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Classification improvement by optimal dimensionality reduction when training sets are of small size

A computer simulation was performed to test the conjecture that, when the sizes of the training sets are small, classification in a subspace of the original data space may give rise to a smaller probability of error than the classification in the data space itself; this is because the gain in the accuracy of estimation of the likelihood functions used in classification in the lower dimensional space (subspace) offsets the loss of information associated with dimensionality reduction (feature extraction). A number of pseudo-random training and data vectors were generated from two four-dimensional Gaussian classes. A special algorithm was used to create an optimal one-dimensional feature space on which to project the data. When the sizes of the training sets are small, classification of the data in the optimal one-dimensional space is found to yield lower error rates than the one in the original four-dimensional space.

Starks, S. A.↗

Human Exploration Missions Study Launch Window from Earth Orbit

The determination of orbital launch window characteristics is of major importance in the analysis of human interplanetary missions and systems. The orbital launch window characteristics are directly involved in the selection of mission trajectories, the development of orbit operational concepts, and the design of orbital launch systems. The orbital launch window problem arises because of the dynamic nature of the relative geometry between outgoing (departure) asymptote of the hyperbolic escape trajectory and the earth parking orbit. The orientation of the escape hyperbola asymptotic relative to earth is a function of time. The required hyperbola energy level also varies with time. In addition, the inertial orientation of the parking orbit is a function of time because of the perturbations caused by the Earth's oblateness. Thus, a coplanar injection onto the escape hyperbola can be made only at a point in time when the outgoing escape asymptote is contained by the plane of parking orbit. Even though this condition may be planned as a nominal situation, it will not generally represent the more probable injection geometry. The general case of an escape injection maneuver performed at a time other than the coplanar time will involve both a path angle and plane change and, therefore, a Delta(V) penalty. Usually, because of the Delta(V) penalty the actual departure injection window is smaller in duration than that determined by energy requirement alone. This report contains the formulation, characteristics, and test cases for five different launch window modes for Earth orbit. These modes are: (1) One impulsive maneuver from a Low Earth Orbit (LEO), (2) Two impulsive maneuvers from LEO, (3) Three impulsive maneuvers from LEO, (4) One impulsive maneuvers from a Highly Elliptical Orbit (HEO), (5) Two impulsive maneuvers from a Highly Elliptical Orbit (HEO) The formulation of these five different launch window modes provides a rapid means of generating realistic parametric data for space exploration studies. Also the formulation provides vector and geometrical data sufficient for use as a good starting point in detail trajectory analysis based on calculus of variations, steepest descent, or parameter optimization program techniques.

Young, Archie↗

Design and Calibration of Autonomous Coherent Doppler Lidar for Space Missions

Developed a new algorithm for the simulation of three dimensional homogeneous turbulent velocity fields. For typical atmospheric conditions it is impossible to produce a simulated velocity field that simultaneously satisfy a given spatial correlation and the corresponding spatial spectrum because of spectral aliasing. The new algorithms produce a turbulent velocity field which has accurate spatial correlations which is required for performance predictions from space-based systems. Developed a new algorithm for extracting the spatial statistics of the atmospheric velocity field using coherent Doppler lidar. The performance of the algorithm was compared with past methods and the new algorithm produces useful results for space-based data, which was not possible before. Developed new methods for verification of the errors in ground-based and space-based Doppler lidar wind measurements. These new methods do not require independent in situ data. This is an important issue for the verification of space-based Doppler lidar measurements of the global wind field. The performance of the new algorithm was compared with past results for both space-based and ground-based operation. The new algorithm has the best performance and is the only algorithm that performed satisfactory for spacebased operation. The performance of coherent Doppler lidar for a space missions with various scanning geometries was determined using computer simulation which contained the effects of random instrumental velocity errors, wind shear, wind variability along the range-gate and from shot-to-shot, and random variations in atmospheric aerosol backscatter over the measurement volume. The bias in the velocity estimates was small and the accuracy in the is typically less than 0.5 m/s for high signal conditions. For a large number of shot per velocity estimate, the threshold signal level for acceptable estimates is proportional to the number of shots to the minus one half power. This agrees with previous results determined for ground-based measurements. The use of multi-element optical detectors for autonomous operation of coherent Doppler lidar was shown to be a very promising technique. Optimal detector geometries were determined by computer simulation of performance: for ground-based testing with a fixed calibration target and for space-based operation using the random surface returns. The effects of refractive turbulence on ground-based calibration of coherent Doppler lidar was determined by computer simulations and compared with theoretical predictions. New techniques were required to correctly predict performance for the focused beam geometry commonly used for verification of space-based operation. An improved velocity estimator was evaluated for space-based applications were signal shot measurements are used to produce vector wind measurements. This permits more accurate measurements when the signal level is not known a priori or not available from multiple shot measurements. The average Doppler lidar signal spectrum including the effects of velocity turbulence was derived and calculated. This permits new estimation algorithms for turbulence based on spectral estimates. In situ atmospheric measurements were conducted and analyzed using an instrumented kite-platform. This work helps provide the required in situ data for verification of Doppler lidar velocity statistics.

Frehlich, Rod G.↗

Implicit fast sweeping method for hyperbolic systems of conservation laws

Implicit time-accurate methods are often used to integrate stiff problems where explicit schemes impose severe time step restrictions. This paper presents an efficient numerical framework based on the Fast Sweeping Method (FSM) for solving linear and nonlinear hyperbolic systems of conservation laws. The solution at each discrete location is computed by sweeping the numerical domain in several predetermined directions that follow the causality of the characteristic families. The use of a fractional step strategy eliminates the need for a solution selection criterion while one-sided stencils limit the number of sweeps to at most 2 d for d space dimensions. This work focuses on the first-order implicit upwind method since it constitutes the building block for high-order conservative schemes. For problems where the degree of stiffness evolves over time, implicit-explicit hybridization can be accomplished with the same algorithm by simply switching the stencil at each time level. As opposed to traditional implicit solvers, the sweeping method does not require a local time linearization of the fluxes thereby preserving the nonlinear stability properties of the original implicit scheme. It also avoids the large computational and memory requirements associated with solving large block-diagonal systems of equations. Here, a series of one- and two-dimensional test cases are presented for the inviscid Burgers' equation and the reactive Euler equations. The results indicate that the implicit FSM can allow a major reduction in the number of time steps even in the presence of discontinuous solution profiles.

74 ATOMIC AND MOLECULAR PHYSICS↗

Time-explicit Darwin PIC algorithm

A new approach to Darwin particle-in-cell plasma simulation is described. Using a finite-element approach, the vector potential is assured to be exactly solenoidal. This allows writing the system of multi-species particles as an action-at-a-distance Hamiltonian system. Applying recently-developed explicit symplectic methods to this gives a time-explicit algorithm with all desired properties. Elliptic systems for the electrostatic and magneto-static portions of the problem are inverted efficiently by an algebraic multi-grid algorithm. The algorithm is implemented in a two-dimensional Cartesian-geometry code and tested by application to Weibel instability and to Alfvén wave dynamics. Results show the effectiveness of this approach. Extensions to arbitrary meshes and to a partially time-implicit scheme are briefly discussed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Multi-Formalism Modeling for Disaster Resilience, Forecasting, and Response

Disaster response preparedness, risk mitigation, and effective post-event response are critical for national security, public health, and economic integrity. For areas impacted by extreme events, timely and accurate impact assessments of lifeline infrastructures are critical. Traditional disaster management and situational awareness platforms are not capable of handling the massive influx of available information from traditional and non-traditional sources. Next-generation analytic assessment approaches, where use of dynamically sourced, heterogeneous data with near real-time availability are integrated into a continually-updated analytics framework. The objective of this research was to develop a foundational multi-formalism modeling platform to integrate novel data sources for use in improving situational awareness after a disaster event. Specifically, to 1) provide an architecture for machine-learning based data fusion various multi-sensor datasets; 2) classify, geolocate, and temporally bin novel data sources for use in spatially-enabled machine-learning based data fusion; and 3) derive confidence-based observation data with machine-learning based prediction to fill spatial and temporal observation gaps. This project developed a reusable cloud-based pipeline architecture for ingesting, storing, and analyzing relevant data, executing a range of deep-learning models, and visualize the information geographically. The pipeline development was informed by previous PNNL investments (StreamKit) and built upon leading-edge technologies consisting of: 1) a raw datastore; 2) a data enrichment pipeline with custom and third-party analytics; 3) enriched data storage; and 4) a custom UI to display the enriched data. Machine learning/deep learning models were selected and tested to classify social media images for relevancy and presence of flood waters. Our custom trained relevance models were run on a validation dataset and the overall accuracy of the relevance classifiers ranged from 65% to 90%. We found that convolutional neural network (CNN) models were both faster and more accurate than more traditional machine learning models. We applied the relevance classifier to remove non-relevant images and then undertook a limited training of CNN models to detect flood on ~1,800 labeled images. The testing accuracy of the flood detection models were ~88%. To improve the geographic location of both social media and oblique aerial images we tested a multi-step workflow built on a pre-trained deep-learning model. To identify similarity features from test and reference scenes, we applied the Xception and Faiss models to a set of test images with inaccurate spatial locations, as well and precisely-located reference scenes from the general area. Matching reference scenes to the test scenes with the closest similarity index had limited success in improving the precision of test scene location and additional methods have been identified for testing. Data fusion between authoritative geographic data (satellite imaging) and non-authoritative crowdsourced data is an underlying theme throughout this research and methods are tested bring these data to a common geographic form through feature matching and transformations. The automated extraction of supporting information for disaster response from oblique aerial images or ground-level social media images is accomplished through semantic image segmentation and transformation. The non-authoritative data are used to validate the authoritative data collections and processing and optionally, t+0 flood models. In addition, the common form geographic data are combined with other static landscape features to develop spatially-explicit training vectors used in deep generative statistical inference models to develop complex non-linear relationships in static and dynamic data and ultimately derive a spatially continuous and probabilistic assessment of flood damage with the event domain.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Communications and control for electric power systems

The first section of the report describes the AbNET system, a hardware and software communications system designed for distribution automation (it can also find application in substation monitoring and control). The topology of the power system fixes the topology of the communications network, which can therefore be expected to include a larger number of branch points, tap points, and interconnections. These features make this communications network unlike any other. The network operating software has to solve the problem of communicating to all the nodes of a very complex network in as reliable a way as possible even if the network is damaged, and it has to do so with minimum transmission delays and at minimum cost. The design of the operating protocols is described within the framework of the seven-layer Open System Interconnection hierarchy of the International Standards Organization. Section 2 of the report describes the development and testing of a high voltage sensor based on an electro-optic polymer. The theory of operation is reviewed. Bulk fabrication of the polymer is discussed, as well as results of testing of the electro-optic coefficient of the material. Fabrication of a complete prototype sensor suitable for use in the range 1-20 kV is described. The electro-optic polymer is shown to be an important material for fiber optic sensing applications. Appendix A is theoretical support for this work. The third section of the report presents the application of an artificial neural network, Kohonen's self-organizing feature map, for the classification of power system states. This classifier maps vectors of an N-dimensional space to a 2-dimensional neural net in a nonlinear way preserving the topological order of the input vectors. These mappings are studied using a nonlinear power system model.

Kirkham, H.↗

Human Mars Mission: Launch Window from Earth Orbit

The determination of orbital window characteristics is of major importance in the analysis of human interplanetary missions and systems. The orbital launch window characteristics are directly involved in the selection of mission trajectories, the development of orbit operational concepts, and the design of orbital launch systems. The orbital launch window problem arises because of the dynamic nature of the relative geometry between outgoing (departure) asymptote of the hyperbolic escape trajectory and the earth parking orbit. The orientation of the escape hyperbola asymptotic relative to the earth is a function of time. The required hyperbola energy level also varies with time. In addition, the inertial orientation of the parking orbit is a function of time because of the perturbations caused by the Earth's oblateness. Thus, a coplanar injection onto the escape hyperbola can be made only at a point in time when the outgoing escape asymptote is contained by the plane of parking orbit. Even though this condition may be planned as a nominal situation, it will not generally represent the more probable injection geometry. The general case of an escape injection maneuver performed at a time other than the coplanar time will involve both a path angle and plane change and, therefore, a delta V penalty. Usually, because of the delta V penalty the actual departure injection window is smaller in duration than that determined by energy requirement alone. This report contains the formulation, characteristics, and test cases for five different launch window modes for Earth orbit. These modes are: 1) One impulsive maneuver from a Highly Elliptical Orbit (HEO); 2) Two impulsive maneuvers from a Highly Elliptical Orbit (HEO); 3) One impulsive maneuver from a Low Earth Orbit (LEO); 4) Two impulsive maneuvers form LEO; and 5) Three impulsive maneuvers form LEO. The formulation of these five different launch window modes provides a rapid means of generating realistic parametric data for space exploration studies. Also the formulation provides vector and geometrical data sufficient for use as a good starting point in detail trajectory analysis based on calculus of variations, steepest descent, or parameter optimization program techniques.

Young, Archie↗

Mass Inferencing Model Creation and Deployment to the RASSOR Lunar Excavation Robot

The Regolith Advanced Surface Systems Operations Robot (RASSOR) Excavator is a teleoperated mobile robotic platform with a unique space regolith excavation capability. The Intelligent Capabilities Enhanced RASSOR research project developed functionality for inferencing regolith mass ingested during RASSOR operation, enhancing RASSOR’s ability to successfully complete ISRU missions. To teleoperate or run autonomously, it is crucial for the quantity of regolith mass ingested by RASSOR to be available as a system state for efficient operation. For example, during autonomous operation, RASSOR should navigate and move to a processing plant to offload the collected regolith when the drums are full; without knowledge of how much mass is in the drums, this type of high-level planning is not possible. Four distinct modeling approaches were employed in developing a mass inferencing approach that could work on RASSOR. All take in system states, such as arm/drum positions, velocities, currents, voltages, and robot pose, and output a mass prediction for each set of the robot’s bucket drums.1) A neural network model that takes a vector of normalized system states; 2) A model that uses the integrated power consumption of an arm-raise (normalized by velocity); 3) A model that uses average drum current over a variable length interval of the drum disengaged from the surface; and 4) A real-time estimation model that aggregates excavation drum current. The developed models run in real time, outputting predictions for the front and rear drums, timestamp of the last prediction, and total mass in RASSOR’s drums. Further testing is required to validate the arm-raise model (2), though initial tests indicate reasonable performance (<10% mean error) on the hardware. The linear fit of average drum-current model (3) had a front value of r^2=0.99 and a rear value of r^2=0.98 on the validation dataset. This model currently has the best performance on unseen data. The real time model (4) is still in development, though initial results on a small subset of the training data show that it has high accuracy in predicting the increase in mass during excavation. Though work remains to be done with deploying a high-fidelity model to the physical system that makes predictions with error below the desired threshold, the modular architecture for model development allows quick adjustment of parameters to increase model fidelity. This architecture can also be adapted to use lunar excavation data to create models that are reflective of RASSOR’s dynamics when operating on the lunar surface. The results are promising as it has been shown that models can be developed that accurately estimate excavated regolith mass.

rassor↗

Reconstruction of Charged Particle Tracks in Realistic Detector Geometry Using a Vectorized and Parallelized Kalman Filter Algorithm

One of the most computationally challenging problems expected for the High-Luminosity Large Hadron Collider (HL-LHC) is finding and fitting particle tracks during event reconstruction. Algorithms used at the LHC today rely on Kalman filtering, which builds physical trajectories incrementally while incorporating material e ects and error estimation. Recognizing the need for faster computational throughput, we have adapted Kalman-filterbased methods for highly parallel, many-core SIMD and SIMT architectures that are now prevalent in high-performance hardware. Previously we observed significant parallel speedups, with physics performance comparable to CMS standard tracking, on Intel Xeon, Intel Xeon Phi, and (to a limited extent) NVIDIA GPUs. While early tests were based on artificial events occurring inside an idealized barrel detector, we showed subsequently that our mkFit software builds tracks successfully from complex simulated events (including detector pileup) occurring inside a geometrically accurate representation of the CMS-2017 tracker. Here, we report on advances in both the computational and physics performance of mkFit, as well as progress toward integration with CMS production software. Recently we have improved the overall eciency of the algorithm by preserving short track candidates at a relatively early stage rather than attempting to extend them over many layers. Moreover, mkFit formerly produced an excess of duplicate tracks; these are now explicitly removed in an additional processing step. We demonstrate that with these enhancements, mkFit becomes a suitable choice for the first iteration of CMS tracking, and eventually for later iterations as well. We plan to test this capability in the CMS High Level Trigger during Run 3 of the LHC, with an ultimate goal of using it in both the CMS HLT and oine reconstruction for the HL-LHC CMS tracker.

Cerati, Giuseppe↗

An initial study on the estimation of time-varying volumetric treatment images and 3D tumor localization from single MV cine EPID images

Purpose: In this work the authors develop and investigate the feasibility of a method to estimate time-varying volumetric images from individual MV cine electronic portal image device (EPID) images. Methods: The authors adopt a two-step approach to time-varying volumetric image estimation from a single cine EPID image. In the first step, a patient-specific motion model is constructed from 4DCT. In the second step, parameters in the motion model are tuned according to the information in the EPID image. The patient-specific motion model is based on a compact representation of lung motion represented in displacement vector fields (DVFs). DVFs are calculated through deformable image registration (DIR) of a reference 4DCT phase image (typically peak-exhale) to a set of 4DCT images corresponding to different phases of a breathing cycle. The salient characteristics in the DVFs are captured in a compact representation through principal component analysis (PCA). PCA decouples the spatial and temporal components of the DVFs. Spatial information is represented in eigenvectors and the temporal information is represented by eigen-coefficients. To generate a new volumetric image, the eigen-coefficients are updated via cost function optimization based on digitally reconstructed radiographs and projection images. The updated eigen-coefficients are then multiplied with the eigenvectors to obtain updated DVFs that, in turn, give the volumetric image corresponding to the cine EPID image. Results: The algorithm was tested on (1) Eight digital eXtended CArdiac-Torso phantom datasets based on different irregular patient breathing patterns and (2) patient cine EPID images acquired during SBRT treatments. The root-mean-squared tumor localization error is (0.73 ± 0.63 mm) for the XCAT data and (0.90 ± 0.65 mm) for the patient data. Conclusions: The authors introduced a novel method of estimating volumetric time-varying images from single cine EPID images and a PCA-based lung motion model. This is the first method to estimate volumetric time-varying images from single MV cine EPID images, and has the potential to provide volumetric information with no additional imaging dose to the patient.

60 APPLIED LIFE SCIENCES↗

Time series anomaly detection in power electronics signals with recurrent and ConvLSTM autoencoders

The anomalies in the high voltage converter modulator (HVCM) remain a major down time for the spallation neutron source facility, that delivers the most intense neutron beam in the world for scientific materials research. In this work, we propose neural network architectures based on Recurrent AutoEncoders (RAE) to detect anomalies ahead of time in the power signals coming from the HVCM. Bi-directional gated recurrent unit, bi-directional long-short term memory (LSTM), and convolutional LSTM (ConvLSTM) are developed, trained, and tested using real experimental signals from the HVCM module. The results show a good performance of the proposed RAE models, achieving precision up to 91%, recall up to 88%, false omission rate as low as 20% (i.e. 80% of the anomalies were detected), and area under the ROC curve up to 0.9. The three RAE models provide very comparable performance, with LSTM showing slightly better performance than GRU and ConvLSTM. The RAE models are benchmarked against other anomaly detection methods, including isolation forest, support vector machine, local outlier factor, feedforward and convolutional autoencoders, and others; showing a better performance. Here, the results of this study demonstrate the promising potential of RAE in anomaly detection for real-world power systems, and for increasing the reliability of the HVCM modules in the spallation neutron source.

42 ENGINEERING↗

Computation at a coordinate singularity

Coordinate singularities are sometimes encountered in computational problems. An important example involves global atmospheric models used for climate and weather prediction. Classical spherical coordinates can be used to parameterize the manifold – that is, generate a grid for the computational spherical shell domain. This particular parameterization offers significant benefits such as orthogonality and exact representation of curvature and connection (Christoffel) coefficients. But it also exhibits two polar singularities and at or near these points typical continuity/integral constraints on dependent fields and their derivatives are generally inadequate and lead to poor model performance and erroneous results. Other parameterizations have been developed that eliminate polar singularities, but problems of weaker singularities and enhanced grid noise compared to spherical coordinates (away from the poles) persist. Here, in this study reparameterization invariance of geometric objects (scalars, vectors and the forms generated by their covariant derivatives) is utilized to generate asymptotic forms for dependent fields of interest valid in the neighborhood of a pole. The central concept is that such objects cannot be altered by the metric structure of a parameterization. The new boundary conditions enforce symmetries that are required for transformations of geometric objects. They are implemented in an implicit polar filter of a structured grid, nonhydrostatic global atmospheric model that is simulating idealized Held–Suarez flows. A series of test simulations using different configurations of the asymptotic boundary conditions are made, along with control simulations that use the default model numerics with no absorber, at three different grid sizes. Typically the test simulations are ~ 20% faster in wall clock time than the control—resulting from a decrease in noise at the poles in all cases. In the control simulations adverse numerical effects from the polar singularity are observed to increase with grid resolution. In contrast, test simulations demonstrate robust polar behavior independent of grid resolution.

97 MATHEMATICS AND COMPUTING↗

Superallowed 0 + → 0 + nuclear β decays: 2020 critical survey, with implications for V ud and CKM unitarity

A new critical survey of all half-life, decay-energy and branching-ratio measurements related to 23 superallowed 0 + → 0 + β decays is presented. Included are 222 individual measurements of comparable precision obtained from 174 published references. Compared with our last survey in 2015, we have added results from 28 new publications and eliminated an approximately equal number whose results have been superseded by much more precise modern data. We obtain world-average ft values for each of the 21 transitions that have a complete set of data, then apply radiative and isospin-symmetry-breaking corrections to extract “corrected” Ft values. Fifteen of these Ft values now have a precision of 0.3% or better and all take the same value within statistics, as expected from conservation of the vector current. Their average, Ft¯, when combined with the muon lifetime, yields the up-down quark-mixing element of the Cabibbo-Kobayashi-Maskawa matrix, V ud = 0.97373 ± 0.00031. This is lower than our 2015 result by one standard deviation and its uncertainty is increased by 50%. This is a consequence, not of any shifts in the experimental data, but of new calculations for the radiative corrections. The lower V ud value now leads to greater tension in the top-row test of unitarity in the CKM matrix. Updates in experimental data have independently led to a factor-of-two tighter limit being set on the possible existence of a scalar interaction. In conclusion, the new limit on Fierz interference is b F ≤ 0.0033 at the 90% confidence level.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Scalable Matrix-Free Adaptive Product-Convolution Approximation for Locally Translation-Invariant Operators

We present an adaptive grid matrix-free operator approximation scheme based on a "product-convolution" interpolation of convolution operators. This scheme is appropriate for operators that are locally translation-invariant, even if these operators are high rank or full rank. Such operators arise in Schur complement methods for solving partial differential equations (PDEs), as Hessians in PDE-constrained optimization and inverse problems, as integral operators, as covariance operators, and as Dirichlet-to-Neumann maps. Constructing the approximation requires computing the impulse responses of the operator to point sources centered on nodes in an adaptively refined grid of sample points. A randomized a posteriori error estimator drives the adaptivity. Once constructed, the approximation can be efficiently applied to vectors using the fast Fourier transform. The approximation can be efficiently converted to hierarchical matrix (H-matrix) format, then inverted or factorized using scalable H-matrix arithmetic. The quality of the approximation degrades gracefully as fewer sample points are used, allowing cheap lower quality approximations to be used as preconditioners. Furthermore, this yields an automated method to construct preconditioners for locally translation-invariant Schur complements. We directly address issues related to boundaries and prove that our scheme eliminates boundary artifacts. We test the scheme on a spatially varying blurring kernel, on the nonlocal component of an interface Schur complement for the Poisson operator, and on the data misfit Hessian for an advection dominated advection-diffusion inverse problem. Numerical results show that the scheme outperforms existing methods.

97 MATHEMATICS AND COMPUTING↗

Multitask graph neural networks for elastoplastic response prediction in dual-phase polycrystals

Microstructure-sensitive prediction of elastoplastic response remains a recurring bottleneck in multiscale damage and fatigue modeling, where large ensembles of statistically distinct polycrystals are required to quantify variability and extreme-value behavior. In this work, we develop a multitask graph neural network (GNN) surrogate that maps dual-phase ferrite–martensite polycrystal microstructures to Statistical Volume Element (SVE)-level elastoplastic Quantities of Interest (QoIs). Each SVE is represented as a grain-adjacency graph, with node features encoding phase, geometry, and crystallographic orientation, and edge features encoding relative misorientation. A message-passing graph convolution generates node embeddings, which are pooled into a graph representation and passed to a multitask regression head that jointly predicts 10 scalar QoIs and vector-valued stress–strain responses in orthogonal loading directions across multiple martensite volume fractions and SVE sizes. Results show high accuracy for scalar QoIs and strong agreement for full stress–strain trajectories, with population envelopes reproducing both median behavior and finite-SVE variability across compositions and partition scales. A unified model trained on pooled volume-fraction data preserves most within-regime accuracy relative to regime-specific models while also capturing the broader cross-regime variation reflected in the pooled test set. Distributional comparisons further demonstrate that the surrogate preserves heterogeneity under SVE partitioning, enabling statistically consistent block-wise random-field construction for mesoscale analyses. Overall, the proposed grain-graph surrogate provides a practical pathway to accelerate ensemble-based studies of SVE-level constitutive variability in dual-phase polycrystals.

Crystal plasticity↗

Assessment of Machine Learning for Ultrasonic Nondestructive Evaluation of Alkali–Silica Reaction in Concrete

Alkali–silica reaction (ASR) is a type of material degradation in concrete structures that leads to concrete cracking and rebar corrosion, thereby reducing the material’s structural integrity and the overall structure’s lifetime and raising safety concerns. Ultrasonic nondestructive evaluation (NDE) has been proven to be a valuable technique for assessing concrete properties and monitoring ASR progression in concrete. However, the deployment and analysis of ultrasonic NDE and its data requires specialized expertise, often relying on the engineer’s subjective interpretation. With the surge in computational power, artificial intelligence (AI) and machine learning (ML) algorithms have become popular in automating NDE data analysis. Various industrial sectors are increasingly adopting ML algorithms for NDE data analysis with a growing emphasis on AI–assisted automation. Regulatory agencies are also preparing for this technological shift, anticipating corresponding revisions in standards. Thus, there is an urgent need to identify the capabilities and limitations of current ML technologies for the evaluation of concrete material properties and damage status. Furthermore, the effects of various factors on ML model performance must be thoroughly investigated. The study summarized herein evaluated the effectiveness of two ML models (i.e., support vector regression (SVR) and deep neural network (DNN)) in predicting concrete material damage induced by ASR based on the long-term ultrasonic monitoring data. Four distinct concrete specimens were cast with artificially induced ASR, and over a period exceeding 500 days, ultrasonic signals and expansion data were continuously collected. For the SVR model, wave velocity and 12 other wave features were extracted from the ultrasonic signals, with 6 out of 13 features selected as input for the model. Different combinations of training and testing datasets were designed to explore factors influencing prediction performance, including the range of data within training and testing sets, in addition to various signal preprocessing methodologies. These findings suggest the importance of using a training dataset with a broader data range compared with testing datasets for improved model performance alongside consistent signal preprocessing across datasets.

36 MATERIALS SCIENCE↗

Quasi drag free gradiometry

Gradiometers are instruments for measuring the gradient of the gravity vector. However, these devices are in varying degrees contaminated by gravity itself or by acceleration. To a large extent these problems are avoidable in orbit, and dramatic improvements in operating accuracy are envisioned. The considered improvements could lead to the possibility of detailed global gravity surveys of the earth, or other planets. An obstacle in the path toward the conduction of such surveys is related to the impossibility to demonstrate an instrument's potential orbital performance in the laboratory. A promising approach for orbital testing is possibly a procedure in which the Shuttle is operated as a drag free satellite. This procedure involves floating the gradiometer in the Shuttle bay. However, certain problems arise in connection with such a procedure. The present investigation is concerned with the possibility that the Shuttle's motion problems can be avoided through the use of a quasi-drag-free magnetic suspension.

Seaman, C. H.↗