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At least 19 records

Achieving Runtime State Verification Assurance in Critical Cyber-Physical Infrastructures

Industrial Cyber-Physical Systems (ICPS) are an essential backbone of national critical infrastructures. They help monitor and control crucial cyber-enabled services such as energy generation. Commonly ICPS monitors the physical process through Supervisory Control and Data Acquisition (SCADA) systems. The SCADA ecosystem takes critical real-time and future system operational decisions based on the runtime state behavior of field sensors. Traditional SCADA systems use legacy and insecure communication protocols such as the Modbus protocol that lack adequate security mechanisms to provide robust runtime state behavior assurance of constrained field sensors. Therefore, constrained field sensors are commonly vulnerable to standard semantic attacks that gradually change the behavior state of infected devices. This paper discusses process integrity assurance techniques necessary to enhance the security of behavior-based protocols such as the Modbus protocol. The Runtime State Verification (RSV) protocol proposed in this paper aims to address semantic attacks in the SCADA ecosystem by integrating behavior-based Mandatory Results Automata (MRA) and a Hyperledger Fabric (HLF) network. The RSV protocol provides high process integrity assurance through enhanced behavior-based MRA suitable for the constrained field devices. A proof of concept of the RSV protocol has been evaluated in an emulated water-tube boiler. Preliminary evaluations of the RSV protocol aimed to measure the efficiency of the proposed protocol by monitoring an Combustion Efficiency (CE) process necessary to preserve optimal combustion, thus minimizing costs and future maintenance of water-tube boilers. We analyze the overall network overhead and latency of the proposed RSV protocol by evaluating the HLF network performance and comparing the proposed RSV protocol with the state-ofart BloSPAI protocol. Through the preliminary evaluations of the proposed RSV protocol, this paper demonstrates that the proposed RSV protocol overcomes the shortcomings and network overhead of the BloSPAI protocol by integrating behavior-based authentication through novel MRAs and HLF networks.

Rivera, Abel Gomez↗

PolyCheck: Dynamic Verification of Iteration Space Transformations on Affine Programs

High-level compiler transformations, especially loop transformations, are widely recognized as critical optimizations to restructure programs to improve data locality and expose parallelism. Guaranteeing the correctness of program transformations is essential, and to date three main approaches have been developed: proof of equivalence of affine programs, matching the execution traces of programs, and checking bit-by-bit equivalence of the outputs of the programs. Each technique suffers from limitations in either the kind of transformations supported, space complexity, or the sensitivity to the testing dataset. In this paper, we take a novel approach addressing all three limitations to provide an automatic bug checker to verify any iteration reordering transformations on affine programs, including non-affine transformations, with space consumption proportional to the original program data, and robust to arbitrary datasets of a given size. We achieve this by exploiting the structure of affine program control- and data-flow to generate at compile-time lightweight checker code to be executed within the transformed program. Experimental results assess the correctness and effectiveness of our method, and its increased coverage over previous approaches.

affine programs↗

Simulation Planning Using Component Based Cost Model

Successful simulations for scientific discovery on high-performance computing platforms require careful planning, including verification of specific application configuration and runtime parameters, estimation of resource requirements, and steering and monitoring of the simulation. However, simulation planning is an aspect of scientific computing that is extremely sparse in available literature or training. In this paper we focus on the resource management aspect of such planning through formulation of a component-based cost model. We illustrate the methodology and formulation through FLASH, a highly configurable simulation code used in multiple scientific domains.

Dubey, Anshu↗

DARMA-MPI Interoperability WBS 2.3.1.04 Milestone 15 (ECP Milestone Report)

DARMA (Distributed Asynchronous Resilient Models for Applications) is a runtime library developed as part of the the Sandia ATDM (Advanced Technology Development and Mitigation) program. DARMA supports applications within 2.2.5.03 ADNN03-ASC ATDM SNL Application, which includes a number of applications featuring dynamic physics which requires load balancing and asynchronous communication for high performance. We have implemented a modern C++ programming model that can enable dynamic, asynchronous communication on top of existing data structures from a serial or MPI code. DARMA development has occurred in parallel with a verification milestone for ATDM in FY18. For FY19, DARMA will impact ATDM by enabling the performance benefits of a dynamic runtime through only incremental changes to existing verified MPI codes. The results presented here demonstrate the DARMA development process for an MPI mini-app, showing a 3-4x improvement in performance for a challenging problem relative to the parent MPI code and coming within 25 percent of the theoretically optimal performance achievable from a perfect, fine-grained load balancer for most cases.

97 MATHEMATICS AND COMPUTING↗

SU-C-BRC-07: Parametrized GPU Accelerated Electron Monte Carlo Second Check

Purpose: I am presenting a parameterized 3D GPU accelerated electron Monte Carlo second check program. Method: I wrote the 3D grid dose calculation algorithm in CUDA and utilized an NVIDIA GeForce GTX 780 Ti to run all of the calculations. The electron path beyond the distal end of the cone is governed by four parameters: the amplitude of scattering (AMP), the mean and width of a Gaussian energy distribution (E and α), and the percentage of photons. In my code, I adjusted all parameters until the calculated PDD and profile fit the measured 10×10 open beam data within 1%/1mm. I then wrote a user interface for reading the DICOM treatment plan and images in Python. In order to verify the algorithm, I calculated 3D dose distributions on a variety of phantoms and geometries, and compared them with the Eclipse eMC calculations. I also calculated several patient specific dose distributions, including a nose and an ear. Finally, I compared my algorithm’s computation times to Eclipse’s. Results: The calculated MU for all of the investigated geometries agree with the TPS within the TG-114 action level of 5%. The MU for the nose was < 0.5 % different while the MU for the ear at 105 SSD was ∼2 %. Calculation times for a 12MeV 10×10 open beam ranged from 1 second for a 2.5 mm grid resolution with ∼15 million particles to 33 seconds on a 1 mm grid with ∼460 million particles. Eclipse calculation runtimes distributed over 10 FAS workers were 9 seconds to 15 minutes respectively. Conclusion: The GPU accelerated second check allows quick MU verification while accounting for patient specific geometry and heterogeneity.

60 APPLIED LIFE SCIENCES↗

Simultaneous sub-picogram speciation of methylmercury and ethylmercury in caustic nuclear tank waste using direct aqueous propylation

Organomercury species are present at regulatory levels in the tanks at the Savannah River Site. Calibration of methylmercury and ethylmercury ranged three orders of magnitude, generating detection limits of 0.033 pg and 7.50 pg, respectively. Calibration verifications maintained 101 and 103% accuracy, respectively, with mean recovery from waste samples of 104%. Here, dilution volume was optimized to eliminate sample distillation, decreasing method runtime by 337% and reducing total instrumentation footprint by 60.4% compared with current standard methods. Finally, compared with standard methods, this work represents a significant improvement in safety, efficiency, and reproducibility of organomercury speciation, particularly for industrial and nuclear analysis.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

Exploratory Visual Analysis of Anomalous Runtime Behavior in Streaming High Performance Computing Applications

Online analysis of runtime behavior is essential for performance tuning in streaming scientific workflows. Integration of anomaly detection and visualization is necessary to support human-centered analysis, such as verification of candidate anomalies utilizing domain knowledge. In this work, we propose an efficient and scalable visual analytics system for online performance analysis of scientific workflows toward the exascale scenario. Here, our approach uses a call stack tree representation to encode the structural and temporal information of the function executions. Based on the call stack tree features (e.g., execution time of the root function or vector representation of the tree structure), we employ online anomaly detection approaches to identify candidate anomalous function executions. We also present a set of visualization tools for verification and exploration in a level-of-detailed manner. General information, such as distribution of execution times, are provided in an overview visualization. The detailed structure (e.g., function invocation relations) and the temporal information (e.g., message communication) of the execution call stack of interest are also visualized. The usability and efficiency of our methods are verified in a real-world HPC application.

97 MATHEMATICS AND COMPUTING↗

DARMA-Kokkos Data and Execution Interoperability WBS 2.3.1.04 Milestone 16 (ECP Milestone Report)

DARMA (Distributed Asynchronous Resilient Models for Applications) is a runtime library supporting the Sandia ATDM (Advanced Technology Development and Mitigation) program. The main application drivers fall within the ECP milestone 2.2.5.03 ADNN03-ASC ATDM SNL Application, which includes applications that require load balancing and asynchronous communication for high performance. The DARMA runtime infrastructure has been modified to be compatible with Kokkos/OpenMP parallelization within tasks, which is a critical requirement for high performance for the Sandia ATDM apps. DARMA development has occurred in parallel with a verification milestone for ATDM in FY18. For FY19, DARMA should impact ATDM by enabling dynamic load balancing and communication through only incremental changes to the existing verified MPI codes. DARMA can now support the intra-kernel thread parallelization in the parent MPI apps, allowing DARMA to be easily added without rewriting individual math kernels. The results presented here demonstrate the DARMA results for an MPI mini-app.

97 MATHEMATICS AND COMPUTING↗

Even Higher-Level Synthesis: An Exploration of AI Hardware Accelerators using HLS4ML

With the rise of artificial intelligence, the popularization of deep learning, and a constantly evolving industry, the demand for flexible and efficient tools has never been greater. As algorithms grow more complex, their runtime and energy consumption increase exponentially. Customized hardware accelerators, long used for specific mathematical operations, remain essential for managing modern applications' computational and power demands. Hardware accelerators can speed up complex computations by orders of magnitude, but their manual design and verification processes are often challenging and time-consuming. High-Level Synthesis (HLS) provides a solution by transforming high-level algorithm descriptions, typically written in C++ or SystemC, into synthesizable RTL suitable for hardware implementation. This approach reduces development time for RTL engineers while offering flexibility beyond what traditional handwritten RTL can provide. We extended this capability to the machine-learning domain with the open-source framework hls4ml, which allows neural networks trained in Python frameworks like Tensorflow or PyTorch to be synthesized into efficient hardware representations for the traditional FPGA and ASIC flows. This breakthrough addresses the growing need for reduced design turnaround and easy verification of ML hardware accelerators with low latency and power efficiency constraints. During this tutorial, we will demonstrate how Python complements HLS by simplifying the ML design process, bridging the gap between software and hardware development. Attendees will explore how we translate neural networks modeled in Python into fixed-point C++ models suitable for HLS workflows. We will dive into strategies like Value-Range Analysis and Quantization-Aware Training, which optimize these designs for deployment and evaluate their accuracy, power consumption, and energy efficiency. To exemplify these concepts, experts from Fermilab will share their experiences applying this technology to high-energy physics experiments, where real-time, low-latency processing is critical. Over the years, Fermilab engineers have demonstrated how deep neural networks, optimized for hardware using hls4ml, can meet the stringent requirements of trigger systems at the CERN Large Hadron Collider. These systems rely on rapid decision-making to process immense data volumes while retaining only the most relevant events for further analysis. The application of hls4ml has also been extended to innovative technologies like smart pixel arrays. These smart pixels integrate ML inference capabilities directly into sensor devices, enabling localized data processing at the pixel level. This approach drastically reduces the need to transmit raw data to external processing units, significantly decreasing power consumption and latency. By embedding neural networks within the pixel architecture, the smart pixels can identify and prioritize relevant data in real time, providing a highly efficient solution for edge computing in scenarios such as particle detectors and imaging systems. Fermilab's work highlights the potential of hardware-accelerated ML in scenarios where both speed and power efficiency are mission-critical. Through this tutorial, attendees will gain valuable insights into the challenges and solutions of deploying ML in hardware. Understanding how HLS and hls4ml streamline the development of neural network-based hardware accelerators is fundamental for the industry's future. Participants will learn how these technologies are shaping the future of AI and scientific computing.

Di Guglielmo, Giuseppe [Fermilab]↗

Developing and Implementing the Data Mining Algorithms in RAVEN

The RAVEN code is becoming a comprehensive tool to perform probabilistic risk assessment, uncertainty quantification, and verification and validation. The RAVEN code is being developed to support many programs and to provide a set of methodologies and algorithms for advanced analysis. Scientific computer codes can generate enormous amounts of data. To post-process and analyze such data might, in some cases, take longer than the initial software runtime. Data mining algorithms/methods help in recognizing and understanding patterns in the data, and thus discover knowledge in databases. The methodologies used in the dynamic probabilistic risk assessment or in uncertainty and error quantification analysis couple system/physics codes with simulation controller codes, such as RAVEN. RAVEN introduces both deterministic and stochastic elements into the simulation while the system/physics code model the dynamics deterministically. A typical analysis is performed by sampling values of a set of parameter values. A major challenge in using dynamic probabilistic risk assessment or uncertainty and error quantification analysis for a complex system is to analyze the large number of scenarios generated. Data mining techniques are typically used to better organize and understand data, i.e. recognizing patterns in the data. This report focuses on development and implementation of Application Programming Interfaces (APIs) for different data mining algorithms, and the application of these algorithms to different databases.

97 MATHEMATICS AND COMPUTING↗

SV-Sim: Scalable PGAS-based State Vector Simulation of Quantum Circuits

High-performance quantum circuit simulation in a classic HPC is still imperative in the NISQ era. Observing that the major obstacle of scalable state-vector quantum simulation arises from the massively fine-grained irregular data-exchange with remote nodes, in this paper we present SV-Sim to apply the emerging PGAS-based communication models (i.e., direct peer access for intra-node CPUs/GPUs and SHMEM for inter-node CPU/GPU clusters) for efficient scalable quantum circuit simulation. Through an orchestrated device functional pointer design, SV-Sim is able to abstract the quantum gate sets across various heterogeneous backends, including IBM/Intel/AMD CPUs, NVIDIA /AMD GPUs, and Intel MIC, in a unified framework, but still asserting outstanding performance and tractable interface to higher-level quantum programming environments, such as IBM Qiskit, Microsoft Q\# and Google Cirq. Circumventing the disability of polymorphism in GPUs and leveraging the device-initiated one-sided communication, SV-Sim can process dynamically synthesized quantum circuit in a single GPU/CPU kernel without the need of expensive JIT or runtime branching, significantly improving the performance and simplifying the programming complexity for the emerging variational quantum algorithms. Evaluations on NVIDIA A100-DGX-1, V100-DGX-2, AMD MI100, ALCF Theta, and OLCF Summit HPCs show that SV-Sim can delivery scalable performance on various state-of-the-art HPC platforms, offering a useful tool for quantum algorithm validation and verification.

Li, Ang↗

HARD: A performance portable radiation hydrodynamics code based on FleCSI framework

Hydrodynamics And Radiation Diffusion (HARD) is an open-source application for high-performance simulations of compressible hydrodynamics with radiation-diffusion coupling. Built on the FleCSI (Bergen et al., 2021 [1]) (Flexible Computational Science Infrastructure) framework, HARD expresses its computational units as tasks whose execution can be orchestrated by multiple back-end runtimes, including Legion (Bauer et al., 2012 [2]), MPI (Forum, 1994 [3]), and HPX (Kaiser et al., 2020 [4]). Node-level parallelism is handled through Kokkos (Edwards et al., 2014 [5]), providing a single-source, portable code base that runs efficiently on laptops, small homogeneous clusters, and the largest heterogeneous supercomputers currently available. To ensure scientific reliability, HARD includes a regression test suite that automatically reproduces canonical verification problems such as the Sod and LeBlanc shock tubes, and the Sedov blast wave, comparing numerical solutions against known analytical results. The project is distributed under an OSI-approved license, hosted on GitHub, and accompanied by reproducible build scripts and continuous integration workflows. This combination of performance portability, verification infrastructure, and community-focused development makes HARD a sustainable platform for advancing radiation hydrodynamics research across multiple domains.

97 MATHEMATICS AND COMPUTING↗

Status of the NEAMS and ARC neutronic fast reactor tools integration to the NEAMS Workbench

The Workbench initiative was launched in FY-2017 within the Nuclear Energy Advanced Modeling and Simulation (NEAMS) Integration Product Line to facilitate the transition from conventional tools to high-fidelity tools. The Workbench provides a common user interface for model creation, real-time validation, execution, output processing, and visualization for integrated codes. The integration of the Argonne Reactor Computation (ARC) suite of codes into the NEAMS Workbench was initiated in FY-2017. The ARC codes contain both legacy codes like DIF3D and REBUS-3 that were developed with over 30 years of experience, and newer NEAMS additions like MC2-3, PERSENT and PROTEUS. The ARC integration into the NEAMS Workbench interface relies on the PyARC module which handles the pre- and post-processing of the native ARC codes input, and the runtime environment. The PyARC module together with the NEAMS Workbench interface are both released under Open Source Software licenses. In FY-2019, the effort focused on integrating the explicit assembly management logic of REBUS, the GAMSOR code for gamma heating transport, and of the NODAL solver of PROTEUS. Additional capabilities were also integrated in response to user requests, such as the assembly power peaking calculation and a 2D result plotting capability. For verification and demonstration purposes, the ARC codes were used through the Workbench for solving the Sodium-cooled Fast Reactor Uncertainty Analysis in Modelling (SFR-UAM) benchmark problems, including the newly proposed unit cells and ASTRID problem. Significant effort in FY-2019 focused on training new users from ANL, INL, NCSU, and Westinghouse. In particular, extensive training material was developed in the form of tutorials, including documentation, sample inputs, and associated presentations. The ARC codes are now actively used through the NEAMS Workbench by nuclear engineers at ANL, INL, NCSU, and Westinghouse, for LFR, MSR, micro-reactor, and SFR core design analyses. Future efforts will focus on adding new and existing modeling capabilities available with the ARC and NEAMS codes, training new users and supporting them to continue building user experience.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Verification and Performance Impact of the New Parallel MCNP6.3 Particle Track Output Capability for Subcritical Multiplication Simulations [Slides]

A separate MCNP6.3 V&V document reports on all the default calculations for all test suites. This report does not include the subcritical multiplication benchmark suite. After some additional clean-up and finalizing the post-processing and documentation steps, the subcritical multiplication benchmark suite will be released in the next version of our vnvstats repository. We tested the new HDF5 PTRAC feature in MCNP6.3 and found encouraging outcomes. Identical results coming out of the simulation with respect to the legacy PTRAC results. The overall runtime for all simulations is reduced by ~20% with the new HDF5 PTRAC capability. We consider giving the new HDF5 PTRAC features a try and using it for all subcritical multiplication and any other relevant (PTRAC) calculations.

97 MATHEMATICS AND COMPUTING↗

Benchmark for two-dimensional large scale coherent structures in partially magnetized E × B plasmas—community collaboration & lessons learned

Low-temperature plasmas (LTPs) are essential to both fundamental scientific research and critical industrial applications. As in many areas of science, numerical simulations have become a vital tool for uncovering new physical phenomena and guiding technological development. Code benchmarking remains crucial for verifying implementations and evaluating performance. This work continues the Landmark benchmark initiative, a series specifically designed to support the verification of LTP codes. In this study, seventeen simulation codes from a collaborative community of nineteen international institutions modeled a partially magnetized E × B Penning discharge. The emergence of large scale coherent structures, or rotating plasma spokes, endows this configuration with an enormous range of time scales, making it particularly challenging to simulate. The codes showed excellent agreement on the rotation frequency of the spoke as well as key plasma properties, including time-averaged ion density, plasma potential, and electron temperature profiles. Achieving this level of agreement came with challenges, and we share lessons learned on how to conduct future benchmarking campaigns. Comparing code implementations, computational hardware, and simulation runtimes also revealed interesting trends, which are summarized with the aim of guiding future plasma simulation software development.

benchmarking↗

STARTR: An Open-Source MARVEL model for the NRIC Virtual Test Bed [Poster]

The National Reactor Innovation Center (NRIC) seeks to improve the understanding of microreactor physics in industry and academia through the development of a Microreactor Applications Research Validation and Evaluation (MARVEL) reactor-based model, published on the Virtual Test Bed (VTB). To achieve this goal, the Sodium-cooled Thermal-spectrum Advanced Research Test Reactor (STARTR) model was built using publicly available MARVEL specifications where possible and approximations where applicable, and was optimized for fast runtimes for researchers to receive rapid simulation feedback. STARTR will fill a gap between stakeholder interest and available models, as the first Sodium-cooled Thermal Reactor (STR) hosted on the VTB with baseline performance sanctioned by INL. This project involved the definition of all materials used in the reactor, geometry and all reactor subcomponents, and assertion of tallies and simulation settings within OpenMC 0.13.3. This poster details a small subset of the overall reactor physics testing: the two-dimensional power peaking factors and the flux energy spectrum, as well as plots of the created geometry. Future work includes code-to-code verification between the OpenMC-based model and a separately designed MCNP 6.2-based model.

21 - SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLAN↗

ASC CSSE Level 2 Milestone #6362: Resilient Asynchronous Many Task Programming Model

This report is an outcome of the ASC CSSE Level 2 Milestone 6362: Analysis of Re- silient Asynchronous Many-Task (AMT) Programming Model. It comprises a summary and in-depth analysis of resilience schemes adapted to the AMT programming model. Herein, performance trade-offs of a resilient-AMT prograrnming model are assessed through two ap- proaches: (1) an analytical model realized by discrete event simulations and (2) empirical evaluation of benchmark programs representing regular and irregular workloads of explicit partial differential equation solvers. As part of this effort, an AMT execution simulator and a prototype resilient-AMT programming framework have been developed. The former permits us to hypothesize the performance behavior of a resilient-AMT model, and has undergone a verification and validation (V&V) process. The latter allows empirical evaluation of the perfor- mance of resilience schemes under emulated program failures and enabled the aforementioned V&V process. The outcome indicates that (1) resilience techniques implemented within an AMT framework allow efficient and scalable recovery under frequent failures, that (2) the abstraction of task and data instances in the AMT programming model enables readily us- able Application Program Interfaces (APIs) for resilience, and that (3) this abstraction enables predicting the performance of resilient-AMT applications with a simple simulation infrastruc- ture. This outcome will provide guidance for the design of the AMT programming model and runtime systems, user-level resilience support, and application development for ASC's next generation platforms (NGPs).

97 MATHEMATICS AND COMPUTING↗