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At least 703 records · Page 39

Interpreting and Stabilizing Machine-Learning Parametrizations of Convection

Neural networks are a promising technique for parameterizing subgrid-scale physics (e.g., moist atmospheric convection) in coarse-resolution climate models, but their lack of interpretability and reliability prevents widespread adoption. For instance, it is not fully understood why neural network parameterizations often cause dramatic instability when coupled to atmospheric fluid dynamics. This paper introduces tools for interpreting their behavior that are customized to the parameterization task. First, we assess the nonlinear sensitivity of a neural network to lower-tropospheric stability and the midtropospheric moisture, two widely studied controls of moist convection. Second, we couple the linearized response functions of these neural networks to simplified gravity wave dynamics, and analytically diagnose the corresponding phase speeds, growth rates, wavelengths, and spatial structures. To demonstrate their versatility, these techniques are tested on two sets of neural networks, one trained with a super-parameterized version of the Community Atmosphere Model (SPCAM) and the second with a near-global cloud-resolving model (GCRM). Additionally, even though the SPCAM simulation has a warmer climate than the cloud-resolving model, both neural networks predict stronger heating/drying in moist and unstable environments, which is consistent with observations. Moreover, the spectral analysis can predict that instability occurs when GCMs are coupled to networks that support gravity waves that are unstable and have phase speeds larger than 5 m s -1 . In contrast, standing unstable modes do not cause catastrophic instability. Using these tools, differences between the SPCAM-trained versus GCRM-trained neural networks are analyzed, and strategies to incrementally improve both of their coupled online performance unveiled.

54 ENVIRONMENTAL SCIENCES↗

MSU Disentanglement Analysis Software

This software is used to disentangle the forced-versus-unforced components of tropospheric temperature change over the satellite era (after 1979) using maps of surface temperature change as a predictor. In general, the software assembles training datasets (from pre-computed surface temperature trend maps and domain averaged tropospheric warming rates), trains statistical/machine learning (ML) algorithms, applies the trained statistical/ML model to climate model data and observations, and then saves the results. A leave-one-out approach is used in which the statistical/ML models are iteratively trained on (N- 1) climate model and then applied to the remaining climate model (and observations). Each model includes a large ensemble (i.e., >10) of model simulations. The software relies on scikit-learn ridge regression, PLS regression, and neural network algorithms.

Po-Chedley, StephenD↗

The information content of jet quenching and machine learning assisted observable design

Jets produced in high-energy heavy-ion collisions are modified compared to those in proton-proton collisions due to their interaction with the deconfined, strongly-coupled quark-gluon plasma (QGP). In this work, we employ machine learning techniques to identify important features that distinguish jets produced in heavy-ion collisions from jets produced in proton-proton collisions. We formulate the problem using binary classification and focus on leveraging machine learning in ways that inform theoretical calculations of jet modification: (i) we quantify the information content in terms of Infrared Collinear (IRC)-safety and in terms of hard vs. soft emissions, (ii) we identify optimally discriminating observables that are in principle calculable in perturbative QCD, and (iii) we assess the information loss due to the heavy-ion underlying event and background subtraction algorithms. We illustrate our methodology using Monte Carlo event generators, where we find that important information about jet quenching is contained not only in hard splittings but also in soft emissions and IRC-unsafe physics inside the jet. This information appears to be significantly reduced by the presence of the underlying event. We discuss the implications of this for the prospect of using jet quenching to extract properties of the QGP. Since the training labels are exactly known, this methodology can be used directly on experimental data without reliance on modeling. We outline a proposal for how such an experimental analysis can be carried out, and how it can guide future measurements.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Physics-coupled data-driven design of high-temperature alloys

We present a materials design loop, which streamlines physics-coupled machine learning (ML) surrogate models to discover new alloy chemistries with improved properties. The efficacy is demonstrated by discovering a high-temperature alumina-forming austenitic (AFA) stainless steel with enhanced creep, followed by experimental validation. The ML models have been trained using a well-curated, highly consistent experimental dataset augmented with synthetic microstructural features from a computational thermodynamic approach. We have populated a large number of hypothetical AFA alloys to explore the high-dimensional composition space and have predicted their creep properties by providing the same synthetic input features obtained from the trained ML models. Uncertainties from the ML training were taken as thresholds for truncating predicted results to identify alloys with improved or deteriorated creep. Individual elemental compositions have been determined via probability density distribution analysis from the group of alloys at the top and bottom of the predicted creep values for further virtual and experimental validations. In conclusion, we anticipate that this workflow can be applied to screen desired conditions, such as chemistry and processing parameters, in high-dimensional space through physics-guided data analytics.

Alloy design↗

Data-driven modeling of coarse mesh turbulence for reactor transient analysis using convolutional recurrent neural networks

Advanced nuclear reactors often exhibit complex thermal-fluid phenomena during transients. To accurately capture such phenomena, a coarse-mesh three-dimensional (3-D) modeling capability is desired for modern nuclear-system code. In the coarse-mesh 3-D modeling of advanced-reactor transients that involve flow and heat transfer, accurately predicting the turbulent viscosity is a challenging task that requires an accurate and computationally efficient model to capture the unresolved fine-scale turbulence. In this work, we propose a data-driven coarse-mesh turbulence model based on local flow features for the transient analysis of thermal mixing and stratification in a sodium-cooled fast reactor. The model has a coarse mesh setup to ensure computational efficiency, while it is trained by fine-mesh computational fluid dynamics (CFD) data to ensure accuracy. A novel neural network architecture, combining a densely connected convolutional network and a long-short-term-memory network, is developed that can efficiently learn from the spatial temporal CFD transient simulation results. The neural network model was trained and optimized on a loss-of flow transient and demonstrated high accuracy in predicting the turbulent viscosity field during the whole transient. The trained model's generalization capability was also investigated on two other transients with different inlet conditions. The study demonstrates the potential of applying the proposed data-driven approach to support the coarse-mesh multi-dimensional modeling of advanced reactors.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Trajectory prediction dimensionality reduction for low-cost connected automated vehicle systems

Here, to facilitate low-cost connected automated vehicle (CAV) system development, this study proposes two interpretable dimensionality reduction techniques in vehicle trajectory prediction, i.e., the piecewise Taylor series approximation (PTA) and the piecewise Fourier series approximation (PFA), to lower computation complexity, reduce device investment, and decrease computation energy consumption. Two benchmarks are developed, the long short-term memory (LSTM)-based model without dimensionality reduction and the LSTM-based model with encoder-decoder (a widely used dimensionality reduction technique). Results show that the four predictions have similar accuracy, and the training time (proportional to computation energy consumption) of models with dimensionality reduction techniques is greatly reduced. The reduction is even more significant when PTA/PFA is used. Sensitivity analysis advises PFA/PTA parameter selections to reduce computation complexity without significant loss of prediction accuracy. Further, the robustness of the LSTM PTA/PFA is proven by the investigation of data noises.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Global and regional perspectives on optimizing thermo-responsive dynamic windows for energy-efficient buildings

Architectural thermo-responsive dynamic windows offer an autonomous solution for solar heat regulation, thereby reducing building energy consumption. Previous work has emphasized the significance of thermo-responsive windows in hot climates due to their role in solar heat control and subsequent energy conservation; conversely, our study provides a different perspective. Through a global-scale analysis, we explore over 100 material samples and execute more than 2.8 million simulations across over two thousand global locations. World heatmap results, derived from well-trained artificial neural network models, reveal that thermo-responsive windows are especially useful in climates where buildings demand both heating and cooling energy, whereas thermo-responsive windows with optimal transition temperatures show no dynamic features in most of low-latitude tropical regions. Additionally, this study provides a practical guideline and an open-source mapping tool to optimize the intrinsic properties of thermo-responsive materials and evaluate their energy performance for sustainable buildings at various geographical scales.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Identification of high-dielectric constant compounds from statistical design

Abstract The discovery of high-dielectric materials is crucial to increasing the efficiency of electronic devices and batteries. Here, we report three previously unexplored materials with very high dielectric constants (69 < ϵ < 101) and large band gaps (2.9 < E g (eV) < 5.5) obtained by screening materials databases using statistical optimization algorithms aided by artificial neural networks (ANN). Two of these new dielectrics are mixed-anion compounds (Eu 5 SiCl 6 O 4 and HoClO) and are shown to be thermodynamically stable against common semiconductors via phase diagram analysis. We also uncovered four other materials with relatively large dielectric constants (20 < ϵ < 40) and band gaps (2.3 < E g (eV) < 2.7). While the ANN training-data are obtained from the Materials Project, the search-space consists of materials from the Open Quantum Materials Database (OQMD)—demonstrating a successful implementation of cross-database materials design. Overall, we report the dielectric properties of 17 materials calculated using ab initio calculations, that were selected in our design workflow. The dielectric materials with high-dielectric properties predicted in this work open up further experimental research opportunities.

36 MATERIALS SCIENCE↗

Topological structure of complex predictions

Abstract Current complex prediction models are the result of fitting deep neural networks, graph convolutional networks or transducers to a set of training data. A key challenge with these models is that they are highly parameterized, which makes describing and interpreting the prediction strategies difficult. We use topological data analysis to transform these complex prediction models into a simplified topological view of the prediction landscape. The result is a map of the predictions that enables inspection of the model results with more specificity than dimensionality-reduction methods such as tSNE and UMAP. The methods scale up to large datasets across different domains. We present a case study of a transformer-based model previously designed to predict expression levels of a piece of DNA in thousands of genomic tracks. When the model is used to study mutations in the BRCA1 gene, our topological analysis shows that it is sensitive to the location of a mutation and the exon structure of BRCA1 in ways that cannot be found with tools based on dimensionality reduction. Moreover, the topological framework offers multiple ways to inspect results, including an error estimate that is more accurate than model uncertainty. Further studies show how these ideas produce useful results in graph-based learning and image classification.

Computer Science↗

Accuracy, transferability, and computational efficiency of interatomic potentials for simulations of carbon under extreme conditions

Large-scale atomistic molecular dynamics (MD) simulations provide an exceptional opportunity to advance the fundamental understanding of carbon under extreme conditions of high pressures and temperatures. However, the fidelity of these simulations depends heavily on the accuracy of classical interatomic potentials governing the dynamics of many-atom systems. Here, this study critically assesses several popular empirical potentials for carbon, as well as machine learning interatomic potentials (MLIPs), in their ability to simulate a range of physical properties at high pressures and temperatures, including the diamond equation of state, its melting line, shock Hugoniot, uniaxial compressions, and the structure of liquid carbon. Empirical potentials fail to accurately predict the behavior of carbon under high pressure–temperature conditions. In contrast, MLIPs demonstrate quantum accuracy, with Spectral Neighbor Analysis Potential (SNAP) and atomic cluster expansion (ACE) being the most accurate in reproducing the density functional theory results. ACE displays remarkable transferability despite not being specifically trained for extreme conditions. Furthermore, ACE and SNAP exhibit superior computational performance on graphics processing unit-based systems in billion atom MD simulations, with SNAP emerging as the fastest. In addition to offering practical guidance in selecting an interatomic potential with a fine balance of accuracy, transferability, and computational efficiency, this work also highlights transformative opportunities for groundbreaking scientific discoveries facilitated by quantum-accurate MD simulations with MLIPs on emerging exascale supercomputers.

36 MATERIALS SCIENCE↗

DeepGrid: Robust Deep Reinforcement Learning-based Contingency Management

Increasing uncertainty raised by the integration of renewable energy resources requires an enormous number of simulations to be carried out for the security assessment of the power grid. However, it is challenging to assess the steady-state and dynamic security indices for different system contingency events by doing an exhaustive analysis in real-time due to the computational and communication constraints. One promising solution is using data-driven techniques along with the system models to train an intelligent contingency management framework to better handle the contingencies in real-time. Nevertheless, implementing a data-driven technique to obtain the best remedial actions necessitates to account for the effect of the measurement noise on the performance of the contingency management. To tackle these challenges, we leverage a robust deep reinforcement learning (DRL) algorithm called Double Deep Q-Network (DDQN) to design a recommender system capable of prescribing optimal control actions with the help of the real-time digital simulator (RTDS). The use of RTDS system in combination with the advanced DRL algorithm allows to explore a wide variety of system contingencies in order to derive better remedial actions. The performance of the proposed algorithm is evaluated in IEEE 9-bus system under different loading conditions, and different network configurations in presence of noisy measurements.

Ghasemkhani, Amir↗

Effect of CLIQ on Training of HL-LHC Quadrupole Magnets

The high-luminosity LHC upgrade requires stronger than LHC low-beta quadrupole magnets to reach the luminosity goals of the project. The project is well advanced and HL-LHC quadrupole magnets are currently being commissioned in US Labs (MQXFA magnets) and CERN (MQXFB magnets). Those are the first Nb 3 Sn magnets to be used in any large particle accelerator. At development stages, many Nb 3 Sn accelerator sub-scale models showed relatively slow training and MQXFA magnets were projected to have low tens of quenches before reaching operational field. Recently it was shown that dedicated capacitor-based de-vices can affect Nb 3 Sn magnet training, and it was suggested that CLIQ, a capacitor-based device intended for quench protection, can do too. Here, the present paper investigates effects on training likely induced by CLIQ, using the base fact that only half the coils in a quadrupole experience upward current modulation at quench because of capacitor discharge. The study encompasses all MQXFA production magnets trained at BNL to date. No other high-statistics data from identical magnets (series) with CLIQ protection exist so far. Implications and opportunities stemming from data analysis are discussed and conclusions drawn.

43 PARTICLE ACCELERATORS↗

Effect of CLIQ on training of HL-LHC quadrupole magnets

The high-luminosity LHC upgrade requires stronger than LHC low-beta magnets to reach the luminosity goals of the project. The project is well advanced and HL-LHC quadrupole magnets are currently being commissioned in US Labs (MQXFA magnets) and CERN (MQXFB magnets). Those are the first Nb3Sn magnets to be used in any large particle accelerator. At development stages, many Nb3Sn accelerator sub-scale models showed relatively slow training and MQXFA magnets were projected to have low tens of quenches before reaching operational field. Recently it was shown that dedicated capacitor-based devices can affect Nb3Sn magnet training, and it was suggested that CLIQ, a capacitor-based device intended for quench protection, can do too. The present paper investigates effects on training induced by CLIQ, using the base fact that only half the coils in a quadrupole experience upward current modulation because of the capacitor discharge. The study encompasses all MQXFA production magnets trained at BNL to date. No other high-statistics data from identical magnets (series) with CLIQ protection exists so far. Implications and opportunities stemming from data analysis are discussed and conclusions drawn.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

AGR-5/6/7 Thermal Model with Non-uniform Gas Gaps

The daily as-run thermal analysis for the Advanced Gas Reactor (AGR)-5/6/7 experiment was documented in ECAR-5633 (Hawkes 2021). A finite element model was created for the entire test train, which consisted of five capsules. The fuel compacts, graphite holders, stainless-steel capsule walls, and all other major components were individually modeled, including all thermocouples (TCs). Daily heat rates for each compact and component in the model were input from daily as-run physics analyses. Daily gas compositions for each capsule were also input. The thermal conductivity of the compacts and graphite holders varied with fast neutron fluence. Gas mixture thermal conductivity was implemented using experimentally attained values from the literature. Fluence and temperature-dependent thermal conductivity was used for the graphite components and the fuel compacts. Radiation heat transfer was implemented. The model was tuned in an attempt to match the TC readings during the first cycle by adjusting the Neolube (graphite lubricant) thickness.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

AGC 3 Irradiated Material Properties Analysis

This report documents the analysis of the irradiated material property data from the Advanced Graphite Creep (AGC)-3 graphite specimens. This is the third in a series of six irradiation test trains planned as part of the AGC experiment to fully characterize the neutron irradiation effects and radiation creep behavior of current nuclear graphite grades. The AGC-3 capsule was irradiated in the Idaho National Laboratory Advanced Test Reactor at a nominal temperature of 800°C, beginning with irradiation Cycle 152B on November 28, 2012 and ending with Cycle 155B on April 12, 2014, with a total received dose range of 0.9–3.7 dpa. Larger creep and control specimens located more centrally in the capsule received a dose of 1.0 – 3.7 dpa. AGC-3 was designed to provide irradiation conditions similar to AGC-1 and AGC-2 capsules (similar graphite grades tested, specimen dimensions, mechanical loading conditions) but at a different nominal irradiation temperature of 800°C. AGC-3 was irradiated for a short duration to provide material property values at lower dose levels. AGC-4 will have a longer duration and provide material property values at higher dose levels. After irradiation, material property and dimensional strain measurements were conducted on all AGC-3 specimens (from 11 nuclear graphite grades) using the same equipment and approved standards as were conducted before irradiation. The specimen loading configuration for all graphite grades within AGC-3 followed a similar pattern as earlier AGC capsules to provide easy future comparison of all irradiated material property data.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Parametrizing the detector response with neural networks

In high energy physics, characterizing the response of a detector to radiation is one of the most important and fundamental experimental tasks. In many cases, this task is accomplished by parameterizing summary statistics of the full detector response probability density. The parameterized detector response can then be used for calibration as well as for directly improving physics analysis sensitivity. This paper reports on how to parameterize summary statistics of the detector response using neural networks. Specifically, neural networks are powerful tools for incorporating multidimensional data and the loss function used during training determines which summary statistic is learned. One common summary statistic that has not been combined with deep learning (as far as the authors are aware) is the mode. A neural network-based approach to mode learning is proposed and empirically demonstrated in the context of high energy jet calibrations. Altogether, the neural network-based toolkit for detector response parameterization can enhance the utility of data collected at high energy physics experiments and beyond.

47 OTHER INSTRUMENTATION↗

Machine Learning for Anomaly Detection in Neural Network Security and SRF Cavities

This dissertation explores the development and deployment of machine learning approaches to address critical challenges in anomaly detection across two distinct domains: neural network security in federated learning settings and cavity behavior analysis in particle accelerator operations at Jefferson Lab in Newport News, Virginia. Anomaly detection identifies deviations from expected patterns, safeguarding systems in cybersecurity, industry, and research against malicious activities and failures. This dissertation demonstrates how our machine learning approaches enhance detection accuracy and efficiency in both neural network security and industrial applications. First, we investigate vulnerabilities in deep neural networks deployed in federated learning. Although federated learning preserves user privacy by training models locally, it remains vulnerable to backdoor attacks, in which malicious participants embed hidden triggers that induce targeted misbehavior. We propose a self-supervised contrastive learning framework to detect and mitigate such backdoor attacks. In our experiments, this method achieves higher detection accuracy and lower false positive rates than existing defenses, while operating without access to local model updates or original training data and thus preserving the privacy guarantees of the federated setting. Second, we address the operational reliability of superconducting radio-frequency (SRF) cavities at the Continuous Electron Beam Accelerator Facility (CEBAF). Our research leverages an unsupervised learning approach, combined with Principal Component Analysis (PCA) and k-means clustering, to identify anomalous behaviors in SRF cavities. Our method detects subtle anomalous behavior by analyzing SRF signal data. This knowledge allows for the early detection and resolution of potential faults, significantly improving the efficiency and reliability of operations. Third, we extend these insights to time-series anomaly detection more broadly. We design a contrastive-learning based model tailored to increasingly dynamic environments and academic research. This model improves detection accuracy in settings that require real-time monitoring and predictive maintenance. Our research underscores the broader applicability and impact of advanced machine learning techniques in anomaly detection. By extracting meaningful patterns from complex data, machine learning can significantly enhance security in distributed neural networks and improve the efficiency of particle accelerator operations. This dissertation serves as a stepping stone for future investigations into the vast possibilities of anomaly detection, inspiring further exploration and development of machine learning techniques in this field.

Ferguson, Hal [Old Dominion University]↗

AGR-5/6/7 Capsule 1 Temperature Re-analysis_Grant Hawkes_Final

Slides for Gas-Cooled Reactor AGR-5/6/7 Thermal Model with Non-Uniform Gas Gaps. Includes investigation of offset through modeling and experimental results, ABAQUS finite element model created for the entire test train, Capsule 1 information, Three irradiation dates to compare the thermal model with the working thermocouples (TCs), Offset distances and direction of offset for the top and bottom of the graphite holder with computer runs, determination of offset by the root mean square error (RMSE) between the TCs and model predtictions, and the results.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗