, but PubMed and Google Scholar are not. Overall, our results show that by incorporating anatomical ontologies into searches, an expanded and anatomically comprehensive set of results can be obtained. The broader scientific and publishing communities should consider taking up the challenge of semantically enabled search capabilities.

59 BASIC BIOLOGICAL SCIENCES↗

Knowledge Beacons: Web services for data harvesting of distributed biomedical knowledge

The continually expanding distributed global compendium of biomedical knowledge is diffuse, heterogeneous and huge, posing a serious challenge for biomedical researchers in knowledge harvesting: accessing, compiling, integrating and interpreting data, information and knowledge. In order to accelerate research towards effective medical treatments and optimizing health, it is critical that efficient and automated tools for identifying key research concepts and their experimentally discovered interrelationships are developed. As an activity within the feasibility phase of a project called “Translator” (https://ncats.nih.gov/translator) funded by the National Center for Advancing Translational Sciences (NCATS) to develop a biomedical science knowledge management platform, we designed a Representational State Transfer (REST) web services Application Programming Interface (API) specification, which we call a Knowledge Beacon. Knowledge Beacons provide a standardized basic API for the discovery of concepts, their relationships and associated supporting evidence from distributed online repositories of biomedical knowledge. This specification also enforces the annotation of knowledge concepts and statements to the NCATS endorsed the Biolink Model data model and semantic encoding standards (https://biolink.github.io/biolink-model/). Implementation of this API on top of diverse knowledge sources potentially enables their uniform integration behind client software which will facilitate research access and integration of biomedical knowledge.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

A pre-training and self-training approach for biomedical named entity recognition

Named entity recognition (NER) is a key component of many scientific literature mining tasks, such as information retrieval, information extraction, and question answering; however, many modern approaches require large amounts of labeled training data in order to be effective. This severely limits the effectiveness of NER models in applications where expert annotations are difficult and expensive to obtain. In this work, we explore the effectiveness of transfer learning and semi-supervised self-training to improve the performance of NER models in biomedical settings with very limited labeled data (250-2000 labeled samples). We first pre-train a BiLSTM-CRF and a BERT model on a very large general biomedical NER corpus such as MedMentions or Semantic Medline, and then we fine-tune the model on a more specific target NER task that has very limited training data; finally, we apply semi-supervised self-training using unlabeled data to further boost model performance. We show that in NER tasks that focus on common biomedical entity types such as those in the Unified Medical Language System (UMLS), combining transfer learning with self-training enables a NER model such as a BiLSTM-CRF or BERT to obtain similar performance with the same model trained on 3x-8x the amount of labeled data. We further show that our approach can also boost performance in a low-resource application where entities types are more rare and not specifically covered in UMLS.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

An intensity-based post-processing tool for 3D instance segmentation of organelles in soft X-ray tomograms

Investigating the 3D structures and rearrangements of organelles within a single cell is critical for better characterizing cellular function. Imaging approaches such as soft X-ray tomography have been widely applied to reveal a complex subcellular organization involving multiple inter-organelle interactions. However, 3D segmentation of organelle instances has been challenging despite its importance in organelle characterization. Here we propose an intensity-based post-processing tool to identify and separate organelle instances. Our tool separates sphere-like (insulin vesicle) and columnar-shaped organelle instances (mitochondrion) based on the intensity of raw tomograms, semantic segmentation masks, and organelle morphology. We validate our tool using synthetic tomograms of organelles and experimental tomograms of pancreatic β -cells to separate insulin vesicle and mitochondria instances. As compared to the commonly used connected regions labeling, watershed, and watershed + Gaussian filter methods, our tool results in improved accuracy in identifying organelles in the synthetic tomograms and an improved description of organelle structures in β -cell tomograms. In addition, under different experimental treatment conditions, significant changes in volumes and intensities of both insulin vesicle and mitochondrion are observed in our instance results, revealing their potential roles in maintaining normal β -cell function. Our tool is expected to be applicable for improving the instance segmentation of other images obtained from different cell types using multiple imaging modalities.

59 BASIC BIOLOGICAL SCIENCES↗

Phenopacket-tools: Building and validating GA4GH Phenopackets

The Global Alliance for Genomics and Health (GA4GH) is a standards-setting organization that is developing a suite of coordinated standards for genomics. The GA4GH Phenopacket Schema is a standard for sharing disease and phenotype information that characterizes an individual person or biosample. The Phenopacket Schema is flexible and can represent clinical data for any kind of human disease including rare disease, complex disease, and cancer. It also allows consortia or databases to apply additional constraints to ensure uniform data collection for specific goals. We present phenopacket-tools, an open-source Java library and command-line application for construction, conversion, and validation of phenopackets. Phenopacket-tools simplifies construction of phenopackets by providing concise builders, programmatic shortcuts, and predefined building blocks (ontology classes) for concepts such as anatomical organs, age of onset, biospecimen type, and clinical modifiers. Phenopacket-tools can be used to validate the syntax and semantics of phenopackets as well as to assess adherence to additional user-defined requirements. The documentation includes examples showing how to use the Java library and the command-line tool to create and validate phenopackets. We demonstrate how to create, convert, and validate phenopackets using the library or the command-line application. Source code, API documentation, comprehensive user guide and a tutorial can be found at https://github.com/phenopackets/phenopacket-tools. The library can be installed from the public Maven Central artifact repository and the application is available as a standalone archive. The phenopacket-tools library helps developers implement and standardize the collection and exchange of phenotypic and other clinical data for use in phenotype-driven genomic diagnostics, translational research, and precision medicine applications.

59 BASIC BIOLOGICAL SCIENCES↗

Towards scalable dataframe systems

Dataframes are a popular abstraction to represent, prepare, and analyze data. Despite the remarkable success of dataframe libraries in R and Python, dataframes face performance issues even on moderately large datasets. Moreover, there is significant ambiguity regarding dataframe semantics. In this paper we lay out a vision and roadmap for scalable dataframe systems. To demonstrate the potential in this area, we report on our experience building Modin, a scaled-up implementation of the most widely-used and complex dataframe API today, Python's pandas. With pandas as a reference, we propose a simple data model and algebra for dataframes to ground discussion in the field. Given this foundation, we lay out an agenda of open research opportunities where the distinct features of dataframes will require extending the state of the art in many dimensions of data management. We discuss the implications of signature dataframe features including flexible schemas, ordering, row/column equivalence, and data/metadata fluidity, as well as the piecemeal, trial-and-error-based approach to interacting with dataframes.

97 MATHEMATICS AND COMPUTING↗

QED: A Powerful Query Equivalence Decider for SQL

Checking query equivalence is of great significance in database systems. Prior work in automated query equivalence checking sets the first steps in formally modeling and reasoning about query optimization rules, but only supports a limited number of query features. In this paper, we present Qed, a new framework for query equivalence checking based on bag semantics. Qed uses a new formalism called Q-expressions that models queries using different normal forms for efficient equivalence checking, and models features such as integrity constraints and NULLs in a principled way unlike prior work. Our formalism also allows us to define a new query fragment that encompasses many real-world queries with a complete equivalence checking algorithm, assuming a complete first-order theory solver. Empirically, Qed can verify 299 out of 444 query pairs extracted from the Calcite framework and 979 out of 1287 query pairs extracted from CockroachDB, which is more than 2× the number of cases proven by prior state-of-the-art solver.

Computer Science↗

The Alliance of Genome Resources: Building a Modern Data Ecosystem for Model Organism Databases

Model organisms are essential experimental platforms for discovering gene functions, defining protein and genetic networks, uncovering functional consequences of human genome variation, and for modeling human disease. For decades, researchers who use model organisms have relied on Model Organism Databases (MODs) and the Gene Ontology Consortium (GOC) for expertly curated annotations, and for access to integrated genomic and biological information obtained from the scientific literature and public data archives. Through the development and enforcement of data and semantic standards, these genome resources provide rapid access to the collected knowledge of model organisms in human readable and computation-ready formats that would otherwise require countless hours for individual researchers to assemble on their own. Since their inception, the MODs for the predominant biomedical model organisms [Mus sp (laboratory mouse), Saccharomyces cerevisiae, Drosophila melanogaster, Caenorhabditis elegans, Danio rerio, and Rattus norvegicus] along with the GOC have operated as a network of independent, highly collaborative genome resources. In 2016, these six MODs and the GOC joined forces as the Alliance of Genome Resources (the Alliance). By implementing shared programmatic access methods and data-specific web pages with a unified "look and feel," the Alliance is tackling barriers that have limited the ability of researchers to easily compare common data types and annotations across model organisms. To adapt to the rapidly changing landscape for evaluating and funding core data resources, the Alliance is building a modern, extensible, and operationally efficient "knowledge commons" for model organisms using shared, modular infrastructure.

59 BASIC BIOLOGICAL SCIENCES↗