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At least 1,027 records · Page 57

Physics-informed machine learning

Despite great progress in simulating multiphysics problems using the numerical discretization of partial differential equations (PDEs), one still cannot seamlessly incorporate noisy data into existing algorithms, mesh generation remains complex, and high-dimensional problems governed by parameterized PDEs cannot be tackled. Moreover, solving inverse problems with hidden physics is often prohibitively expensive and requires different formulations and elaborate computer codes. Machine learning has emerged as a promising alternative, but training deep neural networks requires big data, not always available for scientific problems. Instead, such networks can be trained from additional information obtained by enforcing the physical laws (for example, at random points in the continuous space-time domain). Such physics-informed learning integrates (noisy) data and mathematical models, and implements them through neural networks or other kernel-based regression networks. Moreover, it may be possible to design specialized network architectures that automatically satisfy some of the physical invariants for better accuracy, faster training and improved generalization. Furthermore, we review some of the prevailing trends in embedding physics into machine learning, present some of the current capabilities and limitations and discuss diverse applications of physics-informed learning both for forward and inverse problems, including discovering hidden physics and tackling high-dimensional problems.

97 MATHEMATICS AND COMPUTING↗

Enabling Interoperable SCADA Communications for PV Inverters through Embedded Controllers

The percentage integration of photovoltaic (PV) inverters in the field has increased significantly in the past 5 years. Regardless of the size of the PV plants and the inverters (residential vs. commercial), it is becoming crucial that these devices have the capability to communicate with peers (other smart devices) and with components that are at a hierarchy above the inverters (e.g., supervisory control and data acquisition (SCADA) systems, distributed controllers, and data managers). This project aims to develop a standard SCADA software code for inverters’ embedded controllers that will enable interoperability with other components in the system. To achieve this, the code will be developed using two different protocols: Distributed Network Protocol 3 and International Electrotechnical Commission 61850. The developed code is aimed to be deployed in simple embedded controllers. It will be tested in the National Renewable Energy Laboratory’s (NREL’s) Energy Systems Integration Facility. The tested code will then be made available through Triangle MicroWorks’s (TMW’s) software platform. The primary objectives of this project include training the NREL team with TMW’s embedded controller libraries, developing an interoperable communication code for embedded controllers, successfully testing and deploying the code, and demonstrating the newly developed code in a conference.

14 SOLAR ENERGY↗

Learning Implicit Models of Complex Dynamical Systems From Partial Observations [Slides]

Conclusions: certain data-driven models do implicitly what physics simulations do explicitly; theoretical underpinnings in Koopman theory, delay-coordinate embeddings, and Mori-Zwanzig formalism; best approach for given system with finite data an open question; physics-informed machine learning (PIML) emerging framework for combining explicit and implicit modeling.

97 MATHEMATICS AND COMPUTING↗

User's manual for the Langley boundary layer noise propagation program (MRS-BLP)

A computer program, McAninch-Rawls-Spence Boundary Layer Propagation (MRS-BLP), is described. This program models the refractive and scattering effects on acoustic pressure waves propagating through a boundary layer encompassing an aircraft's fuselage. The noise source is assumed known and generated by a propeller. The fuselage is represented by an infinitely long cylinder embedded in a longitudinal flow. By matching a numerical solution inside the boundary layer with an analytical solution outside the boundary layer, the program calculates the acoustic pressure at the surface of the cylinder given the incident field at the top of the boundary layer. The boundary layer flow velocity and sound speed profiles, as well as the boundary layer thickness may be specified by the user. A detailed description of the input parameters and how to execute the program is given. Example executions of MRS-BLP showing results are also included.

Spence, Peter L.↗

Spacecraft-plasma interaction codes: NASCAP/GEO, NASCAP/LEO, POLAR, DynaPAC, and EPSAT

Development of a computer code to simulate interactions between the surfaces of a geometrically complex spacecraft and the space plasma environment involves: (1) defining the relevant physical phenomena and formulating them in appropriate levels of approximation; (2) defining a representation for the 3-D space external to the spacecraft and a means for defining the spacecraft surface geometry and embedding it in the surrounding space; (3) packaging the code so that it is easy and practical to use, interpret, and present the results; and (4) validating the code by continual comparison with theoretical models, ground test data, and spaceflight experiments. The physical content, geometrical capabilities, and application of five S-CUBED developed spacecraft plasma interaction codes are discussed. The NASA Charging Analyzer Program/geosynchronous earth orbit (NASCAP/GEO) is used to illustrate the role of electrostatic barrier formation in daylight spacecraft charging. NASCAP/low Earth orbit (LEO) applications to the CHARGE-2 and Space Power Experiment Aboard Rockets (SPEAR)-1 rocket payloads are shown. DynaPAC application to the SPEAR-2 rocket payloads is described. Environment Power System Analysis Tool (EPSAT) is illustrated by application to Tethered Satellite System 1 (TSS-1), SPEAR-3, and Sundance. A detailed description and application of the Potentials of Large Objects in the Auroral Region (POLAR) Code are presented.

Mandell, M. J.↗

LiveCheckHSI: a Hardware/Software Co-verification Tool for Hyperspectral Imaging Systems with Embedded System-on-Chip Instrument Avionics

The emergent technology of system-on-chip (SoC) devices promises lighter, smaller, cheaper, and more capable and reliable space electronic systems that could help to unveil some of the most treasured secrets in our universe. This technology is an improvement over the technology that is currently used in space applications, which lags behind state-of-the-art commercial-off-the-shelf (COTS) equipment by several generations. SoC technology integrates all computational power required by next-generation space exploration science instruments onto a single chip. This paper describes hardware/software co-verification tools for the Xilinx Zynq-based control and data handling system that have been developed at the Jet Propulsion Laboratory (JPL) for visible-infrared imaging spectrometers. The system acquires and compresses images in real-time, in addition to programming the spectrometer (frame rate, exposure time), focus step motor, and heaters and reporting telemetry.

Dolman, David↗

Method to Investigate Cognitive Aging Effects in Nuclear Operations Using the Rancor Microworld Simulator

Many nuclear power plant (NPP) operators are close to, or at retirement age. Since NPP operators are responsible for tasks that engage different and complex cognitive abilities, human factors researchers recently called for the need to examine cognitive aging effects and potential interactions with modernized control rooms. One way control rooms are being modernized is by replacing paper-based procedures with computer-based procedures (CBPs). This paper outlines a method for testing preference and usability of three types of CBPs as a function of age, in simulated NPP operations. The Rancor Microworld Simulator will be used, which mimics an NPP control room, allowing novices to learn to perform operator tasks quickly. The experiment will have two independent variables: age (young and old) and CBP-type (Type 1, Type 2, and Type 3). The three types of CBPs vary in levels of embedded instrumentation and controls. Adults aged 18–25 years (young group) and =60 years (older group) will be recruited from the general population. The dependent variables will be preference and usability metrics via survey and simulator logs. All participants will perform two scenario types (startup and loss of feedwater operations) and will be randomly assigned to one type of CBP to guide them through the scenario. Analyses of variance (ANOVAs) will be used to determine whether there is a main effect of age and any age x CBP-type interactions on the preference and usability dependent variables.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Physics-constrained Gaussian process model for prediction of hydrodynamic interactions between wave energy converters in an array

To improve the efficiency of wave farms and achieve maximum power generation, the layout of wave energy converters (WECs) in an array needs to be carefully designed so that the hydrodynamic interactions can be positively exploited. For this, the hydrodynamic characteristics of the WEC array in different layouts need to be calculated. However, such calculations using numerical models usually entail significant computational cost, especially for large arrays of WECs. To address the computational challenge, a physics-constrained Gaussian process (GP) model is proposed to replace the original expensive numerical model and predict the hydrodynamic characteristics of the WECs for any array layout. By exploring the relationship between the WEC array (i.e., the input) and different hydrodynamic characteristics (i.e., the output), here we summarize a set of physical constraints/features, including invariance, symmetry, and additivity. This prior knowledge about the input-output relationship is then directly embedded in the constructed GP model through the design of physics-constrained kernels. In particular, a double-sum invariant kernel is first developed to incorporate the invariance and symmetry features, and then an additive kernel is developed to incorporate the additive feature of the problem. The invariant kernel and the additive kernel are then integrated to construct the physics-constrained GP model. Compared to the standard GP model, the proposed physics-constrained GP models require less training data to achieve the desired accuracy in predicting the hydrodynamic characteristics and are also less vulnerable to the curse of dimensionality (i.e., good scalability for large arrays) due to the use of an additive kernel. The efficiency, accuracy, and scalability of the proposed approach are demonstrated through an application to predict the hydrodynamic characteristics for WEC arrays of different sizes and layouts.

16 TIDAL AND WAVE POWER↗

Multimodal Defect Imaging of Pure Tungsten Components Fabricated via Electron Beam Powder Bed Fusion

The utilization of additive manufacturing (AM) techniques for refractory materials in high-temperature environments has significantly expanded because of the ability to fabricate geometrically complex components. Electron beam powder bed fusion (EB-PBF), which provides lower residual stress, a cleaner vacuum environment, and better efficiency for high melting point, is one of the best-suited AM methods to produce advanced refractory components. However, the property variation attributed to the heterogeneous microstructure and process-induced defects has hindered the widespread adoption of EB-PBF-produced material like tungsten. While numerous in-situ monitoring and defect detection methods have been demonstrated for EB-PBF, a workflow that compares and evaluates process-induced abnormalities from different imaging perspectives is still limited. This study examines a feature-embedded tungsten component manufactured via the EB-PBF process to demonstrate the defect detection capabilities of a multimodal defect imaging workflow. The predefined and process-induced defects are evaluated by harnessing various imaging techniques, including in-situ electron imaging, layerwise near-infrared (NIR) imaging, post-build high-energy x-ray computed tomography (CT), and conventional destructive metallography. The results highlight the strengths and limitations of distinctive defect imaging techniques concerning specific defect types, sizes, and conditions. It was found that electron imaging can provide more abnormal detection capabilities while maintaining a higher measuring accuracy, against the conventional metallography in this case study, compared with NIR and CT imaging techniques.

36 MATERIALS SCIENCE↗

Increasing the Scale of the Mass Spectrometry Query Language Compendium with Explainable AI

A significant bottleneck in metabolomics data interpretation is the effective use of domain knowledge to assign structural information based on fragmentation patterns. The mass spectrometry query language (MassQL) aims to make this process accessible and applicable across multiple analysis platforms. While advanced computational methods are capable of predicting compound structures from fragmentation data, AI/ML approaches often rely on complex, opaque criteria that are difficult to interpret or modify. As a result, their predictive patterns cannot be readily translated into human-readable rules, such as those used in MassQL. Here, in this study, we introduce ChemEcho, a machine learning embedding method that converts tandem mass spectrometry data into sparse feature vectors containing peak and neutral mass subformulae to enhance explainable AI/ML-based methods. An advantage of this approach is that decision trees trained using these feature vectors can be directly translated to MassQL. Using a battery of decision trees trained using ChemEcho embeddings to predict molecular attributes, we generated over 1500 MassQL queries for 765 molecular features and evaluated their precision and recall. From these queries, the 50 highest-performing queries were integrated into the MassQL compendium. This set of generated MassQL queries included environmentally and biologically relevant classes such as PFAS and molecules containing phosphate or sulfate substructures. To illustrate the impact these queries would have on a typical metabolomics experiment, these MassQL queries were applied to a public metabolomics data set─resulting in a marked increase in the structural information derived from tandem mass spectra. Access and reuse of these queries is expected to enhance structural annotation in untargeted experiments, leading to more specific claims and advancing many applications in metabolomics.

Harwood, Thomas V. [USDOE Joint Genome Institute (↗

Distilling Knowledge from Ensembles of Cluster-Constrained-Attention Multiple-Instance Learners for Whole Slide Image Classification

The peculiar nature of whole slide imaging (WSI), digitizing conventional glass slides to obtain multiple high resolution images which capture microscopic details of a patient’s histopathological features, has garnered increased interest from the computer vision research community over the last two decades. Given the unique computational space and time complexity inherent to gigapixel-size whole slide image data, researchers have proposed novel machine learning algorithms to aid in the performance of diagnostic tasks in clinical pathology. One effective algorithm represents a Whole slide image as a bag of smaller image patches, which can be represented as low-dimension image patch embeddings. Weakly supervised deep-learning methods, such as cluster-constrained-attention multiple instance learning (CLAM), have shown promising results when combined with image patch embeddings. While traditional ensemble classifiers yield improved task performance, such methods come with a steep cost in model complexity. Through knowledge distillation, it is possible to retain some performance improvements from an ensemble, while minimizing costs to model complexity. In this work, we implement a weakly supervised ensemble using clustering-constrained-attention multiple-instance learners (CLAM), which uses attention and instance-level clustering to identify task salient regions and feature extraction in whole slides. By applying logit-based and attention-based knowledge distillation, we show it is possible to retain some performance improvements resulting from the ensemble at zero cost to model complexity.

Alamudun, Folami↗

Replacing non-biomedical concepts improves embedding of biomedical concepts

Embeddings are semantically meaningful representations of words in a vector space, commonly used to enhance downstream machine learning applications. Traditional biomedical embedding techniques often replace all synonymous words representing biological or medical concepts with a unique token, ensuring consistent representation and improving embedding quality. However, the potential impact of replacing non-biomedical concept synonyms has received less attention. Embedding approaches often employ concept replacement to replace concepts that span multiple words, such as non-small-cell lung carcinoma, with a single concept identifier (e.g., D002289). Also, all synonyms of each concept are merged into the same identifier. Here, we additionally leveraged WordNet to identify and replace sets of non-biomedical synonyms with their most common representatives. This combined approach aimed to reduce embedding noise from non-biomedical terms while preserving the integrity of biomedical concept representations. We applied this method to 1,055 biomedical concept sets representing molecular signatures or medical categories and assessed the mean pairwise distance of embeddings with and without non-biomedical synonym replacement. A smaller mean pairwise distance was interpreted as greater intra-cluster coherence and higher embedding quality. Embeddings were generated using the Word2Vec algorithm applied to a corpus of 10 million PubMed abstracts. Our results demonstrate that the addition of non-biomedical synonym replacement reduced the mean intra-cluster distance by an average of 8%, suggesting that this complementary approach enhances embedding quality. Future work will assess its applicability to other embedding techniques and downstream tasks. Python code implementing this method is provided under an open-source license.

algorithms↗

Time-split finite-volume method for three-dimensional blunt-body flow

An efficient numerical method for calculating plane, axisymmetric, and fully three-dimensional blunt-body flow is presented. It is a second-order-accurate, time-dependent finite-volume procedure that solves the Euler equations in integral conservation-law form. These equations are written with respect to a Cartesian coordinate system in which an embedded mesh adjusts in time to the motion of the bow shock that is automatically captured as part of the weak solution. With such an adjusting mesh, oscillations in flow properties near the shock are shown to be virtually eliminated. The scheme uses a time-splitting concept that accelerates the convergence appreciably. Comparisons are made between computed and experimental results.

Rizzi, A. W.↗

Numerical simulation of viscous-inviscid interactions on indented nose tips

An implicit numerical algorithm to solve the unsteady thin-layer Navier-Stokes equations in a strong conservative form has been used to compute the viscous flow over indented nose tips placed in a supersonic free stream. Numerical solutions are presented for axisymmetric and three-dimensional indented configurations for laminar flow conditions. Results demonstrate the capability of the present numerical procedure to predict flow fields that contain strong viscous-inviscid interactions, including boundary-layer separation, reattachment, and embedded discontinuities. Comparisons with available experimental data for the shock shape and surface pressure are also given.

Rizk, Y. M.↗

Knowledge-based assistance for science visualization and analysis using large distributed databases

Within this decade, the growth in complexity of exploratory data analysis and the sheer volume of space data require new and innovative approaches to support science investigators in achieving their research objectives. To date, there have been numerous efforts addressing the individual issues involved in inter-disciplinary, multi-instrument investigations. However, while successful in small scale, these efforts have not proven to be open and scaleable. This proposal addresses four areas of significant need: scientific visualization and analysis; science data management; interactions in a distributed, heterogeneous environment; and knowledge-based assistance for these functions. The fundamental innovation embedded within this proposal is the integration of three automation technologies, namely, knowledge-based expert systems, science visualization and science data management. This integration is based on the concept called the Data Hub. With the Data Hub concept, NASA will be able to apply a more complete solution to all nodes of a distributed system. Both computation nodes and interactive nodes will be able to effectively and efficiently use the data services (access, retrieval, update, etc.) with a distributed, interdisciplinary information system in a uniform and standard way. This will allow the science investigators to concentrate on their scientific endeavors, rather than to involve themselves in the intricate technical details of the systems and tools required to accomplish their work. Thus, science investigators need not be programmers. The emphasis will be on the definition and prototyping of system elements with sufficient detail to enable data analysis and interpretation leading to publishable scientific results. In addition, the proposed work includes all the required end-to-end components and interfaces to demonstrate the completed concept.

Handley, Thomas H., Jr.↗

Structural relations between collagen and mineral in bone as determined by high voltage electron microscopic tomography

Aspects of the ultrastructural interaction between collagen and mineral crystals in embryonic chick bone have been examined by the novel technique of high voltage electron microscopic tomography to obtain three-dimensional information concerning extracellular calcification in this tissue. Newly mineralizing osteoid along periosteal surfaces of mid-diaphyseal regions from normal chick tibiae was embedded, cut into 0.25 microns thick sections, and documented at 1.0 MV in the Albany AEI-EM7 high voltage electron microscope. The areas of the tissue studied contained electron dense mineral crystals associated with collagen fibrils, some marked by crystals disposed along their cylindrically shaped lengths. Tomographic reconstructions of one site with two mineralizing fibrils were computed from a 5 degrees tilt series of micrographs over a +/- 60 degrees range. Reconstructions showed that the mineral crystals were platelets of irregular shape. Their sizes were variable, measured here up to 80 x 30 x 8 nm in length, width, and thickness, respectively. The longest crystal dimension, corresponding to the c-axis crystallographically, was generally parallel to the collagen fibril long axis. Individual crystals were oriented parallel to one another in each fibril examined. They were also parallel in the neighboring but apparently spatially separate fibrils. Crystals were periodically (approximately 67 nm repeat distance) arranged along the fibrils and their location appeared to correspond to collagen hole and overlap zones defined by geometrical imaging techniques. The crystals appeared to be continuously distributed along a fibril, their size and number increasing in a tapered fashion from a relatively narrow tip containing smaller and infrequent crystals to wider regions having more densely packed and larger crystals. Defined for the first time by direct visual 3D imaging, these data describe the size, shape, location, orientation, and development of early crystals in normal bone collagen. The results suggest that platelet-shaped crystals are arranged in channels or grooves which are formed by collagen hole zones in register and that crystal sizes may exceed the dimensions of hole zones. Such data agree with those from mineral-matrix interaction in normally calcifying avian tendon obtained by similar high voltage tomographic means, but in addition they indicate a possible gradual and continuous deposition of crystals in collagen of bone unlike tendon and imply that individual collagen fibrils in local regions of osteoid are organized such that they all may be aligned in a coherent manner.

NASA Discipline Number 40-40↗

Light Scattering by an Infinite Circular Cylinder Immersed in an Absorbing Medium

Analytic solutions are developed for the single-scattering properties of an infinite dielectric cylinder embedded in an absorbing medium with normal incidence, which include extinction, scattering and absorption efficiencies, the scattering phase function, and the asymmetry factor. The extinction and scattering efficiencies are derived by the near-field solutions at the surface of the particle. The normalized scattering phase function is obtained by use of the far-field approximation. Computational results show that while the absorbing medium significantly reduces the scattering efficiency, it has little effect on absorption efficiency. The absorbing medium can significantly change the conventional phase function. The absorbing medium also strongly affects the polarization of the scattered light. However, for large absorbing particles the degrees of polarization change little with the medium s absorption. This implies that if the transmitting lights are strongly weakened inside the particle the scattered polarized lights can be used to identify objects even when the absorption property of the host medium is unknown, which is very important for both active and passive remote sensing.

Sun, W.↗