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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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A kinetic-based regularization method for data science applications

We propose a physics-based regularization technique for function learning, inspired by statistical mechanics. By drawing an analogy between optimizing the parameters of an interpolator and minimizing the energy of a system, we introduce corrections that impose constraints on the lower-order moments of the data distribution. This minimizes the discrepancy between the discrete and continuum representations of the data, in turn allowing to access more favorable energy landscapes, thus improving the accuracy of the interpolator. Our approach improves performance in both interpolation and regression tasks, even in high-dimensional spaces. Unlike traditional methods, it does not require empirical parameter tuning, making it particularly effective for handling noisy data. We also show that thanks to its local nature, the method offers computational and memory efficiency advantages over Radial Basis Function interpolators, especially for large datasets.

97 MATHEMATICS AND COMPUTING↗

NuGraph2 with context-aware inputs: physics-inspired improvements in semantic segmentation

Graph neural networks have recently shown strong promise for event reconstruction tasks in Liquid Argon Time Projection Chambers, yet their performance remains limited for underrepresented classes of particles, such as Michel electrons. In this work, we investigate physics-informed strategies to improve semantic segmentation within the NuGraph2 architecture. We explore three complementary approaches: (i) enriching the input representation with context-aware features derived from detector geometry and track continuity, (ii) introducing auxiliary decoders to capture class-level correlations, and (iii) incorporating energy-based regularization terms motivated by Michel electron energy distributions. Experiments on MicroBooNE public datasets show that physics-inspired feature augmentation yields the largest gains, particularly boosting Michel electron precision and recall by disentangling overlapping latent space regions. In contrast, auxiliary decoders and energy-regularization terms provided limited improvements, partly due to the hit-level nature of NuGraph2, which lacks explicit particle- or event-level representations. Our findings highlight that embedding physics context directly into node-level inputs is more effective than imposing task-specific auxiliary losses, and suggest that future hierarchical architectures such as NuGraph3, with explicit particle- and event-level reasoning, will provide a more natural setting for advanced decoders and physics-based regularization. The code for this work is publicly available on Github at https://github.com/vitorgrizzi/nugraph_phys/tree/main_phys.

Other Experiments↗

Constructing Neural Network Based Models for Simulating Dynamical Systems

Dynamical systems see widespread use in natural sciences like physics, biology, and chemistry, as well as engineering disciplines such as circuit analysis, computational fluid dynamics, and control. For simple systems, the differential equations governing the dynamics can be derived by applying fundamental physical laws. However, for more complex systems, this approach becomes exceedingly difficult. Data-driven modeling is an alternative paradigm that seeks to learn an approximation of the dynamics of a system using observations of the true system. In recent years, there has been an increased interest in applying data-driven modeling techniques to solve a wide range of problems in physics and engineering. Here this article provides a survey of the different ways to construct models of dynamical systems using neural networks. In addition to the basic overview, we review the related literature and outline the most significant challenges from numerical simulations that this modeling paradigm must overcome. Based on the reviewed literature and identified challenges, we provide a discussion on promising research areas.

97 MATHEMATICS AND COMPUTING↗

DENSECL: Haze Mitigation Using Dense Blocks and Contrastive Loss Regularization

Haze, which occurs as a result of the scattering of light in the atmosphere by small particles, diminishes the visibility of scene objects, inflicting important image applications such as object detection. To address the problem, this paper introduces a new physics-based end-to-end deep learning approach to haze mitigation in outdoor scenes, including those in airborne images. The proposed model named DenseCL is designed with dense blocks and adopts a contrastive loss function as an additional regularization. The model also maintains the cycle consistency by remapping the dehazed outputs into a hazy image using the physics-based light scattering function. DenseCL has been trained with publicly available outdoor images and demonstrates outstanding performance on outdoor, indoor, and remotely sensed nonhomogeneous haze satellite images.

Mitra, Somosmita↗

The National Solar Radiation Database Final Report: Fiscal Years 2022-2024

The National Solar Radiation Database (NSRDB) is the leading public source of high-resolution solar resource data in the United States, with more than 400,000 users annually. This database represents the state of the art in the satellite-based estimation of solar resource information and uses a unique physics-based modeling approach that enables improvements in accuracy with the deployment of the next-generation geostationary satellites. Making the highest-quality, state-of-the-art, regularly updated datasets available on a timely basis for users reduces costs of solar deployment by providing accurate information for siting studies and system output prediction and thereby reduces project financing costs and risks.

14 SOLAR ENERGY↗

PINN surrogate of Li-ion battery models for parameter inference, Part II: Regularization and application of the pseudo-2D model

Bayesian parameter inference is useful to improve Li-ion battery diagnostics and can help formulate battery aging models. However, it is computationally intensive and cannot be easily repeated for multiple cycles, multiple operating conditions, or multiple replicate cells. To reduce the computational cost of Bayesian calibration, numerical solvers for physics-based models can be replaced with faster surrogates. A physics-informed neural network (PINN) is developed as a surrogate for the pseudo-2D (P2D) battery model calibration. For the P2D surrogate, additional training regularization was needed as compared to the PINN single-particle model (SPM) developed in Part I. Both the PINN SPM and P2D surrogate models are exercised for parameter inference and compared to data obtained from a direct numerical solution of the governing equations. A parameter inference study highlights the ability to use these PINNs to calibrate scaling parameters for the cathode Li diffusion and the anode exchange current density. By realizing computational speed-ups of ~2250x for the P2D model, as compared to using standard integrating methods, the PINN surrogates enable rapid state-of-health diagnostics. Finally, in the low-data availability scenario, the testing error was estimated to ~2 mV for the SPM surrogate and ~10 mV for the P2D surrogate which could be mitigated with additional data.

25 ENERGY STORAGE↗

Denoising diffusion models with geometry adaptation for high fidelity calorimeter simulation

Simulation is crucial for all aspects of collider data analysis, but the available computing budget in the High Luminosity LHC era will be severely constrained. Generative machine learning models may act as surrogates to replace physics-based full simulation of particle detectors, and diffusion models have recently emerged as the state of the art for other generative tasks. Here, we introduce CaloDiffusion, a denoising diffusion model trained on the public CaloChallenge datasets to generate calorimeter showers. Our algorithm employs 3D cylindrical convolutions, which take advantage of symmetries of the underlying data representation. To handle irregular detector geometries, we augment the diffusion model with a new geometry latent mapping (GLaM) layer to learn forward and reverse transformations to a regular geometry that is suitable for cylindrical convolutions. The showers generated by our approach are nearly indistinguishable from the full simulation, as measured by several different metrics.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

A Multi-Disciplinary Analysis Framework for the Design of Small Launch Vehicles

Between the years of 1995 and 2014 the number of small satellites (1-500 kg) went up from 20 to 180. [1] Out of the 180 launched in 2014 66% were Nano satellites (1-10 kg). [1] With this trend of smaller satellites, one would expect a rise in number of small launch vehicles (SLVs are defined by capability to carry 1-100 kg to orbit), but this has not happened: [3] only 8% of all small satellites are launched on SLVs and the others become secondary payloads on regular launch vehicles. [1] This results in small satellites being placed into either suboptimal orbits or waiting for launch schedules to align with bigger launches, resulting in long waiting times. Dedicated SLVs could improve the responsiveness of small satellite launches, but SLV design is complicated by the large architecture space needed to be explored in order to find efficient and affordable designs. The SLV architecture trade space contains many discrete options, e.g. solid vs. liquid fuels, air launch vs. ground launch, number of stages, etc. [2][3] Performing detailed analysis for all the options at once would be prohibitive. Thus, a sizing environment/framework that is capable of providing necessary information for conceptual-level trade studies and can rapidly explore the vast SLV architecture space is necessary. The framework, illustrated in Figure 1, consists of four disciplines central to the sizing and synthesis of launch vehicles: propulsion, aerodynamics, structures, and trajectory. For the aerodynamics and trajectory disciplines, Missile DATCOM and POST2 are used, respectively. The propulsion and structures disciplines are represented in the framework with tools developed at ASDL Georgia Tech. For propulsion, the Solid Motor Analysis Code (SMAC) is a physics-based conceptual design tool for solid rocket motors. SMAC is capable of geometric burn simulation, ballistic analysis, and prediction of thrust performance. [4] For structures, Launch Vehicle Structural Analysis (LVSA) tool is a physics-based tool that focuses on structural dynamic analysis with sizing capability. These tools are integrated into the framework illustrated in Figure 1 with the corresponding connections described in Table 1. The process flow is as follows: first, SMAC sizes insulation and calculates maximum operating pressures for each vehicle stage. The MEOP and insulation thickness values from SMAC are fed to LVSA which then utilizes this information to size the motor casing. This creates a feedback loop between LVSA and SMAC that converges on the radius available for fuel, casing, and insulation thickness. Once the stage sizing is converged on SMAC creates an engine deck that is passed to POST2. Next, the data from SMAC and LVSA goes into Missile DATCOM which generates an aerodynamics database for POST2. Finally, POST2 performs a targeting optimization while maximizing the payload mass to orbit. Within the framework, POST2 is automated in order to be robust to a wide variety of possible designs by performing a Monte Carlo simulation over the initialization vector of the POST2 optimization variables. To demonstrate the capability of this framework, a sample problem of exploring the design space of an SLV capable of placing satellites into a low Earth orbit (inclination=47 deg, 196.5 by 211.3 nm) is used. This sample problem is a ground-launched SLV consisting of four in-line SRM stages. The multidisciplinary design analysis (MDA) environment is utilized to explore a design space consisting of 22 continuous and 12 discrete variables, shown by Table 1 by blocks 1,2,3. Running a full factorial design of experiments (DOE) would have been prohibitively expensive even with this reduced design space, thus a space filling design with 3,502 and then additional expansion of 2,602 cases was used. The first DOE consisted of 3,502 cases, and all of the variables were varied. These input variables are listed in blocks 1, 2, and 3 in Table 1. Most of the variables are propulsion related with stage lengths determining the delta-V split of the SLV. The expansion consisted of 2,602 cases, and the continuous variables were set to be equal to the most promising designs from the sizing of first DOE. For each set of continuous variables, the discrete variables (grain type, star points, and propellant) were to varied. The results of the DOE can be seen in Figure 2; each of the points in this plot represents a closed launch vehicle that reaches the targeted orbit. For each of the cases, there is information on flown trajectory, structural, and propulsion properties of the SLV. For example, Figure 3 shows changes in altitude and velocity with time for a particular case. The right side of Figure 3 clearly shows the coasting (slow decrease) and burning phases (sharp increase) of the SLV mission. LV mass is positively correlated with the optimized payload mass to orbit because heavier LVs carry more fuel and thus have more stored chemical energy. Furthermore, for any given payload mass to orbit, the most efficient design would result in the smallest LV. The results as visualized in Figure 2 shows this tradeoff, and the Pareto frontier of the efficient designs can be seen along the dotted line. Figure 2 can be divided into regions with the lowest mass vehicles corresponding to the minimum bound on radius, and the highest mass vehicles corresponding to the maximum bound on radius. Within a mass region, the discrete variables, such as propellant type and propellant grain arrangement, have the most effect on payload mass. This paper presents an MDA framework that can perform an automated physics-based sizing of SLV designs and a corresponding methodology to utilize the MDA to explore the design space of SLVs. The proposed methodology was applied to a perform a design space exploration for a four stage SLV. The outputs show the expected pareto frontier forming and provide detailed information about the SLV performance and staging. Using the produced data, it will be possible to select a set of pareto optimal designs that can then be further explored in subsequent design cycles. This demonstration shows that automated design space exploration should be used in the early phase design of future SLV concepts.

Nikita S Birbasov↗

Insights into Slip-Rate Time Functions, Rupture Parameter Correlations, and Ground Motions from Validated Multicycle Earthquake Ruptures

Earthquake strong-motion predictions using kinematic source modeling require knowledge of the slip-rate functions (SRFs) along the rupture and their distinct characteristics in asperities, background (off-asperity) areas and near the surface. Here, in this study we analyzed SRFs from well-validated, self-consistent, and fully dynamic rupture models from earthquake cycles obeying a rate-and-state friction law, from our companion study (Galvez et al., 2021). The shapes of SRFs in asperities are well described by the regularized Yoffe function (RYF), which has only two parameters: rise time T r and smoothing time T s , which control the generation of long- and short-period ground motions, respectively. In background areas, we demonstrate that, in addition to the primary rupture, multiple secondary ruptures may also nucleate from rupture heterogeneities related to asperities, resulting in SRFs with multiple peaks. Because it is impossible to fit a multiple-peak SRF by the single-peak RYF, we describe SRFs in background areas in an effective way by fitting their amplitude spectra with the RYF spectra. Such spectrally effective RYFs capture salient aspects of seismic-wave generation and can be used in rupture generators for strong motion prediction. We found that small T s values correlate with small characteristic weakening distances, large peak slip rates (PSRs), and large rupture velocities. T r values are larger in background areas and smaller in asperities. Within the shallow aseismic zone, T s values approximately quadruple whereas T r values approximately double. Because of this dominant T s increase, PSR values decrease in the near-surface zone. These features indicate that the generation of strong motions by the near-surface portions of the rupture is negligible in the studied scenarios.

Geosciences↗

Machine learning unifies flexibility and efficiency of spinodal structure generation for stochastic biomaterial design

Abstract Porous biomaterials design for bone repair is still largely limited to regular structures (e.g. rod-based lattices), due to their easy parameterization and high controllability. The capability of designing stochastic structure can redefine the boundary of our explorable structure–property space for synthesizing next-generation biomaterials. We hereby propose a convolutional neural network (CNN) approach for efficient generation and design of spinodal structure—an intriguing structure with stochastic yet interconnected, smooth, and constant pore channel conducive to bio-transport. Our CNN-based approach simultaneously possesses the tremendous flexibility of physics-based model in generating various spinodal structures (e.g. periodic, anisotropic, gradient, and arbitrarily large ones) and comparable computational efficiency to mathematical approximation model. We thus successfully design spinodal bone structures with target anisotropic elasticity via high-throughput screening, and directly generate large spinodal orthopedic implants with desired gradient porosity. This work significantly advances stochastic biomaterials development by offering an optimal solution to spinodal structure generation and design.

59 BASIC BIOLOGICAL SCIENCES↗

Physics-Informed Machine Learning Model for Ceramic Matrix Composite Creep

A physics-informed recurrent neural network (RNN) based surrogate model is developed to emulate the nonlinear, time-dependent constitutive behavior of ceramic matrix composites (CMCs) driven by matrix damage and constituent creep at the microscale. Physics-informed constraints are introduced into the surrogate model through regularization to ground the prediction in physics and improve its predictive capabilities. Training data is generated using the high-fidelity generalized method of cells (HFGMC) approach which calls appropriate creep and damage models for each of the constituents. This coupling permits simulating the nonlinear behavior of CMCs based on constituent response at the microscale along with microstructural features such as fiber and porosity volume fraction and fiber radius. The microscale repeating unit cell is loaded under creep fatigue conditions to replicate the material loading experienced in a turbine engine. Therefore, the RNN-based surrogate model is tasked with predicting, as a function of variable input stress sequence, temperature, and microstructural features, the resulting strain history response while satisfying physical constraints related to creep rate, isochoric inelastic deformation, and strain energy density. The trained surrogate model is shown to effectively match the strain history over quantified distributions of microstructural features and relevant loading regimes and temperatures. Neural network based surrogate models can offer efficient alternatives to running computationally intensive multiscale material models to simulate the nonlinear response of large structural models. Therefore, the presented work provides evidence towards the feasibility of developing, training, and running such models for CMCs with complex microstructures, nonlinear time-dependent material response, and under non-monotonic loading conditions.

ceramic matrix composites↗