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At least 811 records · Page 45

Efficient Anomaly Detection Driven By Different Machine Learning Architectures And Models

The rapid growth and ubiquitous adoption of the internet and cyber-physical systems (CPS) have fundamentally transformed modern communication, work, and human-system interactions. While networks now form the backbone of critical digital ecosystems, enabling seamless data transmission across diverse, interconnected systems, this increased connectivity also expands the attack surface, making real-time detection of network intrusions and anomalies a pressing challenge. Detecting unusual activities within network infrastructure requires advanced data traffic analysis to differentiate between legitimate and malicious interactions. Traditional approaches to network anomaly detectionâ??such as rule-based and signature-based systemsâ??often depend on predefined patterns to identify known anomalies, limiting their effectiveness against emerging, stealthy, or previously unseen threats. These conventional methods suffer from high false alarm rates and fail to adapt to the ever-evolving nature of network traffic, particularly in large-scale, decentralized environments where data volume, velocity, and variety are constantly increasing. This dissertation presents artificial intelligence (AI)-driven approaches to anomaly detection that leverage graphics processing unit (GPU)-enabled high-performance computing (HPC) platforms for processing massive network traffic data and monitoring the components of cyber-physical systems (CPS) for potentially hazardous conditions. The research advances several key contributions: (1) Designing efficient machine learning techniques for CPS condition monitoring and anomaly detection; (2) enabling federated learning (FL) frameworks that enable distributed detection while preserving data privacy and system resilience; (3) exploring graph-based methodologies combining graph neural networks (GNN) and graph machine learning (ML) approaches for the Internet of Things (IoT) and automotive network security, and (4) performing distributed edge computing optimizations that integrate FL with scalable technologies for reduced communication overhead. Through extensive experiments, these methodologies demonstrate that complex anomaly detection and condition monitoring tasks can be achieved while balancing computational efficiency and detection accuracy through fine-grained network information processing. The frameworks developed in this research establish a robust foundation for network anomaly detection, providing scalable, adaptive, and privacy-preserving solutions for safeguarding CPS and IoT networks in an increasingly interconnected digital landscape. The practical implications of these research findings are significant, as they can inform the development of next-generation network security systems and contribute to the protection of critical infrastructure against sophisticated cyber attacks.

Marfo, William↗

Molecular property prediction for very large databases with natural language processing: a case study in ionic liquid design

The prospect of using artificial intelligence (AI) to accurately screen very large databases of compounds for multiple properties has yet to be realized. Here, we explore this possibility using ionic liquids (ILs) which offer unique physicochemical properties and excellent tunability, making them highly versatile solvents for various research applications. Screening millions of potential ILs for the best perfomance for use in specific tasks with experimental methods alone however, is impractical. Further, traditional’ physics-based computational chemistry is hindered by high computational cost. To address this challenge, we leverage a natural language processing (NLP)-based molecular embedding technique with advanced machine learning (ML) models to predict seven key IL properties: viscosity, density, ionic conductivity, surface tension, melting temperature, toxicity, and water solubility. Comprehensive datasets for these properties are obtained, then NLP featurization with Mol2vec is compared with other featurization techniques such as 2D Morgan fingerprints, and 3D quantum chemistry-derived sigma profiles. NLP-based featurization exhibited the best predictive performance, achieving the highest R 2 and lowest RMSE values for all the studied IL properties. Further, we present case studies of how ILs might be screened using combined property criteria for practical cases – lignocellulosic biomass processing, CO 2 capture, and optimal electrolytes for batteries – screening a novel database of ∼10.6 million generated feasible ILs. The results introduce NLP as a powerful tool for engineering many designer solvents with desirable properties for task specific applications.

Mohan, Mood [Oak Ridge National Laboratory (ORNL),↗

Transgenic mice expressing mutant Pinin exhibit muscular dystrophy, nebulin deficiency and elevated expression of slow-type muscle fiber genes

Highlights: •Pnn CCD domain functions as a dominant negative mutant regulating Pnn expression and function. •Pnn CCD mutant Tg mice have a muscle wasting phenotype during development and show dystrophic histological features. •Pnn mutant muscles are susceptible to slow fiber type gene transition and NEB reduction. •The Tg mouse generated by overexpression of the Pnn CCD domain displays many characteristics resembling NEB{sup +/−} mice. -- Abstract: Pinin (Pnn) is a nuclear speckle-associated SR-like protein. The N-terminal region of the Pnn protein sequence is highly conserved from mammals to insects, but the C-terminal RS domain-containing region is absent in lower species. The N-terminal coiled-coil domain (CCD) is, therefore, of interest not only from a functional point of view, but also from an evolutionarily standpoint. To explore the biological role of the Pnn CCD in a physiological context, we generated transgenic mice overexpressing Pnn mutant in skeletal muscle. We found that overexpression of the CCD reduces endogenous Pnn expression in cultured cell lines as well as in transgenic skeletal muscle fibers. Pnn mutant mice exhibited reduced body mass and impaired muscle function during development. Mutant skeletal muscles show dystrophic histological features with muscle fibers heavily loaded with centrally located myonuclei. Expression profiling and pathway analysis identified over-representation of genes in gene categories associated with muscle contraction, specifically those related to slow type fiber. In addition nebulin (NEB) expression level is repressed in Pnn mutant skeletal muscle. We conclude that Pnn downregulation in skeletal muscle causes a muscular dystrophic phenotype associated with NEB deficiency and the CCD domain is incapable of replacing full length Pnn in terms of functional capacity.

60 APPLIED LIFE SCIENCES↗

Using neural networks and Dyna algorithm for integrated planning, reacting and learning in systems

The traditional AI answer to the decision making problem for a robot is planning. However, planning is usually CPU-time consuming, depending on the availability and accuracy of a world model. The Dyna system generally described in earlier work, uses trial and error to learn a world model which is simultaneously used to plan reactions resulting in optimal action sequences. It is an attempt to integrate planning, reactive, and learning systems. The architecture of Dyna is presented. The different blocks are described. There are three main components of the system. The first is the world model used by the robot for internal world representation. The input of the world model is the current state and the action taken in the current state. The output is the corresponding reward and resulting state. The second module in the system is the policy. The policy observes the current state and outputs the action to be executed by the robot. At the beginning of program execution, the policy is stochastic and through learning progressively becomes deterministic. The policy decides upon an action according to the output of an evaluation function, which is the third module of the system. The evaluation function takes the following as input: the current state of the system, the action taken in that state, the resulting state, and a reward generated by the world which is proportional to the current distance from the goal state. Originally, the work proposed was as follows: (1) to implement a simple 2-D world where a 'robot' is navigating around obstacles, to learn the path to a goal, by using lookup tables; (2) to substitute the world model and Q estimate function Q by neural networks; and (3) to apply the algorithm to a more complex world where the use of a neural network would be fully justified. In this paper, the system design and achieved results will be described. First we implement the world model with a neural network and leave Q implemented as a look up table. Next, we use a lookup table for the world model and implement the Q function with a neural net. Time limitations prevented the combination of these two approaches. The final section discusses the results and gives clues for future work.

Lima, Pedro↗

NESSUS (Numerical Evaluation of Stochastic Structures Under Stress)/EXPERT: Bridging the gap between artificial intelligence and FORTRAN

The development of a probabilistic structural analysis methodology (PSAM) is described. In the near-term, the methodology will be applied to designing critical components of the next generation space shuttle main engine. In the long-term, PSAM will be applied very broadly, providing designers with a new technology for more effective design of structures whose character and performance are significantly affected by random variables. The software under development to implement the ideas developed in PSAM resembles, in many ways, conventional deterministic structural analysis code. However, several additional capabilities regarding the probabilistic analysis makes the input data requirements and the resulting output even more complex. As a result, an intelligent front- and back-end to the code is being developed to assist the design engineer in providing the input data in a correct and appropriate manner. The type of knowledge that this entails is, in general, heuristically-based, allowing the fairly well-understood technology of production rules to apply with little difficulty. However, the PSAM code, called NESSUS, is written in FORTRAN-77 and runs on a DEC VAX. Thus, the associated expert system, called NESSUS/EXPERT, must run on a DEC VAX as well, and integrate effectively and efficiently with the existing FORTRAN code. This paper discusses the process undergone to select a suitable tool, identify an appropriate division between the functions that should be performed in FORTRAN and those that should be performed by production rules, and how integration of the conventional and AI technologies was achieved.

Fink, Pamela K.↗

Smart Pixels: In-pixel AI for on-sensor data filtering

We present a smart pixel prototype readout integrated circuit (ROIC) designed in CMOS 28 nm bulk process, with in-pixel implementation of an artificial intelligence (AI) / machine learning (ML) based data filtering algorithm designed as proof-of-principle for a Phase III upgrade at the Large Hadron Collider (LHC) pixel detector. The first version of the ROIC consists of two matrices of 256 smart pixels, each 25$\times$25 $\mu$m$^2$ in size. Each pixel consists of a charge-sensitive preamplifier with leakage current compensation and three auto-zero comparators for a 2-bit flash-type ADC. The frontend is capable of synchronously digitizing the sensor charge within 25 ns. Measurement results show an equivalent noise charge (ENC) of $\sim$30e$^-$ and a total dispersion of $\sim$100e$^-$ The second version of the ROIC uses a fully connected two-layer neural network (NN) to process information from a cluster of 256 pixels to determine if the pattern corresponds to highly desirable high-momentum particle tracks for selection and readout. The digital NN is embedded in-between analog signal processing regions of the 256 pixels without increasing the pixel size and is implemented as fully combinatorial digital logic to minimize power consumption and eliminate clock distribution, and is active only in the presence of an input signal. The total power consumption of the neural network is $\sim$ 300 $\mu$W. The NN performs momentum classification based on the generated cluster patterns and even with a modest momentum threshold, it is capable of 54.4% - 75.4% total data rejection, opening the possibility of using the pixel information at 40MHz for the trigger. The total power consumption of analog and digital functions per pixel is $\sim$ 6 $\mu$W per pixel, which corresponds to $\sim$ 1 W/cm$^2$ staying within the experimental constraints.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Kinematic Alignment and Bonding of Silicon Mirrors for High-Resolution Astronomical X-Ray Optics

Optics for the next generation's high-resolution, high throughput x-ray telescope requires fabrication of well-formed lightweight mirror segments and their integration at arc-second precision. Recent advances in the fabrication of silicon mirrors developed at NASA/Goddard prompted us to develop a new method of mirror alignment and integration. In this method, stiff silicon mirrors are aligned quasi-kinematically and are bonded in an interlocking fashion to produce a "meta-shell" with large collective area. We address issues of aligning and bonding mirrors with this method and show a recent result of 4 seconds-of-arc for a single pair of mirrors tested at soft x-rays.

X-ray optics↗

Search for a scalar partner of the top quark in the all-hadronic $t{\bar{t}}$ plus missing transverse momentum final state at $\sqrt{s}=13$ TeV with the ATLAS detector

A search for direct pair production of scalar partners of the top quark (top squarks or scalar third-generation up-type leptoquarks) in the all-hadronic $t{\bar{t}}$ plus missing transverse momentum final state is presented. The analysis of 139 $\hbox {fb}^{-1}$ of ${\sqrt{s}=13}$ TeV proton–proton collision data collected using the ATLAS detector at the LHC yields no significant excess over the Standard Model background expectation. To interpret the results, a supersymmetric model is used where the top squark decays via ${\tilde{t}} \rightarrow t^{(*)} {\tilde{\chi }}^0_1$ t ~ → t ( * ) χ ~ 1 0 , with $t^{(*)}$ t ( * ) denoting an on-shell (off-shell) top quark and ${\tilde{\chi }}^0_1$ χ ~ 1 0 the lightest neutralino. Three specific event selections are optimised for the following scenarios. In the scenario where $m_{{\tilde{t}}}> m_t+m_{{\tilde{\chi }}^0_1}$ m t ~ > m t + m χ ~ 1 0 , top squark masses are excluded in the range 400–1250 GeV for ${\tilde{\chi }}^0_1$ χ ~ 1 0 masses below 200 GeV at 95% confidence level. In the situation where $m_{{\tilde{t}}}\sim m_t+m_{{\tilde{\chi }}^0_1}$ m t ~ ~ m t + m χ ~ 1 0 , top squark masses in the range 300–630 GeV are excluded, while in the case where $m_{{\tilde{t}}}< m_W+m_b+m_{{\tilde{\chi }}^0_1}$ m t ~ < m W + m b + m χ ~ 1 0 (with $m_{{\tilde{t}}}-m_{{\tilde{\chi }}^0_1}\ge 5$ m t ~ - m χ ~ 1 0 ≥ 5 GeV), considered for the first time in an ATLAS all-hadronic search, top squark masses in the range 300–660 GeV are excluded. Limits are also set for scalar third-generation up-type leptoquarks, excluding leptoquarks with masses below 1240 GeV when considering only leptoquark decays into a top quark and a neutrino.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Smart Pixels: In-pixel AI for on-sensor data filtering

We present a smart pixel prototype readout integrated circuit (ROIC) designed in CMOS 28 nm bulk process, with in-pixel implementation of an artificial intelligence (AI) / machine learning (ML) based data filtering algorithm designed as proof-of-principle for a Phase III upgrade at the Large Hadron Collider (LHC) pixel detector. The first version of the ROIC consists of two matrices of 256 smart pixels, each 25$\times$25 µm\textsuperscript{2} in size. Each pixel consists of a charge-sensitive preamplifier with leakage current compensation and three auto-zero comparators for a 2-bit flash-type ADC. The frontend is capable of synchronously digitizing the sensor charge within 25 ns. Measurement results show an equivalent noise charge (ENC) of $\sim$30e\textsuperscript{-} and a total dispersion of $\sim$100e\textsuperscript{-} The second version of the ROIC uses a fully connected two-layer neural network (NN) to process information from a cluster of 256 pixels to determine if the pattern corresponds to highly desirable high-momentum particle tracks for selection and readout. The digital NN is embedded in-between analog signal processing regions of the 256 pixels without increasing the pixel size and is implemented as fully combinatorial digital logic to minimize power consumption and eliminate clock distribution, and is active only in the presence of an input signal. The total power consumption of the neural network is $\sim$ 300 $\mu$W. The NN performs momentum classification based on the generated cluster patterns and even with a modest momentum threshold, it is capable of 54.4\% – 75.4\% total data rejection, opening the possibility of using the pixel information at 40MHz for the trigger. The total power consumption of analog and digital functions per pixel is $\sim$ 6 $\mu$W per pixel, which corresponds to $\sim$ 1 W/cm\textsuperscript{2} staying within the experimental constraints.

Parpillon, Benjamin↗

Data Center High-Temperature Liquid Cooling and Heat Reuse Techno-Economic Study: Preprint

Data centers are energy-intensive facilities with growing demands for efficiency and cost-effective operations. Smaller, more distributed edge inference data centers are expected to proliferate as AI applications require low latency closer to the user of AI tools, which presents a growing opportunity to explore the systems implications of liquid cooling on water and energy use. This study analyzes the implementation of high-temperature liquid cooling systems in a prototypical inference 1-MW data center and explores the potential for heat reuse across varying climates with a goal to optimize energy efficiency, reduce capital and operational costs, and identify opportunities for high-performance cooling and water use reduction infrastructure. This analysis evaluated configurations utilizing a peak day hourly sizing and systems performance spreadsheet to evaluate design and operational conditions from which component sizes, installed cost, operational cost, and performance metrics were determined for the Base case and the Elevated case. The techno-economic analysis included heat reuse applications across a range of heat recovery temperatures and heat rejection options. The analysis shows that high-temperature liquid cooling allows for improved energy efficiency, lower water consumption, and lower capital costs compared to traditional cooling approaches. Transitioning to elevated water inlet/outlet temperatures (50 degrees C/60 degrees C) eliminates the need for chillers, cooling towers, and heat recovery equipment in many scenarios across three distinct climate zones. This results in up to 75% capital cost savings for the cooling and heat recovery equipment, and with significantly reduced water consumption, especially in non-heat reuse applications. Heat generated from data centers can also be repurposed for space heating, domestic hot water, and other applications, and is most cost-effective when data center outlet temperatures exceed 55-60 degrees C.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Neutrons in Structural Biology: Challenges and Opportunities (Workshop Report)

Gaining a thorough understanding of biological systems requires building our knowledge about biological processes from the level of atoms and electrons, and up to whole organisms. Such comprehensive knowledge will allow for a predictive understanding of complex biological systems behavior. It will guide us in the design and development of novel therapeutics and vaccines to tackle existing health threats and to prepare for future pandemics, and it will provide information necessary to create new biomaterials and bio-inspired technologies through manipulation of biological macromolecules, their assemblies, single cells and even microorganisms. Reaching these goals will require a synergistic combination of multiple experimental techniques with molecular calculations and predictive simulations, and the design and development of new techniques and capabilities that bridge current knowledge and technology gaps. Neutron scattering provides unique information about the biomacromolecular structure and function and can play a major role in achieving these goals. A workshop was held to engage the scientific community in identifying pressing challenges in biochemistry, structural biology, enzymology and structure-guided drug design not solved with the current neutron scattering technologies or utilizing other structural biology techniques such as X-ray crystallography, NMR, and cryo-EM. The workshop brought together structural biology, biochemistry and computational experts, as well as early career researchers and students, creating a forum for discussing scientific advancement and collaboration. The workshop included a one-day satellite training workshop where graduate students and postdoctoral researchers were educated in the application of neutron crystallography and small-angle scattering in structural biology. Furthermore, the Instrument Scientific Advisory Board (ISAB) for the development of a macromolecular neutron diffractometer at ORNL’s Second Target Station was introduced at the workshop. The major outcome was that neutrons can provide atomic-level understanding of biomacromolecular structure, function and dynamics which is of paramount importance for addressing the identified challenges. Neutron crystallography, in particular, can resolve long-standing biochemical issues regarding enzyme function by delineating the underlying chemistry and can have a major impact on the design of small-molecule therapeutics, especially in combination with molecular computation (quantum chemistry and molecular dynamics simulations) and the emerging artificial intelligence (AI)-assisted drug design technologies. The unique properties of neutrons, including their high sensitivity to hydrogen and their non-destructive nature, make them ideal probes of biological matter. There is a palpable need in the scientific community to expand and enhance the impact of neutron sciences on biology. Neutron crystallography is the only structural biology method capable of determining positions of all hydrogen atoms in proteins, nucleic acids and their complexes at near-physiological temperatures and of unstable species at cryogenic temperatures. Moreover, neutron analysis is non-ionizing, non-destructive and does not perturb the structure or redox chemistry of active site metal centers and clusters in proteins, which can be invaluable for studying radiation-sensitive metalloprotein complexes. Further, neutron energies used in scattering applications are similar to atomic motions, permitting neutron spectroscopies to characterize the dynamics of biomacromolecules on the picosecond to microsecond timescales. The different sensitivities of neutrons to protium (H) and deuterium (D) isotopes of hydrogen allow enhanced visibility of specific parts of biological complexes through isotopic labeling. The impact of neutrons will be most powerful when neutron scattering is combined with complementary experimental techniques that use photons and electrons, and with high-performance computing. The interconnection and mutuality of the experimental and theoretical capabilities will drive discoveries in biological and health sciences to generate more complete picture of complex biological systems. The major limitation in the field of biological neutron crystallography has been signal-to-noise, demanding large samples that are difficult to produce for the majority of biomacromolecules and limiting the applicability of this technique in biological sciences. A neutron crystallography instrument at the Second Target Station will revolutionize biological science with neutrons by engaging a large scientific community of structural biologists, enabling successful neutron diffraction experiments from radically smaller biomacromolecular crystals, resolving unanswered biochemical questions, and meaningfully contributing to rational drug design. The meeting highlighted 10 grand challenges that will be addressed with this advanced capability over the next decade and beyond, and the recommendations required to help address them are given below.

59 BASIC BIOLOGICAL SCIENCES↗

iRhom2 promotes atherosclerosis through macrophage inflammation and induction of oxidative stress

Highlights: • Increase of iRhom2 contributes to ox-LDL-incubated macrophages activation. • Down-regulation of iRhom2 expression attenuates inflammation in ox-LDL-incubated macrophages inflammatory infiltration. • iRhom2-knockdown alleviates oxidative stress in ox-LDL-incubated macrophages activation. • iRhom2 is expressed highly in HFD-fed ApoE{sup −/-} mouse artery. Atherosclerosis is a complex chronic inflammatory disease that is characterized by the formation of lipid-rich plaques on the inner walls of the arteries. Inactive rhomboid protein 2 (iRhom2) was recently determined as a necessary regulator for the shedding of tumor necrosis factor-alpha (TNF-α) in immune cells. In the present study, we aimed to explore the effects of iRhom2 on the inflammatory response and oxidative stress induced by low-density lipoprotein (ox-LDL) in RAW264.7 and THP-1-derived macrophages. The expression levels of iRhom2 were also investigated in apolipoprotein E knockout (ApoE{sup −/-}) mice fed a high-fat diet (HFD). iRhom2 was significantly induced by ox-LDL in macrophages, as confirmed by Western blotting and RT-qPCR analysis. Furthermore, iRhom2 knockdown showed significant suppressive effects on the activation of ox-LDL-induced RAW264.7 and THP-1-derived macrophages through reducing TACE and TNFR2 expressions, and the inactivation of the IκBα/NF-κB signaling pathway. A reduction in reactive oxygen species (ROS) generation, malondialdehyde (MDA) levels, and nitric oxide (NOX) activity and an increase in glutathione peroxidase (GSH-Px) activity were determined in the absence of iRhom2 expression. In addition, the NF-E2 related factor-2 (Nrf-2)/heme oxygenase-1 (HO-1) pathway was also upregulated in ox-LDL-treated macrophages subjected to iRhom2 inhibition. Moreover, suppression of iRhom2 expression inactivated PI3K/AKT pathway activation, contributing to ROS reduction in ox-LDL-stimulated macrophages. iRhom2 was also significantly expressed in ApoE{sup −/-} mice fed HFD. Finally, we observed increased serum levels of TNF-α, TNFR1, and TNFR2 in patients with coronary artery atherosclerosis as compared to healthy volunteers. In conclusion, our findings suggested that iRhom2 played a key role in the pathogenesis of atherosclerosis, and that iRhom2 might be a potential therapeutic target against atherosclerosis.

60 APPLIED LIFE SCIENCES↗

ESAC (EQ-SANS Assisting Chatbot): Application of large language models and retrieval-augmented generation for enhanced user experience at EQ-SANS

Neutron scattering experiments have played vital roles in exploring materials properties in the past decades. While user interfaces have been improved over time, neutron scattering experiments still require specific knowledge or training by an expert due to the complexity of such advanced instrumentation and the limited number of experiments each person may perform each year. This paper introduces an innovative chatbot application that leverages Large Language Models(LLM) and Retrieval-Augmented Generation (RAG) technologies to significantly enhance the user experience at the EQ-SANS, a small-angle neutron scattering instrument at the Spallation Neutron Source of Oak Ridge National Laboratory. Through a user-centric design approach, the EQ-SANS Assisting Chatbot (ESAC) serves as an interactive reference for users, thereby facilitating the use of the instrument by visiting scientists. By bridging the gap between the users of EQ-SANS and the control systems required to perform their experiments, the ESAC sets a new standard for interactive learning and support for the scientific community using large-scale scientific facilities.

97 MATHEMATICS AND COMPUTING↗

Methylation enables the use of fluorine-free ether electrolytes in high-voltage lithium metal batteries

Lithium metal batteries represent a promising technology for next-generation energy storage, but they still suffer from poor cycle life due to lithium dendrite formation and cathode cracking. Fluorinated solvents can improve battery longevity by improving LiF content in the solid-electrolyte interphase; however, the high cost and environmental concerns of fluorinated solvents limit battery viability. Here, for this work, we designed a series of fluorine-free solvents through the methylation of 1,2-dimethoxyethane, which promotes inorganic LiF-rich interphase formation through anion reduction and achieves high oxidation stability. The anion-derived LiF interphases suppress lithium dendrite growth on the lithium anode and minimize cathode cracking under high-voltage operation. The Li + -solvent structure is investigated through in situ techniques and simulations to draw correlations between the interphase compositions and electrochemical performances. The methylation strategy provides an alternative pathway for electrolyte engineering towards high-voltage electrolytes while reducing dependence on expensive fluorinated solvents.

25 ENERGY STORAGE↗

Fabrication of monocrystalline silicon x-ray mirrors

Progress within the fi eld of x-ray astronomy depends on astronomical x-ray observations of ever-increasing quality and speed. Fast and high-resolution x-ray observations over a broad spectral range promise amazing new discoveries. These observations, however, require a spaceborne x-ray telescope of unprecedented imaging power. Of the numerous technological concerns associated with the design and construction of such a telescope, the x-ray focusing optics present a particularly complex and arduous set of challenges. An x-ray optical assembly comprises many thousands of x-ray mirrors, a most critical element. Our group at NASA Goddard Space Flight Center (GSFC) pursues the development of an x-ray mirror manufacturing process capable of meeting the stringent quality, production time, and cost requirements of the next-generation of x-ray telescopes. The manufacturing process employs monocrystalline silicon: a lightweight, stiff, thermally conductive, and readily available material which is free of internal stress; it is a nearly ideal material for a thin mirror substrate. The process involves various traditional optical fabrication techniques adapted to x-ray mirror geometry. Presently, our process is capable of fabricating sub-arcsecond half-power diameter (HPD) resolution mirror pairs (primary and secondary) at a mirror thickness of 0.5 mm and of virtually any x-ray optical design (e.g. Wolter-I, Wolter-Schwarzschild, etc.). The mirror substrate surface quality is comparable to, and sometimes exceeding, that of the mirrors on the Chandra X-ray Observatory. This paper describes the various manufacturing steps involved in the production of x-ray mirror substrates and a present status report.

Raul E. Riveros↗

Measurements of the production cross-section for a Z boson in association with b -jets in proton-proton collisions at √s = 13 TeV with the ATLAS detector

This paper presents a measurement of the production cross-section of a Z boson in association with b-jets, in proton-proton collisions at √s = 13 TeV with the ATLAS experiment at the Large Hadron Collider using data corresponding to an integrated luminosity of 35.6 fb -1 . Inclusive and differential cross-sections are measured for events containing a Z boson decaying into electrons or muons and produced in association with at least one or at least two b-jets with transverse momentum p T > 20 GeV and rapidity |y| < 2.5. Predictions from several Monte Carlo generators based on leading-order (LO) or next-to-leading-order (NLO) matrix elements interfaced with a parton-shower simulation and testing different flavour schemes for the choice of initial-state partons are compared with measured cross-sections. We find that the 5-flavour number scheme predictions at NLO accuracy agree better with data than 4-flavour number scheme ones. This is because the 4-flavour number scheme predictions underestimate data in events with at least one b-jet.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Surrogates for Valve-Controlled Pipe Flow: Accelerating Nuclear Reactor Design

Neural surrogate models are developed to replace expensive steady-state RANS CFD simulations for valve-controlled pipe flow in nuclear reactor design. Using parametric CFD data generated with MOOSE Pronghorn across a range of valve geometry and flow conditions, three approaches are compared: a POD-based reduced-order model, a structured UNet on a cylindrical grid, and unstructured models (DeepONet and BiStride MeshGraphNet) on nondimensionalized point clouds. POD achieves the highest accuracy (99%) with fast inference but requires storing all solution snapshots, while the DeepONet and BSMS-GNN both achieve ~89% accuracy at sub-second inference, with the BSMS-GNN offering superior geometric generalizability. These surrogates enable rapid ranking of candidate valve designs and can warm-start CFD solvers to accelerate convergence, supporting agentic design iteration on the Prometheus platform.

42 - ENGINEERING↗

Multi-Source Machine Learning and Thermoplastics Enhanced Aerostructure Manufacturing (mTEAM)

RTX Technology Research Center (RTRC), together with Collins Aerospace (Collins) and Oak Ridge National Laboratory (ORNL) has developed an Artificial Intelligence (AI) / Machine Learning (ML) guided solution to advance the manufacturing and assembly of high performance and lightweight thermoplastic composite (TPC) aerospace products. The solution aims to lower risk, cost and lead time for induction heating based welding and consolidation processes for TPC structure. The cost and lead time of part and material specific process development for induction welding (IW) and induction consolidation will be reduced by replacing traditional empirical methods with optimization methods that merge AI/ML and physics-based process simulations and process experiments with sensing and controls. TPC-IW process development is empirical in nature, and uncertainties in material & process behavior exist near & far from the induction coil. Physics-based simulations can be leveraged directly for process optimization but can be too computationally expensive to run in high fidelity and real time to do robust process optimization. The key impact of successful TPC induction consolidation and welding is cost & lead time reduction for part & material specific consolidation and welding recipes. This is an enabler for more rapid deployment of TPC structures via joining assembly, which can reduce energy & cost intensive usage of autoclaves & ovens. The solution aimed to advance the U.S. Department of Energy’s interests in using thermoplastics and automation in composite manufacturing for improvement of products for existing markets via increased production speeds, reduced costs, and lowered use of energy. Welded TPC structures can offer significant weight & energy savings for high-value commercial aerospace & industrial applications compared to metal & thermoset composite structures assembled by mechanical fastening and/or adhesive bonding. The project was organized into two Budget Periods. Budget Period 1 (BP1) was 15 months and its goal was to perform ML process optimization framework development & deployment on lab-coupon aerostructure components. A Go/No-Go Review was performed at the end of BP1 to verify fulfilment of key tasks & milestones to justify a Go Decision to move into the next Budget Period. Budget Period 2 (BP2) was 12 months and its goal was the deployment of the ML framework for ML process optimization of pilot industrial scale aerostructure components. The overall project aim was to develop & demonstrate ML-enhanced modeling framework that learns process-property mapping from multiple data sources at different fidelities. During BP1, the team accomplished key tasks & milestones to demonstrate the concept of multi-source ML for TPC aerostructure consolidation and assembly. First, the team completed documentation of induction based TPC heating requirements including baseline metrics to compare measured results against. Next the team completed demonstration of data generation from physics-based simulations for ML surrogate model generation and demonstrated the integration of physics-based simulation data into multi-source AI/ML algorithms. In parallel, the team established the lab-coupon scale induction welding system and completed a process to label and reduce generated data from physics-based simulation and experiments for ML surrogate models to enable multi-source ML model training & testing. To complete BP1, the team integrated physics-based simulation data and experimental data into multi-source ML algorithms. This was based on the team completing ML deployment of the induction welding on a lab system at RTRC and AI/ML deployment on existing induction welding line at Collins. ORNL visited both Collins and RTRC sites to witness the TPC induction welding process. Then, ORNL designed and constructed a new version of their vision-based sensing system better adapted to acquire process signals of the TPC induction welding process for process anomaly and defect detection. In BP2, the team accomplished key tasks & milestones to scale up multi-source ML for TPC aerostructure consolidation and assembly from the lab-coupon scale to the pilot-industrial scale. In BP2, the team demonstrated real time anomaly & defect detection via experiments performed by ORNL & RTRC. The team completed ML-optimization heating trials for TPC induction consolidation at Collins, and the team confirmed pilot industrial scale experimental data from Collins was compatible with the developed ML pipeline from RTRC. The team completed sub-element scale ML process optimization demonstration at RTRC, where the team leveraged RTRC’s robotic TPC welding setup to de-risk the ML process optimization by performing ML analysis of recorded temperatures to account for complex part features. Then, the team applied its ML-derived control strategies and ML process optimization framework at Collins to the pilot-industrial scale on a demo skin-stiffener part representative of a nacelle aerostructure fan cowl section. The key innovation is the AI/ML framework enabling effective process development of high performance, lightweight, energy efficient TPCs for composite aircraft structures.

36 MATERIALS SCIENCE↗