Results for “AUTO Program” | Engineering Papers

DOE OSTI2024

Business Opportunities in Clean Energy Supply Chains: Guidebook for Small and Medium-Sized Automotive Suppliers

This is the final report for the referenced TCF award which ran from Oct. 2019 through Jan. 2024 in conjunction with the industry partner Swift Solar. The long duration of the program was due to several factors including the pandemic and a technical work stoppage due to changes in the scope. Additionally, Swift’s business focus shifted during the course of the program. As a result of these factors, this program underwent two distinct modifications that dramatically changed the work scope. The following report is organized into three separate sections, each of which addresses a distinct work scope. Those scope changes, what necessitated them, and any new tasks/milestones are given, briefly, at the top of each section. The work performed was research on the hybrid halide perovskites (HHP), both the absorber material itself as well as other material layers that are required in a full device stack. At the start of the period of performance, there were two distinct challenges that we sought to address: (1) a wide band gap absorber (>1.6 eV), and (2) a recombination layer for tandem devices that provided good sequestration of the individual cell absorber materials in their respective device layers. NREL had previously published, and patented, advancements in both of these areas and they were the focus of much of the work throughout the program. The auto manufacturing space is evolving quickly. Sales of various electrified vehicles (xEVs) continue to grow steadily, which has medium to long-term ramifications for the thousands of U.S. manufacturers and hundreds of thousands of workers that contribute to the domestic automotive supply chain. In tandem with this growth in xEV sales, domestic clean energy manufacturing is surging (both for the xEV supply chain and other technologies), with public incentives spurring billions in private sector investment. Moreover, the next 2–3 years will see new and expanded industrial facilities come online to make products like hydrogen electrolyzers, solar panels, batteries, advanced electronics—and will create new supply chain needs and business opportunities as they do. DOE’s Office of Manufacturing and Energy Supply Chains (MESC) and Argonne National Laboratory developed this report to help automotive manufacturers—alongside various business support partners— understand these trends and their response options, and to make the most of current federal assistance programs for manufacturers. These market changes may create opportunities for small- and medium-sized manufacturers (SMMs) to expand production, grow profit margins, and diversify their businesses. For instance, SMMs could take advantage of engineering and process design similarities with new end-use industries that might enable greater business growth and stability as markets continue to change.

14 SOLAR ENERGY↗

DOE OSTI2024

MUPPET: An automated OpenMP mutation testing framework for performance optimization

MUPPET is a tool for OpenMP programs that identifies program modifications, called mutations, aimed at improving program performance. Existing performance optimization techniques, including profiling-based and auto-tuning techniques, fail to indicate program modifications at the source level thus preventing their portability across compilers. MUPPET aims to help HPC developers reason about performance defects and missed opportunities to improve performance at the source code level.

Parasyris, Konstantinos↗

DOE OSTI2024

Large language model evaluation for high–performance computing software development

We apply AI-assisted large language model (LLM) capabilities of GPT-3 targeting high-performance computing (HPC) kernels for (i) code generation, and (ii) auto-parallelization of serial code in C ++, Fortran, Python and Julia. Our scope includes the following fundamental numerical kernels: AXPY, GEMV, GEMM, SpMV, Jacobi Stencil, and CG, and language/programming models: (1) C++ (e.g., OpenMP [including offload], OpenACC, Kokkos, SyCL, CUDA, and HIP), (2) Fortran (e.g., OpenMP [including offload] and OpenACC), (3) Python (e.g., numpy, Numba, cuPy, and pyCUDA), and (4) Julia (e.g., Threads, CUDA.jl, AMDGPU.jl, and KernelAbstractions.jl). Kernel implementations are generated using GitHub Copilot capabilities powered by the GPT-based OpenAI Codex available in Visual Studio Code given simple + + prompt variants. To quantify and compare the generated results, we propose a proficiency metric around the initial 10 suggestions given for each prompt. For auto-parallelization, we use ChatGPT interactively giving simple prompts as in a dialogue with another human including simple “prompt engineering” follow ups. Results suggest that correct outputs for C++ correlate with the adoption and maturity of programming models. For example, OpenMP and CUDA score really high, whereas HIP is still lacking. We found that prompts from either a targeted language such as Fortran or the more general-purpose Python can benefit from adding language keywords, while Julia prompts perform acceptably well for its Threads and CUDA.jl programming models. Finally, we expect to provide an initial quantifiable point of reference for code generation in each programming model using a state-of-the-art LLM. Overall, understanding the convergence of LLMs, AI, and HPC is crucial due to its rapidly evolving nature and how it is redefining human-computer interactions.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2025

A multi-language auto differentiation package (mAD) v1.0

This is a multi-language auto differentiation package. It includes multiple language versions of the package. It can be included/used as a module/class in users' application program to enable differentiability of the program. It is simple, transparent, extensible, efficient compared with the other AD package such as Enzyme or Pytorch.

Qiang, Ji [Lawrence Berkeley National Laboratory (↗

DOE OSTI2026

Validation of the DESI DR2 Ly$α$ forest full-shape analysis

We present the validation of the Dark Energy Spectroscopic Instrument (DESI) Data Release 2 (DR2) Lyman-$α$ (Ly$α$) forest full-shape analysis. This analysis combines three-dimensional Ly$α$ forest auto-correlations and cross-correlations with quasars to extract information from both the baryon acoustic oscillation (BAO) feature and the broadband clustering signal, with primary emphasis on the Alcock-Paczynski (AP) measurement. Compared to the DESI DR1 analysis, the DR2 validation uses substantially larger and more realistic mock datasets, including CoLoRe 2LPT and AbacusSummit Ly$α$ forest simulations. The modeling framework is also improved through analytic marginalization over small scales ($<10$$h^{-1}$Mpc) and the impact of ultraviolet background fluctuations. The validation program was completed prior to unblinding and defines quantitative requirements for the cosmological parameters of interest, which are evaluated using hundreds of mock realizations. We further test the analysis through independent fits to the auto- and cross-correlations, multiple catalog splits, and a broad suite of analysis and modeling variations applied to both mocks and blinded observational data. We find that the BAO and AP parameters satisfy all validation requirements and remain stable across all tests. In contrast, mock studies reveal a significant bias in the inferred growth-rate parameter $fσ_8$, leading us to exclude this measurement from the final analysis. The consistency across mocks, data splits, and robustness tests demonstrates that the DR2 Ly$α$ full-shape analysis provides a reliable and substantially improved broadband AP measurement over previous Ly$α$ forest studies.

Herbold, M. [Chicago U., KICP; Ohio State U.] (ORC↗

DOE OSTI2025

JuTrack: A Julia package for auto-differentiable accelerator modeling and particle tracking

Efficient accelerator modeling and particle tracking are key for the design and configuration of modern particle accelerators. In this work, we present JuTrack, a nested accelerator modeling package developed in the Julia programming language and enhanced with compiler-level automatic differentiation (AD). With the aid of AD, JuTrack enables rapid derivative calculations in accelerator modeling, facilitating sensitivity analyses and optimization tasks. Here we demonstrate the effectiveness of AD-derived derivatives through several practical applications, including sensitivity analysis of space-charge-induced emittance growth, nonlinear beam dynamics analysis for a synchrotron light source, and lattice parameter tuning of the future Electron-Ion Collider (EIC). Through the incorporation of automatic differentiation, this package opens up new possibilities for accelerator physicists in beam physics studies and accelerator design optimization.

43 PARTICLE ACCELERATORS↗

DOE OSTI2026

SIMD Programming for the SMASH Shock Physics Code

Many modern CPUs that are available to the NNSA as mission computing resources support vector instruction sets. Making good use of vector instructions, referred to as “vectorization”, is often critical to getting the best performance from these CPUs. While other codes choose to rely on compiler auto-vectorization, the SMASH shock physics code chooses to leverage APIs for explicit vectorization. These APIs are similar to directly calling the CPU vendor’s vector intrinsics, with the additional benefit of being vendor-agnostic. This document explains what the SIMD APIs are and how to use them in developing SMASH.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2025

Agentic AI vs ML-Based Autotuning: A Comparative Study for Loop Reordering Optimization

High Performance Computing (HPC) applications rely heavily on code optimizations to achieve good performance on modern CPU and GPU architectures. Traditional Machine Learning auto-tuning approaches have demonstrated success in exploring high-dimensional spaces, but they often require expensive compile-run evaluations and lack adaptability for large HPC applications. The recent advances in Large Language Models (LLMs) and Agentic AI systems raise intriguing questions about the potential of these approaches to address specific optimization methodologies. This work aims to answer an essential question for the HPC community: “How Agentic AI Systems Compare to Traditional ML Autotuning Techniques?” To address this question, we present a comparative analysis between a traditional ML-based optimization approach and an Agentic AI system, evaluating their respective capabilities and limitations for loop-level optimization. In addition, we introduced a new Agentic AI system named LoopGen-AI using three different Large Language Models: GPT-4.1, Claude 4.0, and Gemini 2.5. A key finding is that LoopGen-AI achieves competitive per-formance with only a few program runs, the reasoning logs from the agents revealed that their decisions rely heavily on the combination of semantic understanding of the target kernel with dynamic feedback from the environment, highlighting a promising new dimension in performance tuning. In contrast, ML-based autotuners focus on statistical exploration, and require orders of magnitude more runs to reach peak performance. Additionally, our analysis shows that prompt engineering, particularly using Persona + Context Manager patterns, significantly impacts the effectiveness of Agentic AI. Our results indicate that while Agentic AI systems are not yet a complete replacement for ML-based autotuners, it can effectively complement traditional methods.

Rosas, Miguel Romero↗

DOE OSTI2026

Using AI to Reproduce Neutrino Cross Section Analysis - Prototyping the Neutrino Discovery Platform

The Neutrino Discovery Platform (NDP) aims to accelerate DUNE-era science by making the neutrino program's existing datasets analyzable through fast, reproducible, and auditable workflows. We report a working version of two of its layers, data curation and agentic orchestration, built and tested end to end on MINERvA open data. The guiding lesson throughout is that a cross section is a measurement, and not just a plotted shape, only if it carries a defensible systematic-uncertainty budget, a trustworthy unfolding, and a reproducible record. Using a single medium-energy playlist pair from the MINERvA open-data release (about $2.05\times10^{17}$ protons on target of data), we first reproduced the shapes of two published charged-current inclusive $\nu_\mu$ measurements through a complete extraction ladder: selection, background subtraction, D'Agostini unfolding, efficiency correction, and flux normalization. These shape-level reproductions ran and tracked the published results, but they lacked the systematic-uncertainty machinery that defines a MINERvA cross section. To supply it, we vendored and built the MINERvA Analysis Toolkit and developed a many-universe systematic-uncertainty tool that produces a portable covariance artifact, a parallel event-loop runner, and a per-run auditability harness. Validated against a published covariance release, the toolchain reproduces the released statistical, flux, and muon-energy-scale terms and shows that they account for roughly 63\% of the total variance, with the remainder unreleased. Using this same infrastructure, we then performed a measurement of our own design, the hadronic recoil-energy distribution of low-energy ($E_\nu<2.5$~GeV) charged-current inclusive events, and found data/simulation shape agreement of $\chi^2/\mathrm{ndf}=1.26$. Together these results show that the platform supports original physics and not only reproductions.

Breaux, Auto [Tulane U. (main)]↗

DOE OSTI2026

Toward the Neutrino Discovery Platform: An Auditable, Uncertainty-Bearing Toolchain for MINERvA Open-Data Cross-Section Analysis

The Neutrino Discovery Platform (NDP) aims to accelerate DUNE-era science by making the neutrino program's existing datasets analyzable through fast, reproducible, and auditable workflows. We report a working version of two of its layers, data curation and agentic orchestration, built and tested end to end on MINERvA open data. The guiding lesson throughout is that a cross section is a measurement, and not just a plotted shape, only if it carries a defensible systematic-uncertainty budget, a trustworthy unfolding, and a reproducible record. Using a single medium-energy playlist pair from the MINERvA open-data release (about $2.05\times10^{17}$ protons on target of data), we first reproduced the shapes of two published charged-current inclusive $\nu_\mu$ measurements through a complete extraction ladder: selection, background subtraction, D'Agostini unfolding, efficiency correction, and flux normalization. These shape-level reproductions ran and tracked the published results, but they lacked the systematic-uncertainty machinery that defines a MINERvA cross section. To supply it, we vendored and built the MINERvA Analysis Toolkit and developed a many-universe systematic-uncertainty tool that produces a portable covariance artifact, a parallel event-loop runner, and a per-run auditability harness. Validated against a published covariance release, the toolchain reproduces the released statistical, flux, and muon-energy-scale terms and shows that they account for roughly 63\% of the total variance, with the remainder unreleased. Using this same infrastructure, we then performed a measurement of our own design, the hadronic recoil-energy distribution of low-energy ($E_\nu<2.5$~GeV) charged-current inclusive events, and found data/simulation shape agreement of $\chi^2/\mathrm{ndf}=1.26$. Together these results show that the platform supports original physics and not only reproductions.

Breaux, Auto [Tulane U. (main)]↗