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At least 451 records · Page 25

AI Benchmark Democratization and Carpentry

Benchmarks are a cornerstone of modern machine learning, enabling reproducibility, comparison, and scientific progress. However, AI benchmarks are increasingly complex, requiring dynamic, AI-focused workflows. Rapid evolution in model architectures, scale, datasets, and deployment contexts makes evaluation a moving target. Large language models often memorize static benchmarks, causing a gap between benchmark results and real-world performance. Beyond traditional static benchmarks, continuous adaptive benchmarking frameworks are needed to align scientific assessment with deployment risks. This calls for skills and education in AI Benchmark Carpentry. From our experience with MLCommons, educational initiatives, and programs like the DOE's Trillion Parameter Consortium, key barriers include high resource demands, limited access to specialized hardware, lack of benchmark design expertise, and uncertainty in relating results to application domains. Current benchmarks often emphasize peak performance on top-tier hardware, offering limited guidance for diverse, real-world scenarios. Benchmarking must become dynamic, incorporating evolving models, updated data, and heterogeneous platforms while maintaining transparency, reproducibility, and interpretability. Democratization requires both technical innovation and systematic education across levels, building sustained expertise in benchmark design and use. Benchmarks should support application-relevant comparisons, enabling informed, context-sensitive decisions. Dynamic, inclusive benchmarking will ensure evaluation keeps pace with AI evolution and supports responsible, reproducible, and accessible AI deployment. Community efforts can provide a foundation for AI Benchmark Carpentry.

von Laszewski, Gregor [Virginia U.]↗

Canopus: A Paradigm Shift Towards Elastic Extreme-Scale Data Analytics on HPC

Scientific simulations on high performance computing (HPC) platforms generate large quantities of data. To bridge the widening gap between compute and I/O, and enable data to be more efficiently stored and analyzed, simulation outputs need to be refactored, reduced, and appropriately mapped to storage tiers. However, a systematic solution to support these steps has been lacking on the current HPC software ecosystem. To that end, this paper develops Canopus, a progressive JPEGlike data management scheme for storing and analyzing big scientific data. It co-designs the data decimation, compression and data storage, taking the hardware characteristics of each storage tier into considerations. With reasonably low overhead, our approach refactors simulation data into a much smaller, reduced-accuracy base dataset, and a series of deltas that is used to augment the accuracy if needed. The base dataset and deltas are compressed and written to multiple storage tiers. Data saved on different tiers can then be selectively retrieved to restore the level of accuracy that satisfies data analytics. Thus, Canopus provides a paradigm shift towards elastic data analytics and enables end users to make trade-offs between analysis speed and accuracy on-the-fly. We evaluate the impact of Canopus on unstructured triangular meshes, a pervasive data model used by scientific modeling and simulations. In particular, we demonstrate the progressive data exploration of Canopus using the “blob detection” use case on the fusion simulation data.

Lu, Tao↗

Sensor Data Management, Validation, Correction, and Provenance for Building Technologies

Oak Ridge National Laboratory (ORNL) conducts research on technologies that use a wide range of sensors to develop and characterize building energy performance. The management of high-resolution sensor data, analysis, and tracing lineage of such activities is challenging. Missing or corrupt data due to sensor failure, fouling, drifting, calibration error, or data logger failure is another issue. This paper focuses on sensor data management, validation, correction, and provenance to combat these issues, ensuring complete and accurate sensor datasets for building technologies applications and research. The design and development of two integrated software products are discussed: Sensor Data Validation and Correction (SensorDVC) and the Provenance Data Management System (ProvDMS) platform.

Data management↗

Real-time GIS Programming and Geocomputation

Streaming data generated continuously from sensor networks, mobile devices, social media platforms and other edge devices have posed significant challenges to existing computing platforms for achieving both high throughput and low latency data processing in addition to scalable computing. This entry introduces a real-time computing and programming platform for time-critical GIS (Geographic Information System) applications. In this platform, advanced streaming data processing software, such as Apache Kafka and Spark Streaming, are integrated to enable data analytics in real-time. This computing platform can also be extended to integrate GeoAI (Geospatial Artificial Intelligence) based machine learning models to leverage both historical and streaming data to achieve real-time prediction and intelligent geospatial analytics. Two real-time geospatial applications in terms of flood simulation and climate data visualization are introduced to demonstrate how real-time programming and computing can help tackle real-world problems with important societal impacts.

Liu, Yan↗

Cybersecurity and Digital Components: Supply Chain Deep Dive Assessment

The report “America’s Strategy to Secure the Supply Chain for a Robust Clean Energy Transition” lays out the challenges and opportunities faced by the United States in the energy supply chain as well as the federal government plans to address these challenges and opportunities. It is accompanied by several issue-specific deep dive assessments, including this one, in response to Executive Order 14017 “America’s Supply Chains,” which directs the Secretary of Energy to submit a report on supply chains for the energy sector industrial base. The Executive Order is helping the federal government to build more secure and diverse U.S. supply chains, including energy supply chains. As the energy sector has become more globalized and increasingly complex, digitized, and even virtualized, its supply chain risk for digital components – the software, virtual platforms and services, and data – in energy systems has evolved and expanded. All digital components in U.S. energy sector systems are vulnerable and may be subject to cyber supply cha in risks stemming from a variety of threats, vulnerabilities, and impacts. This includes digital components in all systems within the ESIB, namely those systems operated by asset owners across different energy subsectors (e.g., electricity, oil and natural gas, and renewables) and the systems operated by a worldwide industrial complex with capabilities to perform research and development and design, produce, operate, and maintain energy sector systems, subsystems, components, or parts to meet U.S. energy requirements. Supply chain risks for digital components including software, virtual platforms and services, and data have grown in recent years as increasingly sophisticated cyber adversaries have targeted exploiting vulnerabilities in these digital assets. Supply chain risks for digital components in energy sector systems will continue to evolve and likely increase as these systems are increasingly interconnected, digitized, and remotely operated.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Demonstration of repeatability in a high-energy-density planar shear mixing layer experiment

On laser-driven platforms the assumption of experiment repeatability is particularly important due to a typically low data acquisition rate that doesn’t often allow for data redundancy. If the platform is repeatable, then measurements of the repeatable dynamics from multiple experiments can be treated as measurements of the same system. In high-energy-density hydrodynamic instability experiments the interface growth is assumed to be one of the repeatable aspects of the system. In this paper we demonstrate the repeatability of the instability growth in the counter-propagating shear experiment at the OMEGA laser facility, where the instability growth is characterized by the tracer layer thickness or mix-width evolution. Furthermore, in our previous experiment campaigns we have assumed the instability growth was repeatable enough to identify trends, but in this work we explicitly show that the mix-width measurements for nominally identical experiments are repeatable within the measurement error bars.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

The CanBikeCO Full Pilot: Long-Term Results and Analysis From an E-Bike Program in Colorado, USA

Personal micromobility devices like bicycles, e-bikes, and scooters are low- or zero-energy alternatives to single-occupancy vehicles. However, a lack of data has led to a dearth of data-driven research on personally owned e-bike usage. We present longitudinal findings from the CanBikeCO program, focused on e-bike adoption and use across demographics, trip characteristics, and geographies in the state of Colorado. CanBikeCO recorded travel survey data from low-income individuals provided with personal e-bikes by the Colorado Energy Office in six communities across Colorado from July 2021 to December 2022. The data were collected using a custom instance of the National Renewable Energy Laboratory OpenPATH platform, which combines passive data collection with semantic information such as trip mode and purpose labels. To our knowledge, there are no prior travel survey data on personally owned e-bikes with this range and scope. Insights from this unique dataset include: (i) work trips were 17% more likely than average trips to be taken on an e-bike, (ii) e-bikes were most often reported to replace cars (34% of e-bike trips) and other personal micromobility devices (22%), and (iii) participants favored walking for trips less than 1 mile, e-bikes for trips of 1-3 miles, and e-bikes, cars, or shared rides for trips of 3-20 miles. The data used to generate these results have been made available in the Transportation Secure Data Center. We find e-bike use is appealing across age groups and may be related to characteristics of land use, urban form, occupation, income, and car ownership. We conclude for this population that the energy demand added by e-bike use (induced demand and replacing non-motorized modes) is outweighed by the reduction in energy demand from replacement of single-occupancy vehicle trips with e-bike trips. Our findings suggest considerable potential for energy savings from personal e-bike ownership.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Hybrid feature-driven learning system for abnormality detection and localization

A cyber-physical system may have a plurality of monitoring nodes each generating a series of current monitoring node values over time representing current operation of the system. A data-driven features extraction computer platform may receive the series of current monitoring node values and generate current data-driven feature vectors based on the series of current monitoring node values. A residual features extraction computer platform may receive the series of current monitoring node values, execute a system model and utilize a stochastic filter to determine current residual values, and generate current residual-driven feature vectors based on the current residual values. An abnormal detection platform may then receive the current data-driven and residual-driven feature vectors and compare the current data-driven and residual-driven feature vectors with at least one decision boundary associated with an abnormal detection model. An abnormal alert signal may then be transmitted when appropriate based on a result of said comparison.

Abbaszadeh, Masoud↗

Investigating the impacts of solid phase extraction on dissolved organic matter optical signatures and the pairing with high‐resolution mass spectrometry data across a freshwater stream network

Abstract Advancing our understanding of dissolved organic matter (DOM) chemistry in aquatic systems necessitates the integration of data streams from multiple analytical platforms. Some measurements require pretreatment with solid phase extraction (SPE), while others are performed directly on whole water samples. Evidence has suggested that SPE will be biased against select DOM fractions, leading to concerns over the ability to establish data linkages across platforms with variable needs for SPE pretreatment, such as those from optical measurements and those that provide high‐resolution molecular information. Here, we directly addressed this concern by assessing the impact of SPE on DOM optical properties through excitation–emission matrices with parallel factor analysis (PARAFAC) for 47 samples across a stream network within a single watershed reflective of variable DOM sources. PARAFAC data was further paired with molecular information obtained by Fourier transform ion cyclotron resonance mass spectrometry (FTICR‐MS). A comparison of PARAFAC models first revealed no systematic qualitative differences in major components between whole water DOM and DOM isolated by SPE (SPE‐DOM); however, quantitative biases against select components were observed. Further linkages with FTICR‐MS data revealed that the molecular fingerprint associated with each PARAFAC component was consistent between the whole water DOM and SPE‐DOM. Our results suggest that bulk scale linkages across these analytical platforms could be inferred irrespective of the observed quantitative biases resulting from SPE for samples within this example watershed. This work represents a key step toward the systematic evaluation of linkages between optical and high‐resolution mass spectrometry datasets in freshwater lotic environments.

59 BASIC BIOLOGICAL SCIENCES↗

Matrix Factorizations at Scale: a Comparison of Scientific Data Analytics in Spark and C+MPI Using Three Case Studies

We explore the trade-offs of performing linear algebra using Apache Spark, compared to traditional C and MPI implementations on HPC platforms. Spark is designed for data analytics on cluster computing platforms with access to local disks and is optimized for data-parallel tasks. We examine three widely-used and important matrix factorizations: NMF (for physical plausibility), PCA (for its ubiquity) and CX (for data interpretability). We apply these methods to 1.6TB particle physics, 2.2TB and 16TB climate modeling and 1.1TB bioimaging data. The data matrices are tall-and-skinny which enable the algorithms to map conveniently into Spark’s data parallel model. We perform scaling experiments on up to 1600 Cray XC40 nodes, describe the sources of slowdowns, and provide tuning guidance to obtain high performance.

Gittens, Alex↗

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↗

GRDC. A Collaborative Framework for Radiological Background and Contextual Data Analysis

The Radiation Mobile Analysis Platform (RadMAP) is unique in its capability to collect both high quality radiological data from both gamma-ray detectors and fast neutron detectors and a broad array of contextual data that includes positioning and stance data, high-resolution 3D radiological data from weather sensors, LiDAR, and visual and hyperspectral cameras. The datasets obtained from RadMAP are both voluminous and complex and require analyses from highly diverse communities within both the national laboratory and academic communities. Maintaining a high level of transparency will enable analysis products to further enrich the RadMAP dataset. It is in this spirit of open and collaborative data that the RadMAP team proposed to collect, calibrate, and make available online data from the RadMAP system. The Berkeley Data Cloud (BDC) is a cloud-based data management framework that enables web-based data browsing visualization, and connects curated datasets to custom workflows such that analysis products can be managed and disseminated while maintaining user access rights. BDC enables cloud-based analyses of large datasets in a manner that simulates real-time data collection, such that BDC can be used to test algorithm performance on real and source-injected datasets. Using the BDC framework, a subset of the RadMAP datasets have been disseminated via the Gamma Ray Data Cloud (GRDC) that is hosted through the National Energy Research Science Computing (NERSC) Center, enabling data access to over 40 users at 10 institutions.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

A case study on parallel HDF5 dataset concatenation for high energy physics data analysis

In High Energy Physics (HEP), experimentalists generate large volumes of data that, when analyzed, helps us better understand the fundamental particles and their interactions. This data is often captured in many files of small size, creating a data management challenge for scientists. In order to better facilitate data management, transfer, and analysis on large scale platforms, it is advantageous to aggregate data further into a smaller number of larger files. However, this translation process can consume significant time and resources, and if performed incorrectly the resulting aggregated files can be inefficient for highly parallel access during analysis on large scale platforms. In this paper, we present our case study on parallel I/O strategies and HDF5 features for reducing data aggregation time, making effective use of compression, and ensuring efficient access to the resulting data during analysis at scale. We focus on NOvA detector data in this case study, a large-scale HEP experiment generating many terabytes of data. Here, the lessons learned from our case study inform the handling of similar datasets, thus expanding community knowledge related to this common data management task.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Perspectives for self-driving labs in synthetic biology

Self-driving labs (SDLs) combine fully automated experiments and data collection with artificial intelligence (AI) and control algorithms that decide not only the set of parameters for the next experiment, but also potentially which scientific hypotheses to test. Taken to their ultimate expression, SDLs could usher a new paradigm of scientific research, where the world is probed, interpreted, and explained by machines for human benefit. Whereas there are functioning SDLs in the fields of chemistry and materials science, we contend that synthetic biology provides a unique opportunity since the genome provides a single, easily accessible, target for affecting the incredibly wide repertoire of biological cell behavior. Since they can provide large amounts of high-quality data, SDLs can be a platform for AI to develop approaches to systematically convert data into scientific knowledge systems. These knowledge systems can be used both to understand the biological world and to design bioengineered systems to fit a desired specification (inverse design). However, the level of investment required for the creation of biological SDLs is only warranted if directed towards solving difficult and enabling biological questions. Here, we discuss challenges and opportunities in creating SDLs for synthetic biology.

59 BASIC BIOLOGICAL SCIENCES↗

Heterogeneous Visualization: A Call for Empirically Driven Technology Advancement and Adoption; Preprint

Our ability to generate data from simulations and experimental platforms is generally outpacing our ability to analyze those data efficiently and effectively. There are a growing number and variety of possible visualization display modalities, from commodity head-mounted displays to large-scale immersive environments, from desktop and touch displays to high-resolution display walls. Many of these visualization technologies and visual environments are rapidly evolving and could revolutionize analysis for certain classes of complex scientific and engineering data. However, the choice of what technology or combination of technologies to use has historically been largely ad hoc and lacks a carefully validated understanding of how to best utilize different visualization technologies to advance the science. To maximize the impact of our data and analyses, it is imperative that we use the most effective visualization environments for the analysis task at hand.

heterogeneous visualization↗