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At least 73 records · Page 4

ADIOS Visualization Schema: A First Step Towards Improving Interdisciplinary Collaboration in High Performance Computing

Scientific communities have benefitted from a significant increase of available computing and storage resources in the last few decades. For science projects that have access to leadership scale computing resources, the capacity to produce data has been growing exponentially. Teams working on such projects must now include, in addition to the traditional application scientists, experts in various disciplines including applied mathematicians for development of algorithms, visualization specialists for large data, and I/O specialists. Sharing of knowledge and data is becoming a requirement for scientific discovery, providing useful mechanisms to facilitate this sharing is a key challenge for e-Science. Our hypothesis is that in order to decrease the time to solution for application scientists we need to lower the barrier of entry into related computing fields. We aim at improving users' experience when interacting with a vast software ecosystem and/or huge amount of data, while maintaining focus on their primary research field. In this context we present our approach to bridge the gap between the application scientists and the visualization experts through a visualization schema as a first step and proof of concept for a new way to look at interdisciplinary collaboration among scientists dealing with big data. The key to our approach is recognizing that our users are scientists who mostly work as islands. They tend to work in very specialized environment but occasionally have to collaborate with other researchers in order to take full advantage of computing innovations and get insight from big data. We present an example of identifying the connecting elements between one of such relationships and offer a liaison schema to facilitate their collaboration.

Computer Science↗

An Interactive Visualization Tool for Large-Scale Building Stock Modeling: Preprint

Recent advancements in data science and high-performance computing are making it easier to run millions of building simulations, but meaningful visualization of such large datasets remains a challenge. This paper presents a new tool developed to view the results of large-scale OpenStudio simulations of national, regional, or local building stocks. The tool processes millions of simulations to calculate measure savings, utility bills, carbon emissions, primary energy, and cost-effectiveness metrics at a high geographic resolution. Interactive visualizations of the building characteristics, consumption, and measure savings data include proportional symbol maps and histogram plots and can be filtered by any building characteristic.

big data↗

LCLS Big Data Handling – How I Learned to Stop Worrying and Love the Data Deluge

Advanced data and computing systems are vital to Linac Coherent Light Source (LCLS) operations, data interpretation and overall scientific productivity. The transition to MHz-era operation marks a fundamental change in scale that requires new infrastructure and architectures to link LCLS to the required scale of computing needed for scientific interpretation. The LCLS-II Data System meets big data challenges by implementing configurable data reduction that can adapt to multiple science areas, real-time analysis frameworks to provide visualization and fast feedback, and the ability to transfer data to local and remote computational facilities for near real time analysis at the appropriate scale. Feature extracted information generated in the data analysis pipeline - at the edge, local compute, or remote High-Performance Computing (HPC) resources - can be used to steer experiments and inform user decisions during beam time. Artificial Intelligence and Machine Learning (AI/ML) techniques present new opportunities to rapidly analyse large datasets and direct experiments, but create new challenges in scaling, adaptability, complexity, and trustworthiness. We describe how the LCLS-II Data System architecture addresses its data-driven challenges in the areas of data acquisition, data processing, data management, and workflow orchestration to decrease the overall time-to-science and provide a vision for future developments.

artificial intelligence↗

SciDAC Visualization and Analytics Center for Enabling Technologies

This project focuses on leveraging scientific visualization and analytics software technology as an enabling technology for increasing scientific productivity and insight. Advances in computational technology have resulted in an "information big bang," which in turn has created a significant data understanding challenge. This challenge is widely acknowledged to be one of the primary bottlenecks in contemporary science. The vision for our Center is to respond directly to that challenge by adapting, extending, creating when necessary and deploying visualization and data understanding technologies for our science stakeholders. Using an organizational model as a Visualization and Analytics Center for Enabling Technologies (VACET), we are well positioned to be responsive to the needs of a diverse set of scientific stakeholders in a coordinated fashion using a range of visualization, mathematics, statistics, computer and computational science and data management technologies.

97 MATHEMATICS AND COMPUTING↗

Galaxy morphological classification in deep-wide surveys via unsupervised machine learning

ABSTRACT Galaxy morphology is a fundamental quantity, which is essential not only for the full spectrum of galaxy-evolution studies, but also for a plethora of science in observational cosmology (e.g. as a prior for photometric-redshift measurements and as contextual data for transient light-curve classifications). While a rich literature exists on morphological-classification techniques, the unprecedented data volumes, coupled, in some cases, with the short cadences of forthcoming ‘Big-Data’ surveys (e.g. from the LSST), present novel challenges for this field. Large data volumes make such data sets intractable for visual inspection (even via massively distributed platforms like Galaxy Zoo), while short cadences make it difficult to employ techniques like supervised machine learning, since it may be impractical to repeatedly produce training sets on short time-scales. Unsupervised machine learning, which does not require training sets, is ideally suited to the morphological analysis of new and forthcoming surveys. Here, we employ an algorithm that performs clustering of graph representations, in order to group image patches with similar visual properties and objects constructed from those patches, like galaxies. We implement the algorithm on the Hyper-Suprime-Cam Subaru-Strategic-Program Ultra-Deep survey, to autonomously reduce the galaxy population to a small number (160) of ‘morphological clusters’, populated by galaxies with similar morphologies, which are then benchmarked using visual inspection. The morphological classifications (which we release publicly) exhibit a high level of purity, and reproduce known trends in key galaxy properties as a function of morphological type at z < 1 (e.g. stellar-mass functions, rest-frame colours, and the position of galaxies on the star-formation main sequence). Our study demonstrates the power of unsupervised machine learning in performing accurate morphological analysis, which will become indispensable in this new era of deep-wide surveys.

Martin, G.↗

SCALING AN URBAN EMERGENCY EVACUATION FRAMEWORK: CHALLENGES AND PRACTICES

Critical infrastructure disruption, caused by severe weather events, natural disasters, terrorist attacks, etc., has significant impacts on urban transportation systems. We built a computational framework to simulate urban transportation systems under critical infrastructure disruption in order to aid real-time emergency evacuation. This framework will use large scale datasets to provide a scalable tool for emergency planning and management. Our framework, World-Wide Emergency Evacuation (WWEE), integrates population distribution and urban infrastructure networks to model travel demand in emergency situations at global level. Also, a computational model of agent-based traffic simulation is used to provide an optimal evacuation plan for traffic operation purpose [1]. In addition, our framework provides a web-based high resolution visualization tool for emergency evacuation modelers and practitioners. We have successfully tested our framework with scenarios in both United States (Alexandria, VA) and Europe (Berlin, Germany) [2]. However, there are still some major drawbacks for scaling this framework to handle big data workloads in real time. On our back-end, lack of proper infrastructure limits us in ability to process large amounts of data, run the simulation efficiently and quickly, and provide fast retrieval and serving of data. On the front-end, the visualization performance of microscopic evacuation results is still not efficient enough due to high volume data communication between server and client. We are addressing these drawbacks by using cloud computing and next-generation web technologies, namely Node.js, NoSQL, WebGL, Open Layers 3 and HTML5 technologies. We will describe briefly about each one and how we are using and leveraging these technologies to provide an efficient tool for emergency management organizations. Our early experimentation demonstrates that using above technologies is a promising approach to build a scalable and high performance urban emergency evacuation framework that can improve traffic mobility and safety under critical infrastructure disruption in today s socially connected world.

cloud computing↗

Canopy 2.1 User Guide

Canopy is a visual analytic software suite, developed by researchers at the Pacific Northwest National Laboratory (PNNL), to support intelligence analysts’ ability to efficiently analyze massive amounts of multimedia data. Canopy incorporates state-of-the-art computer vision algorithms and interactive visualizations so that analysts can comprehend and articulate the big picture, thereby reducing their workload and ultimately the effort of identifying the critical intelligence for decision makers.

Canopy↗

Distributed computing strategies for processing of FT-ICR MS imaging datasets for continuous mode data visualization

High-resolution Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometry imaging enables the spatial mapping and identification of biomolecules from complex surfaces. The need for long time-domain transients, and thus large raw file sizes, results in a large amount of raw data (“big data”) that must be processed efficiently and rapidly. This can be compounded by largearea imaging and/or high spatial resolution imaging. For FT-ICR, data processing and data reduction must not compromise the high mass resolution afforded by the mass spectrometer. The continuous mode “Mosaic Datacube” approach allows high mass resolution visualization (0.001 Da) of mass spectrometry imaging data, but requires additional processing as compared to featurebased processing. We describe the use of distributed computing for processing of FT-ICR MS imaging datasets with generation of continuous mode Mosaic Datacubes for high mass resolution visualization. An eight-fold improvement in processing time is demonstrated using a Dutch nationally available cloud service.

Environmental Molecular Sciences Laboratory↗

Expanding Access to Science Participation: A FAIR Framework for Petascale Data Visualization and Analytics

The massive data generated by scientists daily serve as both a major catalyst for new discoveries and innovations, as well as a significant roadblock that restricts access to the data. Here, our paper introduces a new approach to removing Big Data barriers and democratizing access to petascale data for the broader scientific community. Our novel data fabric abstraction layer allows user-friendly querying of scientific information while hiding the complexities of dealing with file systems or cloud services. We enable FAIR (Findable, Accessible, Interoperable, and Reusable) access to datasets such as NASA’s petascale climate datasets. Our paper presents an approach to managing, visualizing, and analyzing petabytes of data within a browser on equipment ranging from the top NASA supercomputer to commodity hardware like a laptop. Our novel data fabric abstraction utilizes state-of-the art progressive compression algorithms and machine-learning insights to power scalable visualization dashboards for petascale data. The result provides users with the ability to identify extreme events or trends dynamically, expanding access to scientific data and further enabling discoveries. We validate our approach by improving the ability of climate scientists to visually explore their data via three fully interactive dashboards. We further validate our approach by deploying the dashboards and simplified training materials in the classroom at a minority-serving institution. These dashboards, released in simplified form to the general public, contribute significantly to a broader push to democratize the access and use of climate data.

Computer science↗

Fleet DNA Phase 1 Refinement & Phase 2 Implementation; NREL (National Renewable Energy Laboratory)

Fleet DNA acts as a secure data warehouse for medium- and heavy-duty vehicle data. It demonstrates that vehicle drive cycle data can be collected and stored for large-scale analysis and modeling applications. The data serve as a real-world data source for model development and validation. Storage of the results of past/present/future data collection efforts improves analysis efficiency through pooling of shared data and provides the opportunity for 'big data' type analyses. Fleet DNA shows it is possible to develop a common database structure that can store/analyze/report on data sourced from multiple parties, each with unique data formats/types. Data filtration and normalization algorithms developed for the project allow for a wide range of data types and inputs, expanding the project’s potential. Fleet DNA demonstrates the power of integrating Big Data with existing and future tools and analyses: it provides an enhanced understanding and education of users, users can explore greenhouse gases and economic opportunities via AFLEET and ADOPT modeling, drive cycles can be characterized and visualized using DRIVE, high-level vehicle modeling can be performed using real-world drive cycles via FASTSim, and data reporting through Fleet DNA Phase 1 and 2 websites provides external users access to analysis results and gives the opportunity to explore on their own.

33 ADVANCED PROPULSION SYSTEMS↗

Digital archives, big data and image-based culturomics for social impact assessment: Opportunities and challenges

Social impact assessment (SIA) is well-established but uses conventional approaches that have become less effective in recent decades, particularly in relation to declining survey response rates and a lack of youth engagement. Images from digital archives and social media sources are poised to advance the research and practice of SIA by transcending text-based methods with insights into changing landscapes, and human engagement with them. This viewpoint describes progress, challenges and cautions toward the development of such tools (defined as culturomics), using hydroelectricity cases to illustrate potential approaches. These tools build on foundational work in a range of disciplines, including the humanities and computer science. We describe necessary advances in machine learning, image digitization, and data aggregation and visualization techniques, as well as ways to ensure that such tools are carefully tested, applied and interpreted. Challenges include the automation, acquisition and management of datasets, and using these tools appropriately and equitably. Critically, culturomics of any kind must not be used as a replacement for engagement with people, but as complementary to inclusive stakeholder engagement. - Highlights: •Image-based digital archives and social media present opportunities for new SIA tools. •Application-ready big data approaches are emerging across many fields. •SIA scholars, practitioners and stakeholders should engage with culturomics. •Challenges include automation, digitization, interpretation and justice. •Culturomics of any kind must not replace engagement with people.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Integrated Multi Scale Data Analytics and Machine Learning for the Grid; Benchmarking Algorithms and Data Quality Analysis

Machine Learning and Data Analytics are terms which are utilized now ubiquitously throughout grid analytics forums, as a potential solution to the growing big data challenges for the distribution grid. As sensors become inexpensive and common, and communication networks grow, the analytics themselves must adapt and enable consumers and providers to visualize and utilize the data provided effectively. Machine learning is one of the techniques proposed in order to manage this data deluge. This report is a subset of the work in this activity, funded through the DOE Grid Modernization Initiative, to summarize the benchmarking and review of data quality impact on the algorithm sets being developed within each use case area.

42 ENGINEERING↗

Optimization of Energy Flow Through Synthetic Metabolic Modules and Regulatory Networks in a Model Photosynthetic Eukaryotic Microbe

Diatoms are important oceanic photosynthetic microorganisms, responsible for approximately 20% of all carbon fixation on Earth. Additionally, diatoms are attractive metabolic engineering candidates. This investigation leveraged Systems Biology techniques to advance our understanding of and potential to engineer diatoms for bioproducts of societal interest, such as biofuels. Systems Biology combines computational and experimental techniques to understand an organism at the whole-cell level as well as characterize the interface between the organism and its environment. Our research resulted in major contributions to the understanding of systems-level light-driven metabolism. Diatoms have a unique evolutionary history. As a result, existing understanding of photosynthetic metabolism may not be applicable to diatom physiology. We generated, validated, and published a high-quality metabolic model of diatom metabolism facilitating novel insights into these unique organisms. Additionally, we overcame a consistent challenge in the modeling of photosynthetic organisms by integrating light into metabolic models. This result allows realistic assessments of how the light environment affects cell physiology and metabolism, a necessary advancement for bioengineering. Next, we generated several methodologies for integrating large-scale datasets with models of metabolism. These “big data” approaches begin to address a constant challenge in biology, which is translating data into information and understanding. Finally, we built web-based databases for housing, distributing, and visualizing systems-level biology data. These projects created an online ecosystem for sharing, analyzing, and characterizing metabolic information and is currently being used by public and private institutions. Photosynthetic bioengineering has the promise to create high-energy products with minimal inputs. Systems Biology has a long history of facilitating bioengineering of cellular metabolism. However, photosynthetic organisms are only sparsely present in this history. This project and its outputs have accelerated the application of proven Systems Biology techniques to light-driven metabolism. The resulting methodologies will accelerate public and private endeavors leveraging photosynthetic systems in the bioengineering of bioproducts such as biofuels or carbon sequestration.

09 BIOMASS FUELS↗

PlanetSense: A Real-time Streaming and Spatio-temporal Analytics Platform for Gathering Geo-spatial Intelligence from Open Source Data

Geospatial intelligence has traditionally relied on the use of archived and unvarying data for planning and exploration purposes. In consequence, the tools and methods that are architected to provide insight and generate projections only rely on such datasets. Albeit, if this approach has proven effective in several cases, such as land use identification and route mapping, it has severely restricted the ability of researchers to inculcate current information in their work. This approach is inadequate in scenarios requiring real-time information to act and to adjust in ever changing dynamic environments, such as evacuation and rescue missions. In this work, we propose PlanetSense, a platform for geospatial intelligence that is built to harness the existing power of archived data and add to that, the dynamics of real-time streams, seamlessly integrated with sophisticated data mining algorithms and analytics tools for generating operational intelligence on the fly. The platform has four main components – i) GeoData Cloud – a data architecture for storing and managing disparate datasets; ii) Mechanism to harvest real-time streaming data; iii) Data analytics framework; iv) Presentation and visualization through web interface and RESTful services. Using two case studies, we underpin the necessity of our platform in modeling ambient population and building occupancy at scale.

big data architecture↗

Thermally driven phase transition of halide perovskites revealed by big data-powered in situ electron microscopy

Halide perovskites are promising light-absorbing materials for high-efficiency solar cells, while the crystalline phase of halide perovskites may influence the device’s efficiency and stability. In this work, we investigated the thermally driven phase transition of perovskite (CsPbIxBr3—x), which was confirmed by electron diffraction and high-resolution transmission electron microscopy results. CsPbIxBr3—x transitioned from δ phase to α phase when heated, and the γ phase was obtained when the sample was cooled down. The γ phase was stable as long as it was isolated from humidity and air. A template matching-based data analysis method enabled visualization of the thermally driven phase evolution of perovskite during heating. Here, we also proposed a possible atomic movement in the process of phase transition based on our in situ heating experimental data. The results presented here may improve our understanding of the thermally driven phase transition of perovskite as well as provide a protocol for big-data analysis of in situ experiments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

High Performance Data Analytics on a Commodity Private Cloud

Sandia is researching novel methods of analysis for large datasets. The term “Big Data” has been used frequently in recent years to describe a discipline of computer science that attempts to distil an increasing quantity of data into a result or meaningful subset that can be easily visualized and acted upon by human consumers. These data are frequently characterized by one or more of the following: high volume, velocity, variety, and veracity. Sandia scientists and researchers are no strangers to large datasets, which often typify the result of high-performance computing workloads. The challenge for Sandia data scientists, however, comes at the arrival of exascale computing, which has become mandated by executive order for national computing centers. Because of power and networking limitations, exascale computing precludes the movement of datasets at exascale from data production to data analysis. Such analysis must be done in-situ, to mitigate the time and power costs of network transport. Currently, many of Sandia’s data analytics environments exist as independent entities, often specialized for individual use cases, interconnected to other data analytics, high-performance computing, and storage systems. Sandia is procuring, installing, and researching future platforms for such data analytics. A memory footprint of 256 GB per node, fourteen data rate (FDR) InfiniBand networking, PCIe connected non-volatile memory (NVMe) data storage, and an object data store will characterize the coming institutional data analytics platforms. The combined systems will contain 300 compute nodes. A cloud-inspired software stack resulting from collaboration between the Sandia centers will allow the systems to support a flexible mix of user and system-facing workloads and use cases including code development and testing in R and Python, Apache Hadoop and Spark, distributed in-memory databases, graph analytics, emulytics, system log and predictive analytics, and data visualization for institutional and mission customers. These systems will arrive at the end of FY 2015 and production is planned by the spring of FY 2016.

97 MATHEMATICS AND COMPUTING↗

A browser-based tool for visualization and analysis of diffusion MRI data

Human neuroscience research faces several challenges with regards to reproducibility. While scientists are generally aware that data sharing is important, it is not always clear how to share data in a manner that allows other labs to understand and reproduce published findings. Here we report a new open source tool, AFQ-Browser, that builds an interactive website as a companion to a diffusion MRI study. Because AFQ-Browser is portable—it runs in any web-browser—it can facilitate transparency and data sharing. Moreover, by leveraging new web-visualization technologies to create linked views between different dimensions of the dataset (anatomy, diffusion metrics, subject metadata), AFQ-Browser facilitates exploratory data analysis, fueling new discoveries based on previously published datasets. In an era where Big Data is playing an increasingly prominent role in scientific discovery, so will browser-based tools for exploring high-dimensional datasets, communicating scientific discoveries, aggregating data across labs, and publishing data alongside manuscripts.

60 APPLIED LIFE SCIENCES↗

Evolving the Land Information System into a Cloud Computing Service

The Land Information System (LIS) was developed to use advanced flexible land surface modeling and data assimilation frameworks to integrate extremely large satellite- and ground-based observations with advanced land surface models to produce continuous high-resolution fields of land surface states and fluxes. The resulting fields are extremely useful for drought and flood assessment, agricultural planning, disaster management, weather and climate forecasting, water resources assessment, and the like. We envisioned transforming the LIS modeling system into a scientific cloud computing-aware web and data service that would allow clients to easily setup and configure for use in addressing large water management issues. The focus of this Phase 1 project was to determine the scientific, technical, commercial merit and feasibility of the proposed LIS-cloud innovations that are currently barriers to broad LIS applicability. We (a) quantified the barriers to broad LIS utility and commercialization (high performance computing, big data, user interface, and licensing issues); (b) designed the proposed LIS-cloud web service, model-data interface, database services, and user interfaces; (c) constructed a prototype LIS user interface including abstractions for simulation control, visualization, and data interaction, (d) used the prototype to conduct a market analysis and survey to determine potential market size and competition, (e) identified LIS software licensing and copyright limitations and developed solutions, and (f) developed a business plan for development and marketing of the LIS-cloud innovation. While some significant feasibility issues were found in the LIS licensing, overall a high degree of LIS-cloud technical feasibility was found.

54 ENVIRONMENTAL SCIENCES↗