Search NASA⌕ Search

SEARCH · Search NASA

Results for “image based modeling”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 361 records · Page 20
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

A Deep Generative Deconvolutional Image Model

A deep generative model is developed for representation and analysis of images, based on a hierarchical convolutional dictionary-learning framework. Stochastic unpooling is employed to link consecutive layers in the model, yielding top-down image generation. A Bayesian support vector machine is linked to the top-layer features, yielding max-margin discrimination. Deep deconvolutional inference is employed when testing, to infer the latent features, and the top-layer features are connected with the max-margin classifier for discrimination tasks. The model is efficiently trained using a Monte Carlo expectation-maximization (MCEM) algorithm; the algorithm is implemented on graphical processor units (GPU) to enable large-scale learning, and fast testing. Excellent results are obtained on several benchmark datasets, including ImageNet, demonstrating that the proposed model achieves results that are highly competitive with similarly sized convolutional neural networks.

convolutional neural network↗
NASA NTRS2003

Characterizing the Siple Coast Ice Stream System using Satellite Images, Improved Topography, and Integrated Aerogeophysical Measurements

A technique for improving elevation maps of the polar ice sheets has been developed using AVHRR images. The technique is based on 'photoclinometry' or 'shape from shading', a technique used in the past for mapping planetary surfaces where little elevation information was available. The fundamental idea behind photoclinometry is using the brightness of imaged areas to infer their surface slope in the sun-illuminated direction. Our version of the method relies on a calibration of the images based on an existing lower-resolution digital elevation model (DEM), and then using the images to improve the input DEM resolution to the scale of the image data. Most current DEMs covering the ice sheets are based on Radar altimetry data, and have an inherent resolution of 10 to 25 km at best - although the grid scale of the DEM is often finer. These DEMs are highly accurate (to less than 1 meter); but they report the mean elevation of a broad area, thus erasing smaller features of glaciological interest. AVHRR image data, when accurately geolocated and calibrated, provides surface slope measurements (based on the pixel brightness under known lighting conditions) every approximately 1.1 km. The limitations of the technique are noisiness in the image data, small variations in the albedo of the snow surface, and the integration technique used to create an elevation field from the image-derived slopes. Our study applied the technique to several ice sheet areas having some elevation data; Greenland, the Amery Ice Shelf, the Institute Ice Stream, and the Siple Coast. For the latter, the input data set was laser-altimetry data collected under NSF's SOAR Facility (Support Office for Aerogeophysical Research) over the onset area of the Siple Coast. Over the course of the grant, the technique was greatly improved and modified, significantly improving accuracy and reducing noise from the images. Several publications resulted from the work, and a follow-on proposal to NASA has been submitted to apply the same method to MODIS data using ICESat and other elevation input information. This follow-on grant will explore two applications that are facilitated by the improved surface morphology characterizations of the ice sheets: accumulation and temperature variations near small undulations in the ice.

Scambos, Ted↗
DOE OSTI2015

SU-D-207-04: GPU-Based 4D Cone-Beam CT Reconstruction Using Adaptive Meshing Method

Purpose: Due to the limited number of projections at each phase, the image quality of a four-dimensional cone-beam CT (4D-CBCT) is often degraded, which decreases the accuracy of subsequent motion modeling. One of the promising methods is the simultaneous motion estimation and image reconstruction (SMEIR) approach. The objective of this work is to enhance the computational speed of the SMEIR algorithm using adaptive feature-based tetrahedral meshing and GPU-based parallelization. Methods: The first step is to generate the tetrahedral mesh based on the features of a reference phase 4D-CBCT, so that the deformation can be well captured and accurately diffused from the mesh vertices to voxels of the image volume. After the mesh generation, the updated motion model and other phases of 4D-CBCT can be obtained by matching the 4D-CBCT projection images at each phase with the corresponding forward projections of the deformed reference phase of 4D-CBCT. The entire process of this 4D-CBCT reconstruction method is implemented on GPU, resulting in significantly increasing the computational efficiency due to its tremendous parallel computing ability. Results: A 4D XCAT digital phantom was used to test the proposed mesh-based image reconstruction algorithm. The image Result shows both bone structures and inside of the lung are well-preserved and the tumor position can be well captured. Compared to the previous voxel-based CPU implementation of SMEIR, the proposed method is about 157 times faster for reconstructing a 10 -phase 4D-CBCT with dimension 256×256×150. Conclusion: The GPU-based parallel 4D CBCT reconstruction method uses the feature-based mesh for estimating motion model and demonstrates equivalent image Result with previous voxel-based SMEIR approach, with significantly improved computational speed.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

TU-FG-201-07: Development of SRS Conical Collimator Collision Prediction Software for Radiation Treatment Safety

Purpose: Stereotactic radiosurgery (SRS) treatments using conical collimators can potentially result in gantry collision with treatment table due to limited collision-clear spaces. An in-house software was developed to help the SRS treatment planner mitigate potential SRS conical collimator (Varian Medical System, Palo Alto, CA) collisions with the treatment table. This software was designed to remove treatment re-planning secondary to unexpected collisions. Methods: A BrainLAB SRS ICT Frameless Extension used for SRS treatments in our clinic was mathematically modelled using surface points registered to the 3D co-ordinate space of the couch extension. The surface points are transformed based on the treatment isocenter point and potential collisions are determined in 3D space for couch and gantry angle combinations. The distance between the SRS conical collimators and LINAC isocenter is known. The collision detection model was programmed in MATLAB (Mathwork, Natick, MA) to display graphical plots of the calculations, and the plotted data is used to avoid the gantry and couch angle combinations that would likely result in a collision. We have utilized the cone collision tool for 23 SRS cone treatment plans (8 retrospective and 15 prospective for 10 patients). Results: Twenty one plans strongly agreed with the software tool prediction for collision. However, in two plans, a collision was observed with a 0.5 cm margin when the software predicted no collision. Therefore, additional margins were added to the clearance criteria in the program to achieve a lower risk of actual collisions. Conclusion: Our in-house developed collision check software successfully avoided SRS cone re-planning by 91.3% due to a reduction in cone collisions with the treatment table. Future developments to our software will include a CT image data set based collision prediction model as well as a beam angle optimization tool to avoid normal critical tissues as well as previously treated lesions.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

TH-AB-BRA-04: Dosimetric Evaluation of MR-Guided HDR Brachytherapy Planning for Cervical Cancer

Purpose: To perform a retrospective study on 16 patients that had both CT and T2-weighted MR scans done at first fraction using the Utrecht CT/MR applicator (Elekta Brachytherapy) in order to evaluate uncertainties associated with an MR-only planning workflow. Methods: MR-workflow uncertainties were classified in three categories: reconstruction, registration and contouring. A systematic comparison of the CT and MR contouring, manual reconstruction and optimization process was performed to evaluate the impact of these uncertainties on the recommended GEC ESTRO DVH parameters: D90% and V100% for HR-CTV as well as D2cc for bladder, rectum, sigmoid colon and small bowel. This comparison was done using the following four steps: 1. Catheter reconstruction done on MR images with original CT-plan contours and dwell times. 2. OAR contours adjusted on MR images with original CT-plan reconstruction and dwell times. 3. Both reconstruction and contours done on MR images with original CT-plan dwell times. 4. Entire MR-based workflow optimized dwell times reimported to the original CT-plan. Results: The MR-based reconstruction process showed average D2cc deviations of 4.5 ± 3.0%, 1.5 ± 2.0%, 2.5 ± 2.0% and 2.0 ± 1.0% for the bladder, rectum, sigmoid colon and small bowels respectively with a maximum of 10%, 6%, 6% and 4%. The HR-CTV’s D90% and V100% average deviations was found to be 4.0 ± 3.0%, and 2.0 ± 2.0% respectively with a maximum of 10% and 6%. Adjusting contours on MR-images was found to have a similar impact. Finally, the optimized MR-based workflow dwell times were found to still give acceptable plans when re-imported to the original CT-plan which validated the entire workflow. Conclusion: This work illustrates a systematic validation method for centers wanting to move towards an MR-only workflow. This work will be expanded to model based reconstruction, PD-weighted images and other types of applicators.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2015

WE-G-BRD-01: A Data-Driven 4D-MRI Motion Model to Estimate Full Field-Of-View Abdominal Motion From 2D Image Navigators During MR-Linac Treatment

Purpose: To estimate full field-of-view abdominal respiratory motion from fast 2D image navigators using a 4D-MRI based motion model. This will allow for radiation dose accumulation mapping during MR-Linac treatment. Methods: Experiments were conducted on a Philips Ingenia 1.5T MRI. First, a retrospectively ordered 4D-MRI was constructed using 3D transient-bSSFP with radial in-plane sampling. Motion fields were calculated through 3D non-rigid registration. From these motion fields a PCA-based abdominal motion model was constructed and used to warp a 3D reference volume to fast 2D cine-MR image navigators that can be used for real-time tracking. To test this procedure, a time-series consisting of two interleaved orthogonal slices (sagittal and coronal), positioned on the pancreas or kidneys, were acquired for 1m38s (dynamic scan-time=0.196ms), during normal, shallow, or deep breathing. The coronal slices were used to update the optimal weights for the first two PCA components, in order to warp the 3D reference image and construct a dynamic 4D-MRI time-series. The interleaved sagittal slices served as an independent measure to test the model’s accuracy and fit. Spatial maps of the root-mean-squared error (RMSE) and histograms of the motion differences within the pancreas and kidneys were used to evaluate the method. Results: Cranio-caudal motion was accurately calculated within the pancreas using the model for normal and shallow breathing with an RMSE of 1.6mm and 1.5mm and a histogram median and standard deviation below 0.2 and 1.7mm, respectively. For deep-breathing an underestimation of the inhale amplitude was observed (RMSE=4.1mm). Respiratory-induced antero-posterior and lateral motion were correctly mapped (RMSE=0.6/0.5mm). Kidney motion demonstrated good motion estimation with RMSE-values of 0.95 and 2.4mm for the right and left kidney, respectively. Conclusion: We have demonstrated a method that can calculate dynamic 3D abdominal motion in a large volume, while acquiring real-time cine-MR images for MR-guided radiotherapy.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

TU-FG-BRB-03: Basis Vector Model Based Method for Proton Stopping Power Estimation From Experimental Dual Energy CT Data

Purpose: This work aims at reducing the uncertainty in proton stopping power (SP) estimation by a novel combination of a linear, separable basis vector model (BVM) for stopping power calculation (Med Phys 43:600) and a statistical, model-based dual-energy CT (DECT) image reconstruction algorithm (TMI 35:685). The method was applied to experimental data. Methods: BVM assumes the photon attenuation coefficients, electron densities, and mean excitation energies (I-values) of unknown materials can be approximated by a combination of the corresponding quantities of two reference materials. The DECT projection data for a phantom with 5 different known materials was collected on a Philips Brilliance scanner using two scans at 90 kVp and 140 kVp. The line integral alternating minimization (LIAM) algorithm was used to recover the two BVM coefficient images using the measured source spectra. The proton stopping powers are then estimated from the Bethe-Bloch equation using electron densities and I-values derived from the BVM coefficients. The proton stopping powers and proton ranges for the phantom materials estimated via our BVM based DECT method are compared to ICRU reference values and a post-processing DECT analysis (Yang PMB 55:1343) applied to vendorreconstructed images using the Torikoshi parametric fit model (tPFM). Results: For the phantom materials, the average stopping power estimations for 175 MeV protons derived from our method are within 1% of the ICRU reference values (except for Teflon with a 1.48% error), with an average standard deviation of 0.46% over pixels. The resultant proton ranges agree with the reference values within 2 mm. Conclusion: Our principled DECT iterative reconstruction algorithm, incorporating optimal beam hardening and scatter corrections, in conjunction with a simple linear BVM model, achieves more accurate and robust proton stopping power maps than the post-processing, nonlinear tPFM based DECT analysis applied to conventional reconstructions of low and high energy scans. Funding Support: NIH R01CA 75371; NCI grant R01 CA 149305.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2014

Sci—Thur AM: YIS - 06: An EPID-based 3D patient dose verification method for SBRT-VMAT delivery

Purpose: Stereotactic body radiation therapy (SBRT) delivered via volumetric modulated arc therapy (VMAT) can strongly benefit from an in vivo patient dose verification due to the large doses per fraction. Electronic portal imaging devices (EPIDs) can be utilized as a patient dose dosimeter. In this work we present a physics-based model which utilizes on-treatment EPID images to reconstruct the dose delivered to an anthropomorphic phantom during SBRT-VMAT delivery. Methods: An SBRT linac beam was modeled using Monte Carlo methods and verified with measured data. Our dose reconstruction model back-projects EPID measured focal fluence upstream of the patient and adds a predicted extra-focal fluence component. This fluence is forward projected onto the patient's density matrix and convolved with dose kernels to calculate dose. The model was validated for two prostate, three lung, and two spine SBRT-VMAT treatments. Results were compared to the treatment planning system's calculation. Results: 2%/2 mm chi comparison calculations gave pass rates for the whole volume, infield, and high dose region respectively, and no lower than: 98%, 95%, 99% for the prostate plans, 99%, 92%, 85% for the lung plans, and 91%, 85%, 81% for the spine plans. A 3%/3mm calculation gave pass rates no lower than 99%, 94%, and 90% for all dose regions for the prostate, lung, and spine respectively. Conclusions: We have developed a physics-based model which calculates delivered dose to phantom (or patient) for SBRT-VMAT delivery using on treatment EPID images. The accuracy of the results has allowed us to test this model clinically.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2017

High-Fidelity Microstructural Characterization and Performance Modeling of Aluminized Composite Propellant

Image processing and stereological techniques were used to characterize the heterogeneity of composite propellant and inform a predictive burn rate model. Composite propellant samples made up of ammonium perchlorate (AP), hydroxyl-terminated polybutadiene (HTPB), and aluminum (Al) were faced with an ion mill and imaged with a scanning electron microscope (SEM) and x-ray tomography (micro-CT). Properties of both the bulk and individual components of the composite propellant were determined from a variety of image processing tools. An algebraic model, based on the improved Beckstead-Derr-Price model developed by Cohen and Strand, was used to predict the steady-state burning of the aluminized composite propellant. In the presented model the presence of aluminum particles within the propellant was introduced. The thermal effects of aluminum particles are accounted for at the solid-gas propellant surface interface and aluminum combustion is considered in the gas phase using a single global reaction. In conclusion, properties derived from image processing were used directly as model inputs, leading to a sample-specific predictive combustion model.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

A general framework of noise suppression in material decomposition for dual-energy CT

Purpose: As a general problem of dual-energy CT (DECT), noise amplification in material decomposition severely reduces the signal-to-noise ratio on the decomposed images compared to that on the original CT images. In this work, the authors propose a general framework of noise suppression in material decomposition for DECT. The method is based on an iterative algorithm recently developed in their group for image-domain decomposition of DECT, with an extension to include nonlinear decomposition models. The generalized framework of iterative DECT decomposition enables beam-hardening correction with simultaneous noise suppression, which improves the clinical benefits of DECT. Methods: The authors propose to suppress noise on the decomposed images of DECT using convex optimization, which is formulated in the form of least-squares estimation with smoothness regularization. Based on the design principles of a best linear unbiased estimator, the authors include the inverse of the estimated variance–covariance matrix of the decomposed images as the penalty weight in the least-squares term. Analytical formulas are derived to compute the variance–covariance matrix for decomposed images with general-form numerical or analytical decomposition. As a demonstration, the authors implement the proposed algorithm on phantom data using an empirical polynomial function of decomposition measured on a calibration scan. The polynomial coefficients are determined from the projection data acquired on a wedge phantom, and the signal decomposition is performed in the projection domain. Results: On the Catphan{sup ®}600 phantom, the proposed noise suppression method reduces the average noise standard deviation of basis material images by one to two orders of magnitude, with a superior performance on spatial resolution as shown in comparisons of line-pair images and modulation transfer function measurements. On the synthesized monoenergetic CT images, the noise standard deviation is reduced by a factor of 2–3. By using nonlinear decomposition on projections, the authors’ method effectively suppresses the streaking artifacts of beam hardening and obtains more uniform images than their previous approach based on a linear model. Similar performance of noise suppression is observed in the results of an anthropomorphic head phantom and a pediatric chest phantom generated by the proposed method. With beam-hardening correction enabled by their approach, the image spatial nonuniformity on the head phantom is reduced from around 10% on the original CT images to 4.9% on the synthesized monoenergetic CT image. On the pediatric chest phantom, their method suppresses image noise standard deviation by a factor of around 7.5, and compared with linear decomposition, it reduces the estimation error of electron densities from 33.3% to 8.6%. Conclusions: The authors propose a general framework of noise suppression in material decomposition for DECT. Phantom studies have shown the proposed method improves the image uniformity and the accuracy of electron density measurements by effective beam-hardening correction and reduces noise level without noticeable resolution loss.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2024

Programmable nanowrinkle-induced room-temperature exciton localization in monolayer WSe2

Abstract Localized states in two-dimensional (2D) transition metal dichalcogenides (TMDCs) have been the subject of intense study, driven by potential applications in quantum information science. Despite the rapidly growing knowledge surrounding these emitters, their microscopic nature is still not fully understood, limiting their production and application. Motivated by this challenge, and by recent theoretical and experimental evidence showing that nanowrinkles generate strain-localized room-temperature emitters, we demonstrate a method to intentionally induce wrinkles with collections of stressors, showing that long-range wrinkle direction and position are controllable with patterned array design. Nano-photoluminescence (nano-PL) imaging combined with detailed strain modeling based on measured wrinkle topography establishes a correlation between wrinkle properties, particularly shear strain, and localized exciton emission. Beyond the array-induced wrinkles, nano-PL spatial maps further reveal that the strain environment around individual stressors is heterogeneous due to the presence of fine wrinkles that are less deterministic. At cryogenic temperatures, antibunched emission is observed, confirming that the nanocone-induced strain is sufficiently large for the formation of quantum emitters. At 300 K, detailed nanoscale hyperspectral images uncover a wide range of low-energy emission peaks originating from the fine wrinkles, and show that the states can be tightly confined to regions <10 nm, even in ambient conditions. These results establish a promising potential route towards realizing room temperature quantum emission in 2D TMDC systems.

36 MATERIALS SCIENCE↗
DOE OSTI2014

SU-E-J-141: Comparison of Dose Calculation On Automatically Generated MRBased ED Maps and Corresponding Patient CT for Clinical Prostate EBRT Plans

Purpose: To analyze the effect of computing radiation dose on automatically generated MR-based simulated CT images compared to true patient CTs. Methods: Six prostate cancer patients received a regular planning CT for RT planning as well as a conventional 3D fast-field dual-echo scan on a Philips 3.0T Achieva, adding approximately 2 min of scan time to the clinical protocol. Simulated CTs (simCT) where synthesized by assigning known average CT values to the tissue classes air, water, fat, cortical and cancellous bone. For this, Dixon reconstruction of the nearly out-of-phase (echo 1) and in-phase images (echo 2) allowed for water and fat classification. Model based bone segmentation was performed on a combination of the DIXON images. A subsequent automatic threshold divides into cortical and cancellous bone. For validation, the simCT was registered to the true CT and clinical treatment plans were re-computed on the simCT in pinnacle{sup 3}. To differentiate effects related to the 5 tissue classes and changes in the patient anatomy not compensated by rigid registration, we also calculate the dose on a stratified CT, where HU values are sorted in to the same 5 tissue classes as the simCT. Results: Dose and volume parameters on PTV and risk organs as used for the clinical approval were compared. All deviations are below 1.1%, except the anal sphincter mean dose, which is at most 2.2%, but well below clinical acceptance threshold. Average deviations are below 0.4% for PTV and risk organs and 1.3% for the anal sphincter. The deviations of the stratifiedCT are in the same range as for the simCT. All plans would have passed clinical acceptance thresholds on the simulated CT images. Conclusion: This study demonstrated the clinical usability of MR based dose calculation with the presented Dixon acquisition and subsequent fully automatic image processing. N. Schadewaldt, H. Schulz, M. Helle and S. Renisch are employed by Phlips Technologie Innovative Techonologies, a subsidiary of Royal Philips NV.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2023

Machine-learning-based, online estimation of ceramic’s microstructure upon the laser spot brightness during laser sintering

The ceramic microstructure strongly influences its properties. During manufacturing, the online monitoring of microstructure is critical to ensure the desired material properties. So far, the microstructure on the relevant scale is usually characterized offline using scanning electron microscopy (SEM), which is time and cost-consuming. In this work, we demonstrate a cost-effective, machine learning (ML)-based approach to simulate the SEM micrographs in real-time from the laser spot brightness. We experimentally observed a strong correlation between the laser spot brightness and the corresponding microstructure at the exact locations. The brightness values obtained from thermal emission images and the corresponding SEM micrographs were used in the training datasets. The ML algorithm was a style-based conditional generative adversarial network (CGAN). After training, the ML model could generate high-fidelity microstructure images within 0.1 seconds based on in-situ captured brightness at the laser sintering spot. We used the average grain sizes as the metric to evaluate the accuracy of the ML-predicted micrographs. Here, the ML-predicted microstructures were in good agreement, with less than 5% in difference from the real SEM images. In conclusion, we demonstrate the cost-effective, online microstructure estimation during laser sintering with a simple setup (a camera, a regular computer, and the ML model).

08 HYDROGEN↗
NASA NTRS2003

Thermo-Mechanical Processing in Friction Stir Welds

Friction stir welding is a solid-phase joining, or welding process that was invented in 1991 at The Welding Institute (TWI). The process is potentially capable of joining a wide variety of aluminum alloys that are traditionally difficult to fusion weld. The friction stir welding (FSW) process produces welds by moving a non-consumable rotating pin tool along a seam between work pieces that are firmly clamped to an anvil. At the start of the process, the rotating pin is plunged into the material to a pre-determined load. The required heat is produced by a combination of frictional and deformation heating. The shape of the tool shoulder and supporting anvil promotes a high hydrostatic pressure along the joint line as the tool shears and literally stirs the metal together. To produce a defect free weld, process variables (RPM, transverse speed, and downward force) and tool pin design must be chosen carefully. An accurate model of the material flow during the process is necessary to guide process variable selection. At MSFC a plastic slip line model of the process has been synthesized based on macroscopic images of the resulting weld material. Although this model appears to have captured the main features of the process, material specific interactions are not understood. The objective of the present research was to develop a basic understanding of the evolution of the microstructure to be able to relate it to the deformation process variables of strain, strain rate, and temperature.

Schneider, Judy↗
DOE OSTI2021

Efficient ptychographic phase retrieval via a matrix-free Levenberg-Marquardt algorithm

The phase retrieval problem, where one aims to recover a complex-valued image from far-field intensity measurements, is a classic problem encountered in a range of imaging applications. Modern phase retrieval approaches usually rely on gradient descent methods in a nonlinear minimization framework. Calculating closed-form gradients for use in these methods is tedious work, and formulating second order derivatives is even more laborious. Additionally, second order techniques often require the storage and inversion of large matrices of partial derivatives, with memory requirements that can be prohibitive for data-rich imaging modalities. We use a reverse-mode automatic differentiation (AD) framework to implement an efficient matrix-free version of the Levenberg-Marquardt (LM) algorithm, a longstanding method that finds popular use in nonlinear least-square minimization problems but which has seen little use in phase retrieval. Furthermore, we extend the basic LM algorithm so that it can be applied for more general constrained optimization problems (including phase retrieval problems) beyond just the least-square applications. Since we use AD, we only need to specify the physics-based forward model for a specific imaging application; the first and second-order derivative terms are calculated automatically through matrix-vector products, without explicitly forming the large Jacobian or Gauss-Newton matrices typically required for the LM method. We demonstrate that this algorithm can be used to solve both the unconstrained ptychographic object retrieval problem and the constrained “blind” ptychographic object and probe retrieval problems, under the popular Gaussian noise model as well as the Poisson noise model. We compare this algorithm to state-of-the-art first order ptychographic reconstruction methods to demonstrate empirically that this method outperforms best-in-class first-order methods: it provides excellent convergence guarantees with (in many cases) a superlinear rate of convergence, all with a computational cost comparable to, or lower than, the tested first-order algorithms.

36 MATERIALS SCIENCE↗
DOE OSTI2011

A general framework and review of scatter correction methods in cone beam CT. Part 2: Scatter estimation approaches

The main components of scatter correction procedures are scatter estimation and a scatter compensation algorithm. This paper completes a previous paper where a general framework for scatter compensation was presented under the prerequisite that a scatter estimation method is already available. In the current paper, the authors give a systematic review of the variety of scatter estimation approaches. Scatter estimation methods are based on measurements, mathematical-physical models, or combinations of both. For completeness they present an overview of measurement-based methods, but the main topic is the theoretically more demanding models, as analytical, Monte-Carlo, and hybrid models. Further classifications are 3D image-based and 2D projection-based approaches. The authors present a system-theoretic framework, which allows to proceed top-down from a general 3D formulation, by successive approximations, to efficient 2D approaches. A widely useful method is the beam-scatter-kernel superposition approach. Together with the review of standard methods, the authors discuss their limitations and how to take into account the issues of object dependency, spatial variance, deformation of scatter kernels, external and internal absorbers. Open questions for further investigations are indicated. Finally, the authors refer on some special issues and applications, such as bow-tie filter, offset detector, truncated data, and dual-source CT.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2025

Active Learning Surrogates for Integrating Electron Microscopy and Computational Insights from Simulations in Autonomous Experiments

Artificial Intelligence (AI) combined with simulations and experiments has great potential to accelerate scientific discovery across technology and pharmaceuticals. However, the gap between simulations and experiments is challenging due to disparities in time and scale, making it difficult to estimate properties like energy and electronic states from experiments, and to provide feedback based on theoretical insights.Our research addresses the challenge by developing unique deep kernel based surrogate models that learns from microscopic images, mapping structural features to energy differences from defect formation. We start with full-training using simulated images to determine optimal settings, establishing a baseline for active learning. Using these settings from the baseline, active learning is trained, and predicts structures along simulation trajectories based on uncertainty and energetic stability, thus reducing data requirements, simulation time and computational costs. The results demonstrate that the model achieves a low average error margin of approximately 0.03 meV, indicating good performance. To enhance feature extraction and reconstruction capabilities, we developed an autoencoder-decoder as additional surrogate to create latent space to capture essential features, enabling precise comparisons between simulations and experiments. The results from this model achieved a reconstruction loss of around 0.2 and accurately reconstructed molecular structures.Overall, this work advances the steering of experiments through computational simulations by employing a surrogate models that actively predicts the trajectories of structural evolution, achieving time-to-solution comparable to experimental measurements.

Saranathan, Gayathri [Hewlett-Packard]↗