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At least 19 records

Practical Probabilistic Programming

Recent advances in probabilistic programming languages (PPLs) have provided the capability for exact inference: computing a closed-form probability distribution for a given probabilistic program. In particular, the new language Roulette uses a language oriented programming (LOP) approach, wherein analysts build new programming languages on top of a set of primitives provided by Roulette, which then translates these structures into a weighted model counting problem which can be solved by automated reasoning tools. However, because Roulette provides few convenience features, developing these new languages is challenging even for expert users. We developed a standard library of common probability functions for Roulette with the goal of improved usability. This included approximation of continuous probability density functions using discrete probability mass functions. We demonstrated this approach by modeling a cosmic ray striking a RAM controller. We found that Roulette provides a powerful interface for highly expressive probabilistic programs to be generated. In collaboration with the NNSA Advanced Simulation and Computing program, which resulted in development of a tool called Circulette, we were able to model complex circuits expressed in Verilog using probabilistic programs with an expressivity not previously possible. Our research question that motivated the development of a Roulette standard library was to determine whether non-experts could use a PPL to model relevant problems regarding radiation effects on microelectronics. This standard library improved the expressivity of Roulette by implementing common probability density functions, mathematical operators on distributions, and support for empirical distributions. While Roulette is a powerful modeling language, the untyped, LOP approach makes error messages difficult to understand and requires expert aid. We recommend further research on Roulette, especially with its error messages, to enable improved usability. At the same time, this project demonstrated that for users familiar with Roulette and the LOP approach, Roulette provides powerful new capabilities that can be integrated with other Sandia modeling capabilities.

97 MATHEMATICS AND COMPUTING

Applying Gaussian Process Machine Learning and Modern Probabilistic Programming to Satellite Data to Infer CO 2 Emissions

Satellite data provides essential insights into the spatiotemporal distribution of CO 2 concentrations. However, many atmospheric inverse models fail to adequately incorporate the spatial and temporal correlations inherent in satellite observations and often lack rigorous methods for estimating parameters like spatial length scales. We introduce an inference model that processes the spatiotemporal covariance in satellite data and estimates hyperparameters such as covariance length scales. Our approach uses the Gaussian process (GP) machine learning (ML) and modern probabilistic programming languages (PPLs) to perform atmospheric inversions of emissions from satellite data. We develop a GP ML inversion system based on modern PPLs and the GEOS-Chem chemical transport model, simulating atmospheric CO 2 concentrations corresponding to the Orbiting Carbon Observatory-2/3 (OCO-2/3) data for July 2020. In our supervised learning framework, we treat the GEOS-Chem simulated data set as the target, with predictors derived by scaling the target with sector-specific factors hidden from the GP machine. Our results show that the GP model, combined with GPU-enabled PPLs, effectively retrieves true emission scaling factors and infers noise levels concealed within the data. This suggests that our method could be applied over larger areas with more complex covariance structures, enabling comprehensive analysis of the spatiotemporal patterns observed in OCO-2/3 and similar satellite data sets.

54 ENVIRONMENTAL SCIENCES

arianna-ppl

A probabilistic programming language for python built on numpy

Lui, Arthur

Tough Errors Are no Match (TEAM): Optimizing the Quantum Compiler for Noise Resilience

This report summarizes research performed under the Tough Errors Are no Match (TEAM) project. The primary focus of TEAM has been to research and develop a compilation toolbox leveraging techniques from quantum characterization and control, probabilistic programming, and approximate computing. Our goal was to develop robust protocols that can be integrated into quantum compilers to optimize and enhance the robustness of noisy computation. Here, we provide a summary of TEAM work focused on characterization and control of quantum systems.

97 MATHEMATICS AND COMPUTING

Nuclear rocket design approach

NERVA nuclear rocket engine design technology program, discussing probabilistic techniques for reliability engineering

Helms, I. L.

scANN

SAND2025-00656O scANN, also known as sampling by coinflips artificial neural networks, is a software tool that estimates uncertainty in artificial intelligence by performing Monte Carlo analysis on the weight matrices of feedforward neural networks. This computationally intensive process aims to explore the potential value added by future probabilistic hardware. The program’s output helps researchers gain insights into how probabilistic neural networks work. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

SciDAC

Planning Amidst Uncertainty: Identifying Core CCS Infrastructure Robust to Storage Uncertainty

Carbon Capture and Storage (CCS) is a critical technology for reducing anthropogenic CO2 emissions, but its large-scale deployment is complicated by uncertainties in geological storage performance. These uncertainties pose significant financial and operational risks, as underperforming storage sites can lead to costly infrastructure modifications, inefficient pipeline routing, and economic shortfalls. To address this challenge, we propose a novel optimization workflow that is based on mixed-integer linear programming and explicitly integrates probabilistic modeling of storage uncertainty into CCS infrastructure design. This workflow generates multiple infrastructure scenarios by sampling storage capacity distributions, optimally solving each scenario using a mixed-integer linear programming model, and aggregating results into a heatmap to identify core infrastructure components that have a low likelihood of underperforming. A risk index parameter is introduced to balance trade-offs between cost, CO2 processing capacity, and risk of underperformance, allowing stakeholders to quantify and mitigate uncertainty in CCS planning. Applying this workflow to a CCS dataset from the US Department of Energy’s Carbon Utilization and Storage Partnership project reveals key insights into infrastructure resilience. Reducing the risk index from 15% to 0% is observed to lead to an 83.7% reduction in CO2 processing capacity and a 77.1% decrease in project profit, quantifying the trade-off between risk tolerance and project performance. Furthermore, our results highlight critical breakpoints, where small adjustments in the risk index produce disproportionate shifts in infrastructure performance, providing actionable guidance for decision-makers. Unlike prior approaches that aimed to cheaply repair underperforming infrastructure, our workflow constructs robust CCS networks from the ground up, ensuring cost-effective infrastructure under storage uncertainty. These findings demonstrate the practical relevance of incorporating uncertainty-aware optimization into CCS planning, equipping decision-makers with a tool to make informed project planning decisions.

Olson, Daniel

Methodologies for optimal resource allocation to the national space program and new space utilizations. Volume 1: Technical description

The optimal allocation of resources to the national space program over an extended time period requires the solution of a large combinatorial problem in which the program elements are interdependent. The computer model uses an accelerated search technique to solve this problem. The model contains a large number of options selectable by the user to provide flexible input and a broad range of output for use in sensitivity analyses of all entering elements. Examples of these options are budget smoothing under varied appropriation levels, entry of inflation and discount effects, and probabilistic output which provides quantified degrees of certainty that program costs will remain within planned budget. Criteria and related analytic procedures were established for identifying potential new space program directions. Used in combination with the optimal resource allocation model, new space applications can be analyzed in realistic perspective, including the advantage gain from existing space program plant and on-going programs such as the space transportation system.

Source record

AstraAI v1

AstraAI is an open-source, structure-aware AI coding agent designed for large scientific and DOE-HPC codebases such as AMReX-based applications. Unlike general-purpose coding assistants, AstraAI combines retrieval-augmented generation (RAG) with compiler-level Abstract Syntax Tree (AST) analysis to perform precise, scope-constrained code modifications. It identifies exact function spans, enforces locality of edits, and maintains cross-file invariants, enabling deterministic and build-safe transformations in complex C++/GPU environments. AstraAI is intended for developers working on large, evolving HPC frameworks where correctness, reproducibility, and structural integrity are critical. Typical use cases include modifying physics kernels, updating GPU device lambdas, and performing multi-file refactors without breaking compilation or runtime semantics. Compared to conventional LLM-based coding agents - even those with repository access - AstraAI provides structural guarantees rather than free-form text patches. It minimizes unintended diffs, prevents scope drift, preserves formatting and build stability, and reduces structural hallucinations. By integrating compiler tooling directly into the generation loop, AstraAI transforms AI-assisted coding from probabilistic text editing into deterministic, structure-preserving program transformation suitable for mission-critical scientific software.

Natarajan, Mahesh [Lawrence Berkeley National Labo

Evaluating FRI3D for Cost Savings in Fire Hazard Analysis at DOE Sites

A fire hazard analysis, required for many U.S. Department of Energy (DOE) facilities, is a complex, cumbersome, and costly process. Fire hazard analyses may be viewed as a checkbox, but ideally and in spirit with the DOE-STD-1066, the fire hazard analysis (FHA) should be a part of the workflow and used to help in modifications, maintenance, and improving operational safety. With current FHA development processes, it is both time and cost prohibitive for true integration. A tool called Fire Risk Investigation in 3D or FRI3D was developed under the DOE Light Water Reactor Sustainability program to simplify and automate many aspects of a fire probabilistic risk analysis for existing nuclear power plants. The FRI3D tool automates fire scenarios by combining approved fire simulation codes, U.S. Nuclear Regulatory Commission fire calculations methods, 3D modeling and visualization, and probabilistic risk analysis models into a single workflow supported with a user interface. FRI3D was initially designed for used in combination with a PRA, this case study, evaluated using FRI3D for a plant modification, determined the benefits that detailed fire modeling can have for U.S. Department of Energy facilities with or without a PRA model. It also looked at what tasks from DOE requirements could be reduced using the tool and what is needed to integrate fire hazard analysis into site workflow.

97 - MATHEMATICS AND COMPUTING

Direct simulation Monte Carlo technique for modeling of the environment in the vicinity of the Space Shuttle Orbiter

A program for analyzing the flowfield parameters in the neighborhood of the Space Shuttle Orbiter has been developed. The program uses the direct simulation Monte Carlo method, which is a completely probabilistic Monte Carlo technique capable of analyzing 3-dimensional steady or unsteady flow with prescribed internal and external boundary conditions. The freestream flux densities incident on the external flowfield boundaries are calculated from the drifting Maxwellian gas properties of the freestream. The flux entering the flowfield from the internal boundary is calculated from the outgassing flux density distribution over the Shuttle external surface and the prescribed discrete source fluxes. This technique produces a numerical flowfield solution which is the probabilistic equivalent of a complete solution of the time-dependent, 3-dimensional Boltzmann equation. Flowfield results are presented for the following configurations: (1) Shuttle angles of attack of 0 and 90 deg, (2) freestream density 10 to the 9th - 10 to the 11th per cu cm, (3) Shuttle outgassing flux density, and (4) operation of the aft downfiring vernier Reaction Control System (RCS) engine. Results are presented for column density distribution of outgassed and engine species and for the flux density of outgassed and engine species incident on the Shuttle bay and the windshield.

Melfi, L. T., Jr.

Uncertainty quantification in MELCOR Safety analysis of ARIES reactor designs

MELCOR-TMAP is a combined thermal-hydraulics and tritium tracking code developed to simulate severe accident scenarios in fission and fusion power plants. Here, we demonstrate the results of MELCOR-TMAP analyses on historical ARIES program reference designs. By coupling MELCOR-TMAP with the open source RAVEN probabilistic risk analysis framework’s Bayesian UQ capabilities, we also demonstrate key uncertainties in material properties with the highest impact on tritium inventory and plant risk.

70 - PLASMA PHYSICS AND FUSION TECHNOLOGY

The engineering analysis of solar radiation

A necessary precursor to construction of well-designed, efficient, and economically viable solar energy systems is the engineering analysis not only of the systems themselves but also of the solar radiation that will drive them. This paper presents the first steps in such an analysis to support the design of solar thermal power systems. A rationale for development of an integrated approach to this analysis is outlined, and elements of the approach are described. A dynamic computer simulation of a conceptual system was employed in an initial sensitivity analysis to explore how performance estimates might be affected by the precision and amount of detail in solar radiation data used as model input. A measurement program, including instrumentation, used to characterize precisely and in detail the solar resource at one location is described as is a probabilistic model derived from it, for predicting insolation as a function of time.

Reid, M. S.

West Valley Demonstration Project (WVDP) Annual Site Environmental Report (ASER) for Calendar Year 2024

The report, prepared for the U.S. Department of Energy West Valley Demonstration Project office (DOE-WVDP), summarizes the environmental protection program at the WVDP for calendar year (CY) 2024. Monitoring and surveillance of the facilities used by the DOE are conducted to verify protection of public health and safety and the environment. The report is a key component of DOE’s effort to keep the public informed of environmental conditions at the WVDP. The quality assurance protocols applied to the environmental monitoring program ensure the validity and accuracy of the monitoring data. In addition to demonstrating compliance with environmental laws, regulations, and directives, evaluation of data collected in 2024 continued to indicate that WVDP activities pose no threat to public health or safety, or to the environment.

54 ENVIRONMENTAL SCIENCES