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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 343 records · Page 19

Reductive Analysis with Compiler-Guided Large Language Models for Input-Centric Code Optimizations

Input-centric program optimization aims to optimize code by considering the relations between program inputs and program behaviors. Despite its promise, a long-standing barrier for its adoption is the difficulty of automatically identifying critical features of complex inputs. This paper introduces a novel technique, reductive analysis through compiler-guided Large Language Models (LLMs), to solve the problem through a synergy between compilers and LLMs. It uses a reductive approach to overcome the scalability and other limitations of LLMs in program code analysis. The solution, for the first time, automates the identification of critical input features without heavy instrumentation or profiling, cutting the time needed for input identification by 44× (or 450× for local LLMs), reduced from 9.6 hours to 13 minutes (with remote LLMs) or 77 seconds (with local LLMs) on average, making input characterization possible to be integrated into the workflow of program compilations. Optimizations on those identified input features show similar or even better results than those identified by previous profiling-based methods, leading to optimizations that yield 92.6% accuracy in selecting the appropriate adaptive OpenMP parallelization decisions, and 20-30% performance improvement of serverless computing while reducing resource usage by 50-60%.

Input-Centric Optimization↗

Laboratory Directed Research and Development Program: FY 2024 Completed Projects Report

Oak Ridge National Laboratory (ORNL) is the US Department of Energy’s (DOE’s) largest multiprogram science, technology, and energy laboratory. It possesses distinctive capabilities in a variety of fields, such as neutron science, computing, advanced materials, and nuclear science and technology. Using these capabilities, ORNL conducts basic and applied research and development (R&D) to support DOE’s overarching mission “to ensure America’s security and prosperity by addressing its energy, environmental and nuclear challenges through transformative science and technology solutions.” As a national resource, ORNL also applies its capabilities and skills to the specific needs of other federal agencies and customers through the DOE Strategic Partnership Projects (SPP) Program. Information about the laboratory and its programs is available on the ORNL website. The Laboratory Directed Research and Development (LDRD) Program at ORNL operates under the authority of DOE Order 413.2C, Laboratory Directed Research and Development,3 which establishes DOE’s requirements for the program while providing the laboratory director broad flexibility for program implementation. The LDRD Program funds are obtained through a charge to all laboratory programs. Although it represents a relatively small portion of the overall research budget, the LDRD Program plays an essential role in maintaining the laboratory’s ability to respond to national needs. The program allows ORNL to improve its distinctive capabilities and to enhance its ability to conduct cutting-edge R&D. In accordance with the DOE order, R&D projects funded through the LDRD Program at ORNL support the goals of • maintaining the scientific and technical vitality of the laboratory; • enhancing the laboratory’s ability to address future DOE missions; • fostering creativity and stimulating exploration of forefront areas of science and technology; • serving as a proving ground for new concepts in R&D; and • supporting high-risk, potentially high-value R&D. This report provides an overview of the LDRD Program at ORNL in FY 2024 and contains summaries of all the LDRD research projects that concluded between October 1, 2023, and September 30, 2024.

99 GENERAL AND MISCELLANEOUS↗

Circuit complexity and functionality: A statistical thermodynamics perspective

Circuit complexity, defined as the minimum circuit size required for implementing a particular Boolean computation, is a foundational concept in computer science. Determining circuit complexity is believed to be a hard computational problem. Recently, in the context of black holes, circuit complexity has been promoted to a physical property, wherein the growth of complexity is reflected in the time evolution of the Einstein-Rosen bridge (“wormhole”) connecting the two sides of an anti-de Sitter “eternal” black hole. Here, we are motivated by an independent set of considerations and explore links between complexity and thermodynamics for functionally equivalent circuits, making the physics-inspired approach relevant to real computational problems, for which functionality is the key element of interest. In particular, our thermodynamic framework provides an alternative perspective on the obfuscation of programs of arbitrary length—an important problem in cryptography—as thermalization through recursive mixing of neighboring sections of a circuit, which can be viewed as the mixing of two containers with “gases of gates.” This recursive process equilibrates the average complexity and leads to the saturation of the circuit entropy, while preserving functionality of the overall circuit. The thermodynamic arguments hinge on ergodicity in the space of circuits which we conjecture is limited to disconnected ergodic sectors due to fragmentation. The notion of fragmentation has important implications for the problem of circuit obfuscation as it implies that there are circuits of same size and functionality that cannot be connected via a polynomial number of local moves. Furthermore, we argue that fragmentation is unavoidable unless the complexity classes NP and coNP coincide, a statement that implies the collapse of the polynomial hierarchy of computational complexity theory to its first level.

Science & Technology - Other Topics↗

Microbial spies and bloggers: programming cells to convert environmental information into discernible signals

Microbes regulate their dynamic behaviors using the chemical and physical characteristics of their environment. The ability of microbes to continuously convert this physicochemical information into biochemical information and to use organic matter in the environment as a power source makes these organisms attractive as chassis for building sensors. However, most biosensors have severe limitations when considering applications in hard-to-image settings like soils, sediments, and wastewater. Emerging technologies at the interface of biomolecular design, microbiome engineering, and synthetic biology offer new tools to program cells and communities as biosensors for these settings. Here, in this review, we describe innovations in biosensor outputs that are enabling new applications in complex environments, including reporters that are read out using electrochemical, gas chromatography, hyperspectral imaging, and next-generation sequencing methods. We also discuss computational advances that are accelerating the diversification of sensing components by mining metagenomics data for new transcriptional regulators and by designing allosteric protein switches that directly regulate reporter outputs using analytes. We highlight emerging opportunities for programming undomesticated microbes in communities to function as distributed sensors in the environment. Finally, we discuss the need for responsible biosensor development and to modernize regulatory frameworks to support evidence-based assessment of environmental biosensors.

analyte↗

AI-Enhanced Co-Design for Next-Generation Microelectronics: Innovating Innovation (Workshop Report)

The Artificial Intelligence Enhanced Co-Design for Next Generation Microelectronics virtual workshop was held April 4-5, 2023, and attended by subject matter experts from universities, industry, and national laboratories. This was the third in a series of workshops to motivate the research community to identify and address major challenges facing microelectronics research and production. The 2023 workshop focused on a set of topics from materials to computing algorithms, and included discussions on relevant federal legislation and such as the Creating Helpful Incentives to Produce Semiconductors and Science Act (CHIPS Act) which was signed into law in the summer of 2022. Talks at the workshop included edge computing in radiation environments, new materials for neuromorphic computing, advanced packaging for microelectronics, and new AI techniques. We also received project updates from several of the Department of Energy (DOE) microelectronics co-design projects funded in the fall of 2021, and from three of the Energy Frontier Research Centers (EFRCs) that had been funded in the fall of 2022. The workshop also conducted a set of breakout discussions around the five principal research directions (PRDs) from the 2018 Department of Energy workshop report: 1) define innovative material, device, and architecture requirements driven by applications, algorithms, and software; 2) revolutionize memory and data storage; 3) re-imagine information flow unconstrained by interconnects; 4) redefine computing by leveraging unexploited physical phenomena; 5) reinvent the electricity grid through new materials, devices, and architectures. We tasked each breakout group to consider one primary PRD (and other PRDs as relevant topics arose during discussions) and to address questions such as whether the research community has embraced co-design as a methodology and whether new developments at any level of innovation from materials to programming models requires the research community to reevaluate the PRDs developed back in 2018.

97 MATHEMATICS AND COMPUTING↗

Computer Vision on Edge Devices for the Short Term Prediction of Cloud Cover

Edge Computing and IoT are important pieces of today's technological landscape. Here, we build a low-cost IoT sensor for sky imaging and program it using AWS GreenGrass, one of the leading IoT platforms. We demonstrate remote reprogramming of this device to load software that predicts sun shading events through the linear advection method, which is a baseline algorithm that can be used to benchmark algorithmic improvements in future work. Some future directions for sky imaging research are enumerated.

14 SOLAR ENERGY↗

Volumetric Additive Manufacturing of Dormant Catalytic Chemistries to Generate Silicone Micro‐ and Millifluidic Devices and Instant Molds

Tomographic volumetric additive manufacturing (T‐VAM) rapidly prints solid objects within minutes, accessing photochemistries that are traditionally challenging for layer‐based additive manufacturing methods. This includes high‐viscosity materials, air‐free chemistries, and solid‐state systems. Catalytic chemistries are appealing as a pathway to engineering advanced materials, including tough thermosets, silicone elastomers, and complex block copolymers. However, photoactivated dormant catalytic chemistries, where the catalyst irreversibly activates upon exposure to light, are incompatible with typical tomographic VAM approaches. To address this limitation, a zero‐dose optimization strategy is devised to preserve dormant catalysts in desired regions by keeping them unexposed to light. VAM printed micro‐ and millifluidic devices and instant molds are successfully produced within minutes in silicones polymerized using photoactivated dormant platinum photohydrosilylation catalysts. The printed channels are programmed to be 500 and 2500 µm for the micro‐ and millifluidic devices, and print fidelity is assessed by X‐ray computed tomography. This work demonstrates the potential of zero‐dose optimization to expand the range of chemistries accessible for VAM, enabling the rapid fabrication of complex devices.

Additive Manufacturing↗

Scrutinizing Variables for Checkpoint Using Automatic Differentiation

Checkpoint/Restart (C/R) saves the running state of the programs periodically, which consumes considerable time and system resources. We observe that not every piece of data is involved in the computation in typical HPC applications; such unused data should be excluded from checkpointing for better storage and compute efficiency. We propose a systematic approach that leverages automatic differentiation (AD) to scrutinize every element within variables (e.g., arrays) necessary for checkpointing. This allows us to identify critical and uncritical elements and eliminate uncritical elements from checkpointing. Specifically, we inspect every single element within a variable necessary for checkpointing with an AD tool to determine whether the element has an impact on the application output or not. We validate our approach with all benchmarks from the NPB suite. We visualize the distribution of critical and uncritical elements within a variable with respect to its binary impact (yes or no) on the application output.

Huang, Xin [Kobe University]↗

SmartFuse: Reconfigurable Smart Switches to Accelerate Fused Collectives in HPC Applications

Communication switches have sometimes been augmented to process collectives (e.g., the IBM BlueGene project and the Mellanox SHArP switch). In this work, we find that there is a great acceleration opportunity through the further augmentation of switches to accelerate more complex functions that combine communication with computation. We consider three types of such functions. The first is fully-fused collectives built by fusing multiple existing collectives like Allreduce with Alltoall. The second is semi-fused collectives built by combining a collective with another computation. The third we refer to as higher-order collectives built by combining multiple computations and communications, such as to perform matrix-matrix multiply (PGEMM). In this work, we propose a framework called SmartFuse to accelerate fused collective functions. The core of SmartFuse is a reconfigurable smart switch to support these operations. The semi/fully fused collectives are implemented with a CGRAlike architecture, while higher-order collectives are implemented with a more specialized computational unit that can also schedule communication. Supporting our framework is software to evaluate and translate relevant parts of the input program, compile them into a control data flow graph, and then map this graph to the switch hardware. The proposed framework, once deployed, has the strong potential to accelerate existing HPC applications transparently by encapsulation within an MPI implementation. Experimental results show that this approach improves the performance of the PGEMM kernel, MINIFE, and AMG by, on average, 94%, 15%, and 13%, respectively.

Haghi, Pouya↗

Accessible Content Optimization for Research Needs (ACORN)

ACORN employs a set of automated processes for informing and/or enforcing defined content schemas to create standardized and highly structured data. Because of its standardized data source, ACORN easily applies computer automation to generate communication assets such as PDFs, Powerpoint presentations, and web pages. Built using the memory-safe Rust programming language, ACORN is portable and accessible for use on any Windows, Mac, or Linux machine.

Wohlgemuth, JasonHoward [Oak Ridge National Labora↗

Phlex: Parallel, Hierarchical, and Layered EXecution of data-processing algorithms

Phlex is a computing framework supporting the parallel, hierarchical, and layered execution of data-processing algorithms. It is based on the functional-programming paradigm, thus guaranteeing thread-safety when invoking user-defined pure functions. Phlex allows users to specify arbitrary graph-based hierarchies of data organization, enabling more flexible processing of data as required by the constraints of the program.

Knoepfel, KyleJ. [Fermi National Accelerator Labor↗

OSCAR-Mike: Why not ATAK?

The Office of Nuclear Smuggling Detection and Deterrence (NSDD) is evaluating methods to increase the probability that international partners will detect radioactive materials. One proposed method to accomplish this goal is to improve communications within teams operating in challenging environments. The goal of these improvements would be to enable remote monitoring of detection equipment, share data among end users in the field and subject matter experts, and integrate data from radiation detectors with other types of sensors and camera systems. Accomplishing this goal has the potential to improve the capabilities of currently deployed NSDD equipment. During FY 2021, Oak Ridge National Laboratory demonstrated some core and expanded capabilities of the Android Team Awareness Kit (ATAK), a situational awareness application developed by the US Department of Defense, to enable precision targeting, navigation, and data sharing. During FY 2022, Oak Ridge National Laboratory developed software requirements for an NSDD team awareness kit–based system. The requirements were developed by liaising with NSDD management and subject matter experts to determine NSDD’s needs and by reviewing available software and hardware solutions with US Department of Defense team awareness kit program managers and developers and radiation detection equipment vendors.

97 MATHEMATICS AND COMPUTING↗

Implementing Ordinary Differential Equation Solvers in Rust Programming Language for Modeling Vehicle Powertrain Systems: Preprint

Efficient and accurate ordinary differential equation (ODE) solvers are necessary for powertrain and vehicle dynamics modeling. However, current commercial ODE solvers can be financially prohibitive, leading to a need for accessible, effective, open-source ODE solvers designed for powertrain modeling. Rust is a compiled programming language that has the potential to be used for fast and easy-to-use powertrain models, given its exceptional computational performance, robust package ecosystem, and short time required for modelers to become proficient. However, of the three commonly used (>3,000 downloads) packages in Rust with ODE solver capabilities, only one has more than four numerical methods implemented, and none are designed specifically for modeling physical systems. Therefore, the goal of the Differential Equation System Solver (DESS) was to implement accurate ODE solvers in Rust designed for the component-based problems often seen in powertrain modeling. DESS is a text-based software package that provides a flexible framework for building and solving systems of ODEs. This allows DESS to be included as a dependency for automotive powertrain models that require a variety of solvers and solver configurations. Seven explicit ODE solver methods have been implemented in DESS: Euler’s, Heun’s, midpoint, Ralston’s, classic Runge-Kutta, Bogacki-Shampine, and Cash-Karp. These represent five fixed-step methods and two adaptive-step methods. This paper shows that the solver implementations increase accuracy and computational efficiency compared to Euler's method when modeling a system of three thermal masses in Rust. DESS also includes features designed for modeling component-based physical systems. Users can define relationships between nodes in their system, which the package then translates into a system of equations, leading to simpler and more intuitive code. In the case of a three-thermal-mass system, the user can specify node thermal properties (e.g., thermal capacitance), how nodes are interconnected, and thermal conductance between nodes rather than providing a system of equations. The core contribution from this work is an open-source, text-based Rust package with ODE solvers for automotive powertrain modeling to support cost-free, fast, and accurate simulation.

ADVANCED PROPULSION SYSTEMS↗

EMT-TS Hybrid Simulation for Large Power Grids Considering IBR-Driven Dynamics

The escalating integration of inverter-based resources (IBRs) poses new challenges to power systems by introducing fast dynamics with higher frequencies, which may need to be simulated by an electromagnetic transient (EMT) program. As an alternative to conducting EMT simulations for the entire system, which is typically time consuming, hybrid simulation between EMT and phasor-domain transient stability (TS) can greatly reduce the computational burden while preserving the detailed fast dynamics in the EMT zone. This paper establishes an EMT-TS hybrid simulation platform using open-source tools, specifically ParaEMT, GridPACK, and HELICS, which are the EMT simulator, TS simulator, and interface framework, respectively. Case studies on the 240-bus Western Electricity Coordinating Council (WECC) system demonstrate that the developed ParaEMT-HELICS-GridPACK hybrid simulator can accurately capture both slow electromechanical and fast IBR-driven dynamics with a 2.4x speedup.

electromagnetic transient↗

Design and instrumentation for permanent magnet samples exposed to a radiation environment

This work is part of a larger program to study the effects of radiation on permanent magnets in an accelerator environment. In order to be sure that the permanent magnet samples are accurately placed, measured, and catalogued we have developed a system of sample racks, holders and measuring apparatuses. We have combined these holders and measurement racks with electronics to allow a single computer to catalogue the position and intensity of the magnet measurements. We outline the design of the apparatus, the collection software, and the methodology we will use to collect the data.

Accelerator Physics↗