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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 comprehensive study of non-adaptive and residual-based adaptive sampling for physics-informed neural networks

Physics-informed neural networks (PINNs) have shown to be effective tools for solving both forward and inverse problems of partial differential equations (PDEs). PINNs embed the PDEs into the loss of the neural network using automatic differentiation, and this PDE loss is evaluated at a set of scattered spatio-temporal points (called residual points). The location and distribution of these residual points are highly important to the performance of PINNs. However, in the existing studies on PINNs, only a few simple residual point sampling methods have mainly been used. Here, we present a comprehensive study of two categories of sampling for PINNs: non-adaptive uniform sampling and adaptive nonuniform sampling. We consider six uniform sampling methods, including (1) equispaced uniform grid, (2) uniformly random sampling, (3) Latin hypercube sampling, (4) Halton sequence, (5) Hammersley sequence, and (6) Sobol sequence. We also consider a resampling strategy for uniform sampling. To improve the sampling efficiency and the accuracy of PINNs, we propose two new residual-based adaptive sampling methods: residual-based adaptive distribution (RAD) and residual-based adaptive refinement with distribution (RAR-D), which dynamically improve the distribution of residual points based on the PDE residuals during training. Hence, we have considered a total of 10 different sampling methods, including six non-adaptive uniform sampling, uniform sampling with resampling, two proposed adaptive sampling, and an existing adaptive sampling. We extensively tested the performance of these sampling methods for four forward problems and two inverse problems in many setups. Our numerical results presented in this study are summarized from more than 6000 simulations of PINNs. Here, we show that the proposed adaptive sampling methods of RAD and RAR-D significantly improve the accuracy of PINNs with fewer residual points for both forward and inverse problems. Furthermore, the results obtained in this study can also be used as a practical guideline in choosing sampling methods.

97 MATHEMATICS AND COMPUTING↗

Constrained variational optimization of counting-time allocation in sequential scattering measurements: Application to Bonse–Hart USANS

Sequential scattering measurements are often performed under a fixed experimental-time budget, even though the expected count rate varies strongly across the measured coordinate. When the dwell time at each measurement position can be controlled independently, this variation creates a general resource-allocation problem: how should the available time be distributed to minimize the uncertainty of the reconstructed profile? We formulate this problem as a constrained variational optimization for measurements governed by Poisson counting statistics. When each measurement is treated independently, minimizing the averaged squared relative uncertainty yields an inverse-square-root intensity allocation. The formulation is then generalized to include correlations between neighboring measurements and an instrumental resolution operator, leading to an allocation criterion that equalizes the marginal reduction in posterior uncertainty per unit measurement time. Bonse–Hart ultra-small-angle neutron scattering (USANS), in which reciprocal space is sampled sequentially through analyzer-angle stepping, provides an experimentally grounded application. Computational benchmarking shows that the optimized allocation outperforms uniform-time and constant-relative-error strategies, while application to an experimentally measured graphite USANS profile from the Spallation Neutron Source, using Poisson resampling under alternative schedules, demonstrates how counting time should be redistributed toward weak-intensity regions under an identical total duration. The resulting framework applies to sequential scattering and related scanning measurements whenever local dwell times are adjustable and directly determine the measurement uncertainties, and when the relevant correlation and instrumental-response models are available.

Tung, Chi-Huan [ORNL] (ORCID:0000000221972074)↗

Mini-Micropulse Lidar data from TAMU TRACER campaign in the Houston TX region from July to September 2022

During TRACER, the Texas A&M Rapid Onsite Atmospheric Measurements Van (ROAM-V) was deployed to capture airmasses behind (maritime) and ahead (continental) of the passage of the sea-breeze front through Houston. On select sampling days, ROAM-V sampled in the morning/mid-day on the coast and then transited to a second inland site for the afternoon/evening. The suite of instruments deployed on ROAM-V included a Condensation Particle Counter (CPC; GRIMM Model 5.403 CPC), Scanning Mobility Particle Sizer (SMPS; TSI 3750 detector, TSI 3082 classifier, TSI 3088 neutralizer, TSI 3081A Differential Mobility Analyzer), Cloud Condensation Nuclei counter (Droplet Measurement Technologies CCN Counter), micro pulse lidar (Droplet Measurement Technologies Micro Pulse LiDAR (mini-MPL)), and a Davis Rotating Uniform size-cut Monitor (DRUM; DRUMAir 4-DRUM). Before sampling at each location, the latitude and longitude were recorded using the GPS on the phone application “My Altitude”. The mini-MPL deployed with ROAM-V is a 532 nm elastic and polarization lidar. The mini-MPL outputs normalized relative backscatter (NRB) derived from raw signal after after-pulse, overlap, and dead-time correction calibration. The depolarization ratio is calculated from the co-polarized and cross-polarized NRB (Flynna et al., 2007). The NRB and depolarization ratio data are resampled from the original data at 1-minute intervals. The vertical resolution of the mini-MPL data is 15 meters. The mini-MPL data can be used to determine the boundary layer, cloud top, and cloud bottom height and can be used to retrieve aerosol type and concentration profile. This data was collected for ARM Field Campaign AFC07055 and supported by DOE ASR grant DE-SC0021047. For any further questions, please feel free to contact the instrument PI, Sarah D. Brooks, sbrooks@tamu.edu . Flynna, C. J., Mendozaa, A., Zhengb, Y., & Mathurb, S. (2007). Novel polarization-sensitive micropulse lidar measurement technique. Optics express, 15(6), 2785-2790.

54 ENVIRONMENTAL SCIENCES↗

An optical systems analysis approach to image resampling

All types of image registration require some type of resampling, either during the registration or as a final step in the registration process. Thus the image(s) must be regridded into a spatially uniform, or angularly uniform, coordinate system with some pre-defined resolution. Frequently the ending resolution is not the resolution at which the data was observed with. The registration algorithm designer and end product user are presented with a multitude of possible resampling methods each of which modify the spatial frequency content of the data in some way. The purpose of this paper is threefold: (1) to show how an imaging system modifies the scene from an end to end optical systems analysis approach, (2) to develop a generalized resampling model, and (3) empirically apply the model to simulated radiometric scene data and tabulate the results. A Hanning windowed sinc interpolator method will be developed based upon the optical characterization of the system. It will be discussed in terms of the effects and limitations of sampling, aliasing, spectral leakage, and computational complexity. Simulated radiometric scene data will be used to demonstrate each of the algorithms. A high resolution scene will be "grown" using a fractal growth algorithm based on mid-point recursion techniques. The result scene data will be convolved with a point spread function representing the optical response. The resultant scene will be convolved with the detection systems response and subsampled to the desired resolution. The resultant data product will be subsequently resampled to the correct grid using the Hanning windowed sinc interpolator and the results and errors tabulated and discussed.

Lyon, Richard G.↗

Microcanonical Hamiltonian Monte Carlo

We develop Microcanonical Hamiltonian Monte Carlo (MCHMC), a class of models that follow fixed energy Hamiltonian dynamics, in contrast to Hamiltonian Monte Carlo (HMC), which follows canonical distribution with different energy levels. MCHMC tunes the Hamiltonian function such that the marginal of the uniform distribution on the constant-energy-surface over the momentum variables gives the desired target distribution. We show that MCHMC requires occasional energy-conserving billiard-like momentum bounces for ergodicity, analogous to momentum resampling in HMC. We generalize the concept of bounces to a continuous version with partial direction preserving bounces at every step, which gives energy-conserving underdamped Langevin-like dynamics with non-Gaussian noise (MCLMC). MCHMC and MCLMC exhibit favorable scalings with condition number and dimensionality. We develop an efficient hyperparameter tuning scheme that achieves high performance and consistently outperforms NUTS HMC on several standard benchmark problems, in some cases by orders of magnitude.

97 MATHEMATICS AND COMPUTING↗