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At least 289 records · Page 16

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DOE OSTI2026

CyTRICS™ Assessment Report: Whole Home Battery Applications

This report examines the software supply chain security posture of mobile applications developed for consumer whole-house battery and energy-management products. While these applications are not currently integrated with critical infrastructure, their growing role in connected energy domain spaces underscores the importance of understanding the external dependencies, permission structures, and runtime behaviors that could introduce systemic risk; particularly, if adoption expands into more critical environments.

25 ENERGY STORAGE↗

DOE OSTI2017

In-memory integration of existing software components for parallel adaptive unstructured mesh workflows

Unstructured mesh methods, like finite elements and finite volumes, support the effective analysis of complex physical behaviors modeled by partial differential equations over general threedimensional domains. The most reliable and efficient methods apply adaptive procedures with a-posteriori error estimators that indicate where and how the mesh is to be modified. Although adaptive meshes can have two to three orders of magnitude fewer elements than a more uniform mesh for the same level of accuracy, there are many complex simulations where the meshes required are so large that they can only be solved on massively parallel systems.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2013

Detecting and Analyzing Multiple Moving Objects in Crowded Environments with Coherent Motion Regions

Understanding the world around us from large-scale video data requires vision systems that can perform automatic interpretation. While human eyes can unconsciously perceive independent objects in crowded scenes and other challenging operating environments, automated systems have difficulty detecting, counting, and understanding their behavior in similar scenes. Computer scientists at ORNL have a developed a technology termed as "Coherent Motion Region Detection" that invloves identifying multiple indepedent moving objects in crowded scenes by aggregating low-level motion cues extracted from moving objects. Humans and other species exploit such low-level motion cues seamlessely to perform perceptual grouping for visual understanding. The algorithm detects and tracks feature points on moving objects resulting in partial trajectories that span coherent 3D region in the space-time volume defined by the video. In the case of multi-object motion, many possible coherent motion regions can be constructed around the set of trajectories. The unique approach in the algorithm is to identify all possible coherent motion regions, then extract a subset of motion regions based on an innovative measure to automatically locate moving objects in crowded environments.The software reports snapshot of the object, count, and derived statistics ( count over time) from input video streams. The software can directly process videos streamed over the internet or directly from a hardware device (camera).

Cheriyadat, Anil M.↗

DOE OSTI2026

Scientific Discovery with Physics-Informed System Identification (Abbreviated Report)

My fellowship research focused on making physics-based simulations faster and more useful through machine learning. Many problems in science and engineering are governed by partial differential equations, but high-fidelity simulations are often too expensive to run repeatedly. I worked on improving Latent Space Dynamics Identification (LaSDI), a reduced-order modeling framework that compresses large simulation data sets into a smaller representation and then learns how that representation evolves over time. The motivation was to develop reduced models that remain accurate for more challenging systems, especially when predictions must remain reliable over long time intervals or when the underlying dynamics are more complicated than standard methods can easily handle. I also contributed to related work on Quandary, a high-performance software effort for simulation and control of open quantum systems, before focusing primarily on Latent Space Dynamics Identification methods. The main outcomes of the fellowship were two new algorithms (both of which were published), Rollout-LaSDI and Higher-Order LaSDI, together with supporting work on multi-stage Latent Space Dynamics Identification. Rollout-LaSDI improved long-term prediction by training the model to stay accurate over extended time horizons, and Higher-Order LaSDI broadened the method so it could model systems with higher-order time dynamics. My contributions to multistage Latent Space Dynamics Identification also helped show that its later training stages could be simplified without losing effectiveness, and that this behavior held across different model architectures and training strategies. Taken together, these advances improved the accuracy, flexibility, and practical value of reduced-order modeling tools for computational science.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2011

Simulation tool for optical design of PET detector modules including scintillator material and sensor array

The appearance of single photon avalanche diodes (SPADs) in the field of PET detector modules made it necessary to apply more complex optical design methods to refine the performance of such assemblies. We developed a combined simulation tool that is capable to model complex detector structures including scintillation material, light guide, light collection optics and sensor, correctly taking into account the statistical behavior of emission of scintillation light and its absorbance in SPADs. As a validation we compared simulation results obtained by our software and another optical design program. Calculations were performed for a simple PET detector arrangement used for testing purposes. According to the results, deviation of center of gravity coordinates between the two simulations is 0.0195 mm, the average ratio of total counts 1.0052. We investigated the error resulting from finite sampling in wavelength space and we found that 20 nm pitch is sufficient for the simulation in case of the given spectral dependencies. (authors)

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2020

Characterizing Output Bottlenecks of a Production Supercomputer: Analysis and Implications

This article studies the I/O write behaviors of the Titan supercomputer and its Lustre parallel file stores under production load. The results can inform the design, deployment, and configuration of file systems along with the design of I/O software in the application, operating system, and adaptive I/O libraries.We propose a statistical benchmarking methodology to measure write performance across I/O configurations, hardware settings, and system conditions. Moreover, we introduce two relative measures to quantify the write-performance behaviors of hardware components under production load. In addition to designing experiments and benchmarking on Titan, we verify the experimental results on one real application and one real application I/O kernel, XGC and HACC IO, respectively. These two are representative and widely used to address the typical I/O behaviors of applications.In summary, we find that Titan’s I/O system is variable across the machine at fine time scales. This variability has two major implications. First, stragglers lessen the benefit of coupled I/O parallelism (striping). Peak median output bandwidths are obtained with parallel writes to many independent files, with no striping or write sharing of files across clients (compute nodes). I/O parallelism is most effective when the application—or its I/O libraries—distributes the I/O load so that each target stores files for multiple clients and each client writes files on multiple targets in a balanced way with minimal contention. Second, our results suggest that the potential benefit of dynamic adaptation is limited. In particular, it is not fruitful to attempt to identify “good locations” in the machine or in the file system: component performance is driven by transient load conditions and past performance is not a useful predictor of future performance. For example, we do not observe diurnal load patterns that are predictable.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2020

Parameter Sensitivity Analysis of the SparTen High Performance Sparse Tensor Decomposition Software (Extended Analysis)

Tensor decomposition models play an increasingly important role in modern data science applications. One problem of particular interest is fitting a low-rank Canonical Polyadic (CP) tensor decomposition model when the tensor has sparse structure and the tensor elements are nonnegative count data. SparTen is a high-performance C++ library which computes a low-rank decomposition using different solvers: a first-order quasi-Newton or a second-order damped Newton method, along with the appropriate choice of runtime parameters. Since default parameters in SparTen are tuned to experimental results in prior published work on a single real-world dataset conducted using MATLAB implementations of these methods, it remains unclear if the parameter defaults in SparTen are appropriate for general tensor data. Furthermore, it is unknown how sensitive algorithm convergence is to changes in the input parameter values. This report addresses these unresolved issues with large-scale experimentation on three benchmark tensor data sets. Experiments were conducted on several different CPU architectures and replicated with many initial states to establish generalized profiles of algorithm convergence behavior.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2017

ProteoSign: an end-user online differential proteomics statistical analysis platform

Profiling of proteome dynamics is crucial for understanding cellular behavior in response to intrinsic and extrinsic stimuli and maintenance of homeostasis. Over the last 20 years, mass spectrometry (MS) has emerged as the most powerful tool for large-scale identification and characterization of proteins. Bottom-up proteomics, the most common MS-based proteomics approach, has always been challenging in terms of data management, processing, analysis and visualization, with modern instruments capable of producing several gigabytes of data out of a single experiment. Here, we present ProteoSign, a freely available web application, dedicated in allowing users to perform proteomics differential expression/abundance analysis in a userfriendly and self-explanatory way. Although several non-commercial standalone tools have been developed for post-quantification statistical analysis of proteomics data, most of them are not end-user appealing as they often require very stringent installation of programming environments, third-party software packages and sometimes further scripting or computer programming. To avoid this bottleneck, we have developed a user-friendly software platform accessible via a web interface in order to enable proteomics laboratories and core facilities to statistically analyse quantitative proteomics data sets in a resource-efficient manner. ProteoSign is available at http://bioinformatics.med.uoc.gr/ProteoSign and the source code at https://github.com/yorgodillo/ ProteoSign.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2020

Heat Integration Optimization and Dynamic Modeling Investigation for Advancing the Coal-Direct Chemical Looping Process

The purpose of the project is to address the optimization and startup operation of a modular coal direct chemical looping (CDCL) combustion system integrated with a steam cycle for power generation to reduce the risks involved in further scale-up of the technology. The modular reactor design of the CDCL process provides flexibility in the fabrication of the reactor and in its operating capacity (i.e. turndown ratio) at the cost of a more complex heat exchange network (HEN) design and integration. To address the technology gaps and advance the efficiency and economic feasibility of the CDCL technology, the project will perform a detailed and comprehensive analysis of the integration of a modular CDCL reactor system and a steam cycle system under both static and transient conditions via HEN process performance simulations and system dynamic modeling, respectively. The scope of work consists of 1) Experimental and computational studies of the CDCL combustor reactor 2) Comprehensive static (i.e. steady-state) system HEN design analysis in CDCL 550 MWe commercial unit for power generation and 3) Dynamic modeling of site specific design of 10MWe CDCL large pilot plant. The project team has successfully developed and validated a kinetic model for the oxidation of oxygen carriers in the combustor using the unreacted shrinking core model (UCSM). The model is capable of capturing the oxidation kinetics of fully or partially reduced oxygen carrier particles. A computational fluid dynamics (CFD) model is developed to simulate the hydrodynamics, heat transfer, and chemical reaction occurring in the CDCL combustor. The model is developed in MFIX and ANSYS Fluent. Key aspects of CDCL combustor operation, including heat transfer, oxygen carrier oxidation, and the transport of oxygen carrier particles, are simulated using this CFD model. The HEN for a commercial scale 550 MWe CDCL power plant is simulated and optimized using ASPEN Plus. Practical design considerations are incorporated based on industrial experiences. The performance and cost for the commercial CDCL plant is updated based on these analyses. A dynamic model for the 10 MWe CDCL pilot plant is developed in ProTRAX simulation software. The model is based on the pilot plant design developed in project DE-FE0027654 “10 MWe CDCL Large Pilot Plang – Pre-FEED Study” and the steam cycle data obtained from Dover Light & Power plant. The transient behaviors during pilot plant load variation are simulated using the dynamic model.

01 COAL, LIGNITE, AND PEAT↗

DOE OSTI2012

Simultaneous {sup 233}U and{sup 235}U characterization through the assay of delayed neutron temporal behavior

Aqueous solutions containing dissolved uranium-233 and uranium-235 were irradiated for 60's in the SLOWPOKE-2 reactor at the Royal Military College of Canada. The temporal behavior of the delayed neutrons produced was recorded by the Facility's Delayed Neutron Counting (DNC) system. The percentage of uranium-233 as a function of total fissile mass present in each sample ranged from 0 to 100% and was predicted by the DNC system with average absolute errors of {+-} 4%. Future work will upgrade the system electronics and software to reduce both uncertainties in timings and electrical noise. Mixture analysis will also be expanded to include plutonium-239 and fissile materials contained in non-aqueous matrices. (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2020

A parametric SPICE model for the simulation of spark gap switches

The use of SPICE-based software for the simulation of pulsed power systems—even large complex systems—has become commonplace in the pulsed power community. This is in contrast to earlier work in the field that relied on specially developed simulation codes such as Sandia’s Screamer or the Navy Research Lab’s Bertha, which natively incorporated models for common pulsed power components such as spark gap switches. Unlike these programs, SPICE programs provide a simple and familiar user interface and wide availability. However, SPICE programs do not include realistic models for key pulsed power circuit devices—including the spark gap switch. While simple switch models do exist in SPICE programs, these can only crudely approximate the behavior of a spark gap. This effort focuses on developing an SPICE circuit model for a gas-filled spark gap switch that is physically realistic while being simple enough to permit simulations to run in reasonable times on typical personal computers. Detailed information is provided for implementation in two common versions of SPICE: LTspice and Orcad PSPICE. Adaptation to other SPICE programs is possible with minimal modification. The model is intended as a design tool that uses physical parameters as inputs to connect it directly to the development of useable pulsed power systems. Data collected from the operation of a high-pressure pulsed-charged switch and a complete 12-stage Marx generator have been used to demonstrate the implementation and accuracy of the model over a wide range of parameters.

Pouncey, J. Cameron (ORCID:0000000153500816)↗

DOE OSTI2015

SU-E-T-235: Data Mining for Evaluating Treatment Performances Over a Large Quantity of Data to Monitor and Improve SBRT Workflow

Purpose: To quality assure a large quantity of retrospective treatment cases for treatment performances by randomly sampling is inefficient. Here we provide a method to efficiently monitor and investigate the QA of SBRT workflow over Mosaiq. Methods: The code developed with Microsoft SQL Server Management Studio 2008R2 and VBA was used for retrieving and sorting data from Mosaiq (version 2.3–2.6 during 2012–2015). SBRT patients were filtered by fractional dose over 350cGy and total fraction number less than 6, which SBRT prescriptions were defined. The quality assurance on the SBRT workflow was focused on the treatment deliveries such as patient positioning setup, CBCT indicated offsets and couch shifted corrections. The treatment delivery were done by Varian Truebeam systems and the record/verify by Mosaiq. Results: Total 82 SBRT patients corresponding to 103 courses and 854 CBCT images were found by the retrieval query. Most centers record daily pre-treatment (Pre-Tx: before treatment shift) image-guided shifts along treatment course for inter-fraction motion record, and it is useful to also verify it with post-treatment imaging (Post-Tx: after treatment CBCT verification) to verify intra-fraction motion. Analyzing the details of daily recorded shifts can reveals the information of patient-setup and staff’s record/verify behaviors. 3 examples were provided as solid evidences and on-going rectification for preventing future mistakes. Conclusions: The report gave feasible examples for inspector to verify a large amount of data during site investigation. This program can also be extended to a scheduled data mining with software to periodical analyze the timely records in Mosaiq, for example, a various control charts for different QA purposes. As the current trend of automation in radiation therapy field, the data mining would be a necessary tool in the future, just as the automatic plan quality evaluation has been under development in Eclipse.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2016

HyRAM (Hydrogen Risk Assessment Models) v. 1.0

HyRAM is a software toolkit for conducting quantitative risk assessment (QRA) and consequence modeling for hydrogen infrastructure and transportation systems. HyRAM contains validated, simplified hydrogen behavior models, a standardized QRA approach, and engineering models and generic data relevant to hydrogen installations. HyRAM 1.0 was developed by Sandia National Laboratories for the U. S. Department of Energy to increase access to technical data about hydrogen and to enable the use of that data to support development and revision of national and international codes and standards with risk assessment and consequence modeling. The HyRAM toolkit integrates analytical and probabilistic models for quantifying accident scenarios, predicting physical effects, and characterizing the impact of hydrogen hazards (including thermal effects from jet fires and overpressure effects from deflagrations in confined areas) on people and structures. HyRAM incorporates generic probabilities for equipment failures for nine types of components, and probabilistic models for the impact of heat flux on humans and structures, with computationally and experimentally validated analytical first order models of hydrogen release and flame physics. Version 1 can be used to quantify the risk and consequences associated with gaseous hydrogen releases from user-defined hydrogen installations.

Groth, Katrina M.↗

DOE OSTI2017

XPRESS: eXascale PRogramming Environment and System Software

The XPRESS project is the research and development of a complete software architecture for Exascale computing. The four major R&D thrusts include: 1) an Exascale lightweight kernel operating system (LXK), based on the Kitten operating system (OS), to manage billion way hardware parallelism, management of faults and power, management of global virtual name space, and other features of future system architectures; 2) a runtime system (HPX-5), co-designed with LXK, based on the ParalleX execution model that supports dynamic resource management and task scheduling; 3) system interfaces for interoperability between the runtime system and both the OS and the runtime system (RIOS); 4) compilation strategies and systems to translate MPI and OpenMP legacy codes to a form that can be run with performance at least as good as a native code implementation. The software architecture development has been driven by performance evaluation of mini-applications developed at Department of Energy Co-Design Centers as well as ancillary in-house developed applications and benchmarks. Research on the ParalleX execution model has been driven by the development of formal semantics and model checkers for the execution model. The major components of the software architecture are: ParalleX execution model – guiding principles for co-design of components of the system stack with advances in locality management and task prioritization through introspection; HPX runtime system – support of application dynamic adaptive resource management, task scheduling, and introspective control policies; LXK operating system – lightweight kernel operating system for order-constant scalability and low/no noise to manage resources; RIOS – a realm of Exascale system operation unique in the XPRESS project that includes the relationship between the new generation of lightweight kernel operating systems and runtime system software; XPI advanced programming model – intermediate form and low-level (readable) programming interface reflecting the ParalleX model, providing a target for source-to- source high level parallel language translation, and supporting early direct programming experimentation and measurement; Performance models & metrics – providing parameters and their mutual sensitivities to guide co-design and quantify operational behavior; Legacy migration – ensuring seamless transition of legacy codes and programming methods to the future generation of ParalleX-based Exascale systems; . Experiments and evaluation – critical to determining degree of effectiveness and likelihood of ultimate success as well as guiding corrective design changes to achieve DOE objectives; and Applications – collaborations with Co-Design Centers and other mission critical codes. The exemplar implementation of the ParalleX execution model, HPX-5, has been released along with five fully ported applications (LULESH, HPCG, SSSP, WAMR, and DASHMM) and multiple microbenchmarks. Using these applications, the system architecture demonstrated dynamic load balancing through active migration, legacy code migration, and data-driven approaches to for graph-like applications. Crucially for Exascale and billion way parallelism, the needs and patterns of irregular applications in HPX-5 were addressed using local flow control rather than relying on globally synchronized data structures.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2017

Estimating a Service-Life Distribution Based on Production Counts and a Failure Database

A manufacturer wanted to compare the service-life distributions of two similar products. These concern product lifetimes after installation (not manufacture). For each product, there were available production counts and an imperfect database providing information on failing units. In the real case, these units were expensive repairable units warrantied against repairs. Failure (of interest here) was relatively rare and driven by a different mode/mechanism than ordinary repair events (not of interest here). Approach: Data models for the service life based on a standard parametric lifetime distribution and a related limited failure population were developed. These models were used to develop expressions for the likelihood of the available data that properly accounts for information missing in the failure database. Results: A Bayesian approach was employed to obtain estimates of model parameters (with associated uncertainty) in order to investigate characteristics of the service-life distribution. Custom software was developed and is included as Supplemental Material to this case study. One part of a responsible approach to the original case was a simulation experiment used to validate the correctness of the software and the behavior of the statistical methodology before using its results in the application, and an example of such an experiment is included here. Because of confidentiality issues that prevent use of the original data, simulated data with characteristics like the manufacturer’s proprietary data are used to illustrate some aspects of our real analyses. Lastly, we also note that, although this case focuses on rare and complete product failure, the statistical methodology provided is directly applicable to more standard warranty data problems involving typically much larger warranty databases where entries are warranty claims (often for repairs) rather than reports of complete failures.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2011

Computational thermal, chemical, fluid, and solid mechanics for geosystems management.

This document summarizes research performed under the SNL LDRD entitled - Computational Mechanics for Geosystems Management to Support the Energy and Natural Resources Mission. The main accomplishment was development of a foundational SNL capability for computational thermal, chemical, fluid, and solid mechanics analysis of geosystems. The code was developed within the SNL Sierra software system. This report summarizes the capabilities of the simulation code and the supporting research and development conducted under this LDRD. The main goal of this project was the development of a foundational capability for coupled thermal, hydrological, mechanical, chemical (THMC) simulation of heterogeneous geosystems utilizing massively parallel processing. To solve these complex issues, this project integrated research in numerical mathematics and algorithms for chemically reactive multiphase systems with computer science research in adaptive coupled solution control and framework architecture. This report summarizes and demonstrates the capabilities that were developed together with the supporting research underlying the models. Key accomplishments are: (1) General capability for modeling nonisothermal, multiphase, multicomponent flow in heterogeneous porous geologic materials; (2) General capability to model multiphase reactive transport of species in heterogeneous porous media; (3) Constitutive models for describing real, general geomaterials under multiphase conditions utilizing laboratory data; (4) General capability to couple nonisothermal reactive flow with geomechanics (THMC); (5) Phase behavior thermodynamics for the CO2-H2O-NaCl system. General implementation enables modeling of other fluid mixtures. Adaptive look-up tables enable thermodynamic capability to other simulators; (6) Capability for statistical modeling of heterogeneity in geologic materials; and (7) Simulator utilizes unstructured grids on parallel processing computers.

99 GENERAL AND MISCELLANEOUS↗

DOE OSTI2011

Data Intensive Architecture for Scalable Cyber Analytics

Cyber analysts are tasked with the identification and mitigation of network exploits and threats. These compromises are difficult to identify due to the characteristics of cyber communication, the volume of traffic, and the duration of possible attack. In this paper, we describe a prototype implementation designed to provide cyber analysts an environment where they can interactively explore a month’s worth of cyber security data. This prototype utilized On-Line Analytical Processing (OLAP) techniques to present a data cube to the analysts. The cube provides a summary of the data, allowing trends to be easily identified as well as the ability to easily pull up the original records comprising an event of interest. The cube was built using SQL Server Analysis Services (SSAS), with the interface to the cube provided by Tableau. This software infrastructure was supported by a novel hardware architecture comprising a Netezza TwinFin® for the underlying data warehouse and a cube server with a FusionIO drive hosting the data cube. We evaluated this environment on a month’s worth of artificial, but realistic, data using multiple queries provided by our cyber analysts. As our results indicate, OLAP technology has progressed to the point where it is in a unique position to provide novel insights to cyber analysts, as long as it is supported by an appropriate data intensive architecture.

Olsen, Bryan K.↗

DOE OSTI2023

Architecture-Preserving Provable Repair of Deep Neural Networks

Deep neural networks (DNNs) are becoming increasingly important components of software, and are considered the state-of-the-art solution for a number of problems, such as image recognition. However, DNNs are far from infallible, and incorrect behavior of DNNs can have disastrous real-world consequences. This paper addresses the problem of architecture-preserving V-polytope provable repair of DNNs. A V-polytope defines a convex bounded polytope using its vertex representation. V-polytope provable repair guarantees that the repaired DNN satisfies the given specification on the infinite set of points in the given V-polytope. An architecture-preserving repair only modifies the parameters of the DNN, without modifying its architecture. The repair has the flexibility to modify multiple layers of the DNN, and runs in polynomial time. It supports DNNs with activation functions that have some linear pieces, as well as fully-connected, convolutional, pooling and residual layers. To the best our knowledge, this is the first provable repair approach that has all of these features. We implement our approach in a tool called APRNN. Using MNIST, ImageNet, and ACAS Xu DNNs, we show that it has better efficiency, scalability, and generalization compared to PRDNN and REASSURE, prior provable repair methods that are not architecture preserving.

97 MATHEMATICS AND COMPUTING↗