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DOE OSTI2025

High-redshift millennium and astrid galaxies in effective field theory at the field level

Effective field theory (EFT) modeling is expected to be a useful tool in the era of future higher-redshift galaxy surveys such as DESI-II and Spec-S5 due to its robust description of various large-scale structure tracers. However, large values of EFT bias parameters of higher-redshift galaxies could jeopardize the convergence of the perturbative expansion. Here, in this paper we measure the bias parameters and other EFT coefficients from samples of two types of star-forming galaxies in the state-of-the-art MilleniumTNG and astrid hydrodynamical simulations. Our measurements are based on the field-level EFT forward model that allows for precision EFT parameter measurements by virtue of cosmic variance cancellation. Specifically, we consider approximately representative samples of Lyman-break galaxies (LBGs) and Lyman-𝛼 emitters (LAEs) that are consistent with the observed (angular) clustering and number density of these galaxies at 𝑧 = 3. Reproducing the linear biases and number densities observed from existing LAE and LBG data, we find quadratic bias parameters that are roughly consistent with those predicted from the halo model coupled with a simple halo occupation distribution model. We also find nonperturbative velocity contributions (fingers of God) of a similar size for LBGs to the familiar case of luminous red galaxies. However, these contributions are quite small for LAEs despite their large satellite fraction values of up to ∼ 30%. Our results indicate that the effective momentum reach 𝑘 max at 𝑧 = 3 for LAEs (LBGs) will be in the range 0.3−0.6⁢ℎ Mpc −1 (0.2−0.8⁢ℎ Mpc −1 ), suggesting that EFT will perform well for high-redshift galaxy clustering. This work provides the first step toward obtaining realistic simulation-based priors on EFT parameters for LAEs and LBGs.

Sullivan, James M. [Massachusetts Inst. of Technol↗

DOE OSTI2022

Hvac: Removing I/O Bottleneck for Large-Scale Deep Learning Applications

Scientific communities are increasingly adopting deep learning (DL) models in their applications to accelerate scientific discovery processes. However, with rapid growth in the computing capabilities of HPC supercomputers, large-scale DL applications have to spend a significant portion of training time performing I/O to a parallel storage system. Previous research works have investigated optimization techniques such as prefetching and caching. Unfortunately, there exist non-trivial challenges to adopting the existing solutions on HPC supercomputers for large-scale DL training applications, which include non-performance and/or failures at extreme scale, lack of portability and generality in design, complex deployment methodology, and being limited to a specific application or dataset. To address these challenges, we propose High-Velocity AI Cache (HVAC), a distributed read-cache layer that targets and fully exploits the node-local storage or near node-local storage technology. HVAC seamlessly accelerates read I/O by aggregating node-local or near node-local storage, avoiding metadata lookups and file locking while preserving portability in the application code. We deploy and evaluate HVAC on 1,024 nodes (with over 6000 NVIDIA V100 GPUS) of the Summit supercomputer. In particular, we evaluate the scalability, efficiency, accuracy, and load distribution of HVAC compared to GPFS and XFS-on-NVMe. With four different DL applications, we observe an average 25 % performance improvement atop GPFS and 9% drop against XFS-on-NVMe, which scale linearly and are considered the performance upper bound. We envision HVAC as an important caching library for upcoming HPC supercomputers such as Frontier.

Khan, Awais↗

DOE OSTI2023

Towards Geospatial Knowledge Graph Infused Neuro-Symbolic AI for Remote Sensing Scene Understanding

Deep learning has proven its effectiveness in numerous tasks for remote sensing scene understanding. However there is an increasing interest to explore fusion of domain-specific background information to the deep neural network to further improve its performance. Remote sensing researchers are also working towards developing models that generalize and adapt to multiple applications. Generalization challenges coupled with the scarcity of large corpora of high-quality noise-free labelled data, have together fueled an interest for leveraging background information. Knowledge graphs serve as excellent choice to represent domain-specific information in a structured, standardized and extensible manner. Integrating symbolic knowledge representations in the form of Knowledge Graph Embedding (KGE) to perform neuro-symbolic reasoning is an emerging research direction promising significant impacts. This vision paper seeks to position ideas and provoke early thoughts toward advancing neuro-symbolic artificial intelligence in the context of geospatial challenges. Specifically, it conceptualizes and elaborates on an architecture for infusing geospatial knowledge from knowledge graph in a deep neural network pipeline. As guiding case studies - land-use land-cover classification, object detection and instance segmentation can benefit from infusing spatio-contextual information with remote sensing imagery. The discussion further reflects on and articulates the challenges and explainable AI opportunities anticipated when scaling and maintaining large-scale geospatial knowledge graphs.

Potnis, Abhishek↗

DOE OSTI2020

Profiles of upcoming HPC Applications and their Impact on Reservation Strategies

With the expected convergence between HPC, BigData and AI, new applications with different profiles are coming to HPC infrastructures. Here, we aim at better understanding the features and needs of these applications in order to be able to run them efficiently on HPC platforms. The approach followed is bottom-up: we study thoroughly an emerging application from the neuroscience community (SLANT) to understand its behavior. Based on these observations, we derive a generic, yet simple, application model (namely, a linear sequence of stochastic jobs). We expect this model to be representative for a large set of upcoming applications that require the computational power of HPC clusters without fitting the typical behavior of large-scale traditional applications. In a second step, we show how one can manipulate this generic model in a scheduling framework. Specifically we consider the problem of making reservations (both time and memory) for an execution on an HPC platform. We derive solutions using the model of the first step of this work. We experimentally show the robustness of the model, even with very few data or with another application, to generate the model, and provide performance gains with regards to standard and more recent approaches used in the neuroscience community.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2026

iDDS: intelligent distributed dispatch and scheduling for workflow orchestration

The intelligent distributed dispatch and scheduling (iDDS) service is a versatile workflow orchestration system designed for large-scale, distributed scientific computing. iDDS extends traditional workload and data management by integrating data-aware execution, conditional logic, and programmable workflows, enabling automation of complex and dynamic processing pipelines. Originally developed for the ATLAS experiment at the large hadron collider, iDDS has evolved into an experiment-agnostic platform that supports both template-driven workflows and a Function-as-a-Task model for Python-based orchestration. This paper presents the architecture and core components of iDDS, highlighting its scalability, modular message-driven design, and integration with systems such as PanDA and Rucio. We demonstrate its versatility through real-world use cases: fine-grained tape resource optimization for ATLAS, orchestration of large Directed Acyclic Graph (DAG) workflows for the Rubin Observatory, distributed hyperparameter optimization for machine learning applications, active learning for physics analyses, and AI-assisted detector design at the electron–ion collider. By unifying workload scheduling, data movement, and adaptive decision-making, iDDS reduces operational overhead and enables reproducible, high-throughput workflows across heterogeneous infrastructures. We conclude with current challenges and future directions, including interactive, cloud-native, and serverless workflow support.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2022

Foundation Models of Scientific Knowledge for Chemistry: Opportunities, Challenges and Lessons Learned

Foundation models pre-trained on large corpora demonstrate significant gains across many natural language processing tasks and domains e.g., law, healthcare, education, etc. However, only limited efforts have investigated the opportunities and limitations of applying these powerful models to science and security applications. In this work we develop foundation models of scientific knowledge for chemistry to augment scientists with the advanced ability to perceive and reason at scale previously unimagined. Specifically, we build large-scale (1.47B parameter) general-purpose models for chemistry that can be effectively used to perform a wide range of in-domain and out-of-domain tasks. Evaluating these models in a zero-shot setting, we analyze the effect of model and data scaling, knowledge depth, and temporality on model performance in context of model training efficiency. Our novel findings demonstrate that (1) model size significantly contributes to the task performance when evaluated in a zero-shot setting; (2) data quality (aka diversity) affects model performance more than data quantity; (3) similarly, unlike previous work (Luu et al., 2021) temporal order of the documents in the corpus boosts model performance only for specific tasks, e.g., SciQ; and (4) models pre-trained from scratch perform better on in-domain tasks than those tuned from general-purpose models like Open AI’s GPT-2.

Foundation Models, Chemistry↗

DOE OSTI2021

Facilitating better and faster simulations of aerosol-cloud interactions in Earth system models

Focal Area(s): 1. Predictive modeling through the use of AI techniques and AI-derived model components; the use of AI and other tools to design a prediction system comprising a hierarchy of models. 2. Insight gleaned from complex data (both observed and simulated) using AI, big data analytics, and other advanced methods, including explainable AI and physics- or knowledge-guided AI. Science Challenge: One major challenge that Earth system models (ESMs) face in providing credible prediction of the Earth system and its water cycle characteristics (e.g., mean state, variability, and extreme events) is to accurately simulate aerosol-cloud interactions (ACI). The physical, chemical, and dynamical processes affecting ACI are extremely complex and they range from nanoscale to planetary scale. In each model development cycle, scientists spend significant efforts investigating model deficiencies and uncertainties associated with aerosols (e.g., emissions, chemical processes, aerosol microphysics, and transport) and clouds (e.g., macrophysics, microphysics, turbulence, and large-scale circulation) in order to develop improved treatments. However, despite decades of active research, ACI is still a major source of uncertainty in climate projections, even though great progress has been made. Specific scientific challenges include: (i) Parameterizations are developed based on limited data; (ii) The complexity of a parameterization required for accurate predictions is not understood; (iii) Incomplete and unknown physics leads to errors in the fully coupled Earth system; and (iv) Complex physics is computationally too expensive to employ in ESMs.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2023

Scalable, Dual-Mode Occupancy Sensing for Commercial Venues

The ability to establish accurate occupancy is a key enabler for improved energy efficiency in human-occupied indoor spaces. The accurate counts can be used to adjust, in real-time, air exchange, heating, and cooling, to closely match the environmental needs of the occupants rather than to use a single setting based on maximum room occupancy. This project focuses on the use of overhead fisheye cameras and artificial intelligence (AI) algorithms as the technology to realize accurate people counting in large commercial spaces. We developed Computational Occupancy Sensing SYstem ("COSSY''), which supports large-scale deployment (thousands of square feet) and straightforward installation (using conventional power over ethernet), while providing high accuracy and low cost. COSSY has been validated at Boston University and by a third party, demonstrating people-counting accuracy of at least 89.5% in large spaces (2,000 sqft). A cost/benefit analysis performed for Boston commercial market indicates that a full payback of COSSY deployment costs due to energy savings would occur within 3-6 months from installation. Applications of COSSY reach far beyond saving energy. The precise people counting in real time could also be useful for emergency response (e.g., fire), in spatial analytics (e.g., office space management) and in some health applications (e.g., social distance assessment during pandemics).

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2023

Can the United States Maintain Its Leadership in High-Performance Computing? - A report from the ASCAC Subcommittee on American Competitiveness and Innovation to the ASCR Office

The United States (U.S.) is no longer the unambiguous leader in the vitally important field of high performance computing (HPC). Japan, the European Union (EU), and China have fielded systems that are on par with our fastest supercomputers. The supply chain for everything from semiconductors to scientific software is globally distributed. Yet our economic future and security depend critically on our ability to innovate faster than our competitors, and the speed of innovation depends increasingly on large-scale computational science and engineering and thus HPC. How should the United States respond to this challenge? This report seeks to initiate a new and potentially transformative national discussion on this vital question. The Department of Energy’s (DOE) Advanced Scientific Computing Research (ASCR) program is well-positioned to make informed, targeted decisions about where the United States should cooperate and where it should compete in the global market for scientific exploration and discovery. By setting its sights on problems critical to our nation and the world, by establishing productive new collaborations, and by making strategic investments, ASCR can restore and maintain U.S. scientific leadership in the critical areas described in this report while strengthening our research infrastructure and training a large, diverse cohort of scientists. In doing so, ASCR and its scientists will pave the way for a secure and prosperous future for America. For more than 30 years, the ASCR program has provided the HPC and networking capabilities and expertise needed to support DOE’s mission to advance the national, economic, and energy security of the United States. The program now faces the challenge of developing and deploying the next generation of HPC systems and technologies, as well as supporting the application of HPC and artificial intelligence (AI) technologies to a wide range of scientific and engineering research problems. Through its research and development efforts, the ASCR program must also advance the state of the art in HPC and accelerate the pace of scientific discovery and technological innovation. Fulfilling this promise will require significantly increased investments, as well as innovative policies and programs. This subcommittee is aware that we are making recommendations and calls for action at a time when federal resources are limited. We understand that a wide range of competing priorities must be balanced by the nation’s leaders and that there is a need to leverage resources in new ways and seek efficiencies in facilities and operations. However, we must not let these realities limit our imagination or silence our advocacy. The ASCR program is a key part of the U.S. research infrastructure and an important component of economic growth and U.S. competitiveness. ASCR has a responsibility to pursue its mission, including advanced scientific computing, applications of AI technologies, and the required advanced research facilities, with determination and enthusiasm. To fulfill the scientific enterprise’s responsibility to the nation, the ASCR program must not only develop and publish a clear vision with an associated list of goals, priorities, and recommendations but also demonstrate scientific leadership by consistently securing long-term funding. This will allow the program to build on its achievements to date, to realize its ambitious vision, and to make lasting contributions to the field.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2024

Integrating HPC, AI, and Workflows for Scientific Data Analysis: Report from Dagstuhl Seminar 23352

The Dagstuhl Seminar 23352, titled “Integrating HPC, AI, and Workflows for Scientific Data Analysis,” held from August 27 to September 1, 2023, was a significant event focusing on the synergy between High-Performance Computing (HPC), Artificial Intelligence (AI), and scientific workflow technologies. The seminar recognized that modern Big Data analysis in science rests on three pillars: workflow technologies for reproducibility and steering, AI and Machine Learning (ML) for versatile analysis, and HPC for handling large data sets. These elements, while crucial, have traditionally been researched separately, leading to gaps in their integration. The seminar aimed to bridge these gaps, acknowledging the challenges and opportunities at the intersection of these technologies. The event highlighted the complex interplay between HPC, workflows, and ML, noting how ML has increasingly been integrated into scientific workflows, thereby enhancing resource demands and bringing new requirements to HPC architectures, like support for GPUs and iterative computations. The seminar also addressed the challenges in adapting HPC for large-scale ML tasks, including in areas like deep learning, and the need for workflow systems to evolve to leverage ML in data analysis fully. Moreover, the seminar explored how ML could optimize scientific workflow systems and HPC operations, such as through improved scheduling and fault tolerance. A key focus was on identifying prestigious use cases of ML in HPC and understanding their unique, unmet requirements. The stochastic nature of ML and its impact on the reproducibility of data analysis on HPC systems was also a topic of discussion.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2023

Airfoil Computational Fluid Dynamics - 2k shapes, 25 AoA's, 3 Re numbers

This dataset contains aerodynamic quantities - including flow field values (momentum, energy, and vorticity) and summary values (coefficients of lift, drag, and momentum) - for 1,830 airfoil shapes computed using the HAM2D CFD (computational fluid dynamics) model. The airfoil shapes were designed using the separable shape tensor parameterization that encodes two-dimensional shapes as elements of the Grassmann manifold. This data-driven approach learns two independent spaces of parameter from a collection of sample airfoils. The first captures large-scale, linear perturbations, and the second defines small-scale, higher-order perturbations. For this dataset, we used the G2Aero database of over 19,000 airfoil shapes to learn a parameter space that captured a wide array of shape characteristics. We sampled airfoil designs over both parameter spaces to explore the full range of possible shape variations. The aerodynamic quantities for the generated airfoil were obtained using the HAM2D code, which is a finite-volume Reynolds-averaged Navier-Stokes (RANS) flow solver. We employ a fifth-order WENO scheme for spatial reconstruction with Roe's flux difference scheme for inviscid flux and second-order central differencing for viscous flux. A preconditioned GMRES method is applied for implicit integration. The Spalart-Allmaras 1-eq turbulence model is used for the turbulence closure, and the Medida-Baeder 2-eq transition model is applied to account for the effects of laminar turbulent transition. The airfoil grid is generated with a total of 400 points on the airfoil surface, the initial wall-normal spacing of y+ = 1, and an outer boundary located at 300 chord lengths away from the wall. The CFD simulations are performed at a freestream Mach number of 0.1, for or three different Reynolds' numbers (3M, 6M, and 9M), and for 25 angles of attack from -4 deg. to 20 deg. with 1 degree increments. Across all these various parameters, this dataset includes the results from over 250,000 CFD simulations. The simulations were performed using the Bridges-2 system at the Pittsburgh Supercomputing Center in February 2023 as part of the INTEGRATE project funded by the Advanced Research Projects Agency - Energy, in the U.S. Department of Energy. The data was collected, reformatted, and preprocessed for this OEDI submission in July 2023 under the Foundational AI for Wind Energy project funded by the U.S. Department of Energy Wind Energy Technologies Office. This dataset is intended to serve as a benchmark against which new artificial intelligence (AI) or machine learning (ML) tools may be tested. Baseline AI/ML methods for analyzing this dataset have been implemented, and a link to their repository containing those models has been provided. The .h5 data file structure can be found in the GitHub Repository resource under explore_airfoil_2k_data.ipynb.

2k↗

DOE OSTI2023

Airfoil Computational Fluid Dynamics - 9k shapes, 2 AoA's

This dataset contains aerodynamic quantities - including flow field values (momentum, energy, and vorticity) and summary values (coefficients of lift, drag, and momentum) - for 8,996 airfoil shapes, computed using the HAM2D CFD (computational fluid dynamics) model. The airfoil shapes were designed using the separable shape tensor parameterization that encodes two-dimensional shapes as elements of the Grassmann manifold. This data-driven approach learns two independent spaces of parameter from a collection of sample airfoils. The first captures large-scale, linear perturbations, and the second defines small-scale, higher-order perturbations. For this data, we used the G2Aero database of over 19,000 airfoil shapes to learn a parameter space that captured a wide array of shape characteristics. We fixed the linear deformations to be the mean over the database and sampled new shapes over a four-dimensional parameter space of higher-order perturbation. This sampling approaches allows for isolated analysis of non-linear airfoil shape deformations while holding other aspects (e.g., airfoil thickness) approximately constant. The aerodynamic quantities for the generated airfoil were obtained using the HAM2D code, which is a finite-volume Reynolds-averaged Navier-Stokes (RANS) flow solver. We employ a fifth-order WENO scheme for spatial reconstruction with Roe's flux difference scheme for inviscid flux and second-order central differencing for viscous flux. A preconditioned GMRES method is applied for implicit integration. The Spalart-Allmaras 1-eq turbulence model is used for the turbulence closure, and the Medida-Baeder 2-eq transition model is applied to account for the effects of laminar turbulent transition. The airfoil grid is generated with a total of 400 points on the airfoil surface, the initial wall-normal spacing of y+ = 1, and an outer boundary located at 300 chord lengths away from the wall. The CFD simulations are performed at a freestream Mach number of 0.1, Reynolds number of 9M, and at two angles of attack, 4 deg. and 12 deg. The simulations were performed using the Bridges-2 system at the Pittsburgh Supercomputing Center in February 2023 as part of the INTEGRATE project funded by the Advanced Research Projects Agency - Energy in the U.S. Department of Energy. The data was collected, reformatted, and preprocessed for this OEDI submission in July 2023 under the Foundational AI for Wind Energy project funded by the U.S. Department of Energy Wind Energy Technologies Office. This dataset is intended to serve as a benchmark against which new artificial intelligence (AI) or machine learning (ML) tools may be tested. Baseline AI/ML methods for analyzing this dataset have been implemented, and a link to their repository containing those models has been provided. The .h5 data file structure can be found in the GitHub Repository resource under explore_airfoil_9k_data.ipynb.

9k↗

NASA NTRSDate not supplied

From 3D Printing Lunar and Mars Habitats to Affordable Sustainable Housing on Earth

In 2015, the NASA Centennial Challenges program launched the 3D-Printed Habitat (3DPH) competition to develop housing solutions for extended-duration missions on planetary surfaces using advanced additive construction technology. The challenge was executed in three phases with increasing complexities and requirements. The main goal of the competition was to use of planetary indigenous materials and mission recyclables as feedstock for large-scale, autonomous 3D printers to construct a habitat on the Moon or Mars. Phase 1 challenged teams to develop state-of-the-art architecture concepts that took advantage of unique capabilities offered by 3D-printing. In Phase 2, teams autonomously 3D-printed structural components using terrestrial/space-based materials and recyclables. Phase 3 tasked competitors to fabricate sub-scale habitats using indigenous materials with or without mission-generated recyclables and ended in a head-to-head competition. The developments from this challenge are applicable both to the fulfillment of NASA’s Moon to Mars mission and to the creation of affordable and sustainable housing solutions on Earth. This paper will summarize the results of the four-year challenge and provide an overview of team achievements as a result of the competition. Results from the competition include humanitarian and business opportunities created/negotiated and the development of 3D-printed housing solutions for people such those in need of shelter in Austin, Texas and 3D-printing houses at the United Nations habitat headquarters in Nairobi, Keyna. The Phase 3: Level 5 winner, AI. SpaceFactory, is currently 3D-printing an ecofriendly house in New York called Terra, a full-size habitat design for Mars and available on Earth.

M C Roman↗

NASA NTRSDate not supplied

Evaluating Machine Learning Approaches to Plume Tracking

On July 15, 2022, the Hunga Tonga-Hunga Ha’apai (HTHH) submarine volcano erupted, propelling trace gasses and ash through the troposphere and up into the stratosphere. Previous studies manually tracked the aerosol and trace gas plumes over time across different positions in the southern hemisphere. Using imagery from NASA’s Earth Observing System, including MODIS aerosol products and OMI sulfur dioxide products, this research demonstrates how open-source machine learning (ML) models, like Meta’s Segment Anything Model (SAM), can perform automatic plume tracking following the Hunga Tonga eruption. This extensible methodology, and modular data processing and modeling pipeline, establishes a framework for systematically and rapidly studying natural disasters, including additional volcanic eruptions and large-scale wildfires. By combining advanced machine learning techniques, such as SAM’s zero-shot learning, with large volumes of NASA’s Earth Observation and remote sensing data, this work shows how AI and open science can accelerate research and generate actionable results, even for unprecedented events. The tools and technologies presented here can help translate earth science to action from NASA’s current and future Earth observing satellite missions, and assist researchers and stakeholders in understanding, mapping, and responding to natural disasters in a changing world.

machine learning↗

NASA NTRSDate not supplied

Tracking the Hunga Tonga-Hunga Ha’apai Eruption Stratospheric Aerosol and Trace Gas Plumes Using Machine Learning

On January 15, 2022, the Hunga Tonga-Hunga Ha’apai (hereafter, Hunga Tonga) submarine volcano had an explosive eruption that thrusted ash, gases, and water vapor through the troposphere into the stratosphere and mesosphere. Previous studies manually tracked the aerosol and trace gas plumes over time across different positions in the southern hemisphere. Using data retrieved from low earth orbiting satellite instruments (e.g., OMPS, OMI, and CALIPSO), this research demonstrates how open-source machine learning (ML) models, like Meta’s Segment Anything Model (SAM), with prompt engineering can perform automatic plume tracking following the Hunga Tonga eruption. This extensible methodology, and modular data processing and modeling pipeline using NASA Earthdata and Openscapes, establishes a framework for systematically and rapidly studying extreme events, including volcanic eruptions and large-scale wildfires. By combining advanced machine learning techniques, such as SAM’s zero-shot learning, with large volumes of remote sensing data, this work demonstrates how AI and open science can accelerate research and generate actionable results. The tools and technologies presented here can help translate earth science to action from NASA’s current and future Earth observing satellite missions (e.g., the Atmosphere Observing System (AOS)), and assist researchers and stakeholders in understanding, mapping, and responding to natural disasters and extreme events in a changing world.

David M. Giles↗

DOE OSTI2020

Real-time Intrusion Detection for High-bandwidth Research Networks using Unsupervised Deep Learning

Nowadays, data generated by large-scale scientific experiments are on the scale of petabytes per month. These data are transferred through dedicated high-bandwidth networks across distributed collaboration sites for processing, storage, and analysis. Like general purpose networks, research networks experience attacks. However, monitoring traffic in such high-bandwidth network environments is challenging with conventional deep packet inspection (DPI)- based network intrusion detection systems (NIDS). Recently, machine learning (ML) algorithms have shown potential in detecting anomalous patterns with better generalizability and faster speed. Compared to the general purpose networks, traffic movement in research network is less volatile and more likely to benefit from the ML-based anomaly analysis. We present ThunderSecure, an efficient AI-powered system for detecting anomalies in 100G research networks. ThunderSecure implements a high-throughput packet processing infrastructure using multi-cores and GPUs. It takes time-series statistics from a variety of network measurements and uses 2D Convolutional Neural Network (CNN) to explore both spatial and temporal dependencies in network data stream. Patterns of science data traffic are learned with a one-class neural network, which blends an Adversarial Autoencoder (AAE) with Gaussian mixture density estimation. Testing traffic flows exhibiting significant deviations from the learned baseline of normality are marked as anomalies. We trained ThunderSecure on hundreds of billions of science data packets recorded from a 100G research network at Fermi National Accelerator Laboratory. The detection performance was evaluated on traffic captured from the same research network days and weeks after the training with different types of attack flows injected. To the best of our knowledge, this is the first ML work in the area of network anomaly detection that has been validated on such extreme scale datasets. Results show that ThunderSecure can recognize science data traffic that are captured long after the training and make nearly certain detection on those with anomalous flows injected, even in the case when the anomaly-to-normal mixing ratio is 0.1%.

Gong, Qian↗

DOE OSTI2024

Powering Data Centers with Clean Energy: A Techno-Economic Case Study of Nuclear and Renewable Energy Dependability

Rising data demands from artificial intelligence (AI) and large language models (LLMs) generating images, videos, and text have prompted increased need for larger and more robust data centers in the United States. Major companies interested in these larger data centers face the choice of linking them to existing regional grids, building stand-alone power supplies onsite, or a combination of both. The request, review, and approval process for new transmission lines to grids in the United States, however, has grown in recent years to times spans rivaling those of new construction for nuclear power plants. Building an islanded power supply for each data center is therefore becoming a prominent option. In this case study, several technologies are modeled in techno-economic simulations for long-term system costs subject to fixed electricity demand from a singular data center. A 250 MWe data center is assumed with additional 50 MWe for resiliency. Techno-economic simulations are conducted using the Holistic Energy Resource Optimization Network (HERON) software, which is a part of the Framework for Optimization of Resources and Economics (FORCE) tool suite. Technologies considered include solar, wind, lithium-ion batteries, and several types of nuclear reactors: large-scale reactors, small modular reactors, and microreactors. A low- and high-cost estimate for each technology is assumed to develop a range of expected economic performance. Low-cost estimates included several clean energy production tax credits. Different combinations of renewable energy generators with nuclear reactors are considered, ranging from a fully renewable-powered data center to a fully nuclear-powered data center. Historic time series of wind and solar availability from the Texas grid are used to train a reduced order model; this model then generates unique time series with similar characteristics of the training dataset. Multiple scenarios of weather and subsequent operations are simulated for each renewable-nuclear combination to determine total costs throughout the project lifetime. Fully renewable-powered configurations required large amounts of installed capacity (GW scale) in the simulations to meet the fixed demand of the data center. This is due to some scenarios in the historical dataset which captured low-wind and low-solar days, requiring over-building of these technologies as well as batteries to compensate for the low amounts of electricity generation. Fully nuclear-powered configurations outperformed the fully renewable and mixed renewable-nuclear configurations in terms of cost, with ranges between $1B and $10B in 2023 USDs compared to $40B+ for fully renewable configurations. Of the nuclear technologies, small modular reactors performed better economically than large-scale nuclear models due to lower projected capital costs, and both performed better than the microreactor models. These results demonstrate the applicability of firm, dispatchable electricity resources from baseload generators like nuclear power plants for operating facilities that run at constant power without daily variability.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗