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All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

WE-G-207-07: Iterative CT Shading Correction Method with No Prior Information

Purpose: Shading artifacts are caused by scatter contamination, beam hardening effects and other non-ideal imaging condition. Our Purpose is to propose a novel and general correction framework to eliminate low-frequency shading artifacts in CT imaging (e.g., cone-beam CT, low-kVp CT) without relying on prior information. Methods: Our method applies general knowledge of the relatively uniform CT number distribution in one tissue component. Image segmentation is applied to construct template image where each structure is filled with the same CT number of that specific tissue. By subtracting the ideal template from CT image, the residual from various error sources are generated. Since the forward projection is an integration process, the non-continuous low-frequency shading artifacts in the image become continuous and low-frequency signals in the line integral. Residual image is thus forward projected and its line integral is filtered using Savitzky-Golay filter to estimate the error. A compensation map is reconstructed on the error using standard FDK algorithm and added to the original image to obtain the shading corrected one. Since the segmentation is not accurate on shaded CT image, the proposed scheme is iterated until the variation of residual image is minimized. Results: The proposed method is evaluated on a Catphan600 phantom, a pelvic patient and a CT angiography scan for carotid artery assessment. Compared to the one without correction, our method reduces the overall CT number error from >200 HU to be <35 HU and increases the spatial uniformity by a factor of 1.4. Conclusion: We propose an effective iterative algorithm for shading correction in CT imaging. Being different from existing algorithms, our method is only assisted by general anatomical and physical information in CT imaging without relying on prior knowledge. Our method is thus practical and attractive as a general solution to CT shading correction. This work is supported by the National Science Foundation of China (NSFC Grant No. 81201091), National High Technology Research and Development Program of China (863 program, Grant No. 2015AA020917), and Fund Project for Excellent Abroad Scholar Personnel in Science and Technology.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2020

Self-interaction error overbinds water clusters but cancels in structural energy differences

Here, we gauge the importance of self-interaction errors in density functional approximations (DFAs) for the case of water clusters. To this end, we used the Fermi–Löwdin orbital self-interaction correction method (FLOSIC) to calculate the binding energy of clusters of up to eight water molecules. Three representative DFAs of the local, generalized gradient, and metageneralized gradient families [i.e., local density approximation (LDA), Perdew–Burke–Ernzerhof (PBE), and strongly constrained and appropriately normed (SCAN)] were used. We find that the overbinding of the water clusters in these approximations is not a density-driven error. We show that, while removing self-interaction error does not alter the energetic ordering of the different water isomers with respect to the uncorrected DFAs, the resulting binding energies are corrected toward accurate reference values from higher-level calculations. In particular, self-interaction–corrected SCAN not only retains the correct energetic ordering for water hexamers but also reduces the mean error in the hexamer binding energies to less than 14 meV/ H 2 O from about 42 meV/ H 2 O for SCAN. By decomposing the total binding energy into many-body components, we find that large errors in the two-body interaction in SCAN are significantly reduced by self-interaction corrections. Higher-order many-body errors are small in both SCAN and self-interaction–corrected SCAN. These findings suggest that orbital-by-orbital removal of self-interaction combined with a proper DFA can lead to improved descriptions of water complexes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Uniformly decaying subspaces for error-mitigated quantum computation

Here, we present a general condition to obtain subspaces that decay uniformly in a system governed by the Lindblad master equation and use them to perform error-mitigated quantum computation. The expectation values of dynamics encoded in such subspaces are unbiased estimators of noise-free expectation values. In analogy to the decoherence free subspaces which are left invariant by the action of Lindblad operators, we show that the uniformly decaying subspaces are left invariant (up to orthogonal terms) by the action of the dissipative part of the Lindblad equation. We apply our theory to a system of qubits and qudits undergoing relaxation with varying decay rates and show that such subspaces can be used to eliminate bias up to first-order variations in the decay rates without requiring full knowledge of noise. Since such a bias cannot be corrected through standard symmetry verification, our method can improve error mitigation in dual-rail qubits and, given partial knowledge of noise, can perform better than probabilistic error cancellation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

SU-E-T-477: An Efficient Dose Correction Algorithm Accounting for Tissue Heterogeneities in LDR Brachytherapy

Purpose: Seed brachytherapy is currently used for adjuvant radiotherapy of early stage prostate and breast cancer patients. The current standard for calculation of dose surrounding the brachytherapy seeds is based on American Association of Physicist in Medicine Task Group No. 43 (TG-43 formalism) which generates the dose in homogeneous water medium. Recently, AAPM Task Group No. 186 emphasized the importance of accounting for tissue heterogeneities. This can be done using Monte Carlo (MC) methods, but it requires knowing the source structure and tissue atomic composition accurately. In this work we describe an efficient analytical dose inhomogeneity correction algorithm implemented using MIM Symphony treatment planning platform to calculate dose distributions in heterogeneous media. Methods: An Inhomogeneity Correction Factor (ICF) is introduced as the ratio of absorbed dose in tissue to that in water medium. ICF is a function of tissue properties and independent of source structure. The ICF is extracted using CT images and the absorbed dose in tissue can then be calculated by multiplying the dose as calculated by the TG-43 formalism times ICF. To evaluate the methodology, we compared our results with Monte Carlo simulations as well as experiments in phantoms with known density and atomic compositions. Results: The dose distributions obtained through applying ICF to TG-43 protocol agreed very well with those of Monte Carlo simulations as well as experiments in all phantoms. In all cases, the mean relative error was reduced by at least 50% when ICF correction factor was applied to the TG-43 protocol. Conclusion: We have developed a new analytical dose calculation method which enables personalized dose calculations in heterogeneous media. The advantages over stochastic methods are computational efficiency and the ease of integration into clinical setting as detailed source structure and tissue segmentation are not needed. University of Toronto, Natural Sciences and Engineering Research Council of Canada.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2014

Calculated and Measured Dose Distributions in an Anthropomorphic RANDO Phantom - Paper 105

Patient-specific quality assurance (QA) is a major component of the Intensity Modulated Radiation Therapy (IMRT) clinical process. The objective of this often time-intensive measurement process is to verify that the prescribed dose is accurately delivered to the target volume while sparing surrounding healthy tissue. The IMRT dose distributions can be measured using a wide variety of techniques and measurement devices including film (radiographic and radiochromic), ion chamber arrays, diode arrays, and Electronic Portal Imaging Devices (EPIDs). Of all the available modalities, film is one of the most versatile and most frequently utilized measurement systems. In rotation delivery techniques (such as volume modulated arc therapy and helical tomotherapy), composite dose distributions are obtained by irradiating a test phantom containing dosimeter(s). When film is utilized as the dosimeter, it can be placed in coronal, sagittal, or transverse planes inside the phantom. Because the film is irradiated using the rotational delivery sequence used to treat the patient, the dose given to specific anatomical structures (such as the parotids, spinal cord, bladder, rectum etc...) can be evaluated. Thomas et al (Med Phys 32: 3793-3800) recently reported the results of IMRT verifications for ten patients planned and treated with helical tomotherapy. This study reported that nearly 92% of the film pixels within the analyzed region of interest were within a gamma criterion of 2 mm and 2%. Like most tomotherapy users, Thomas et al used a test phantom made of homogeneous water equivalent material. Heterogeneous phantoms that simulate the different tissue densities in the human body do exist, but are infrequently used for patient-specific IMRT QA. The potential advantage of using heterogeneous phantoms is that the measured dose distributions will more adequately reflect the clinical dose distributions in the patients. The use of homogenous phantoms during IMRT quality assurance can potentially mask errors that arise from limitations in the treatment planning system's modeling of density corrections. The purpose of this study was to evaluate the dosimetric accuracy of a helical tomotherapy system using an anthropomorphic RANDO phantom (The Phantom Laboratory, Salem, NY) for patient-specific QA. The results of this study will allow a benchmark to be established for dosimetric accuracy in heterogeneous materials. Performing patient-specific QA is an integral part of the IMRT patient treatment process. Test phantoms are typically homogeneous, and do test the treatment planning systems ability to account for heterogeneity corrections. In this study, an anthropomorphic RANDO phantom was used to evaluate the doses calculated by a helical tomotherapy system. The dosimetric agreement between calculated and measured was worse than published results in homogenous phantoms, especially for target volumes located in the lung. Further investigation will be needed to determine if these errors are due to film response at heterogeneous tissue interfaces or from actual dose calculation errors. (authors)

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2016

Understanding the many-body expansion for large systems. II. Accuracy considerations

To complement our study of the role of finite precision in electronic structure calculations based on a truncated many-body expansion (MBE, or “n-body expansion”), we examine the accuracy of such methods in the present work. Accuracy may be defined either with respect to a supersystem calculation computed at the same level of theory as the n-body calculations, or alternatively with respect to high-quality benchmarks. Both metrics are considered here. In applications to a sequence of water clusters, (H{sub 2}O){sub N=6−55} described at the B3LYP/cc-pVDZ level, we obtain mean absolute errors (MAEs) per H{sub 2}O monomer of ∼1.0 kcal/mol for two-body expansions, where the benchmark is a B3LYP/cc-pVDZ calculation on the entire cluster. Three- and four-body expansions exhibit MAEs of 0.5 and 0.1 kcal/mol/monomer, respectively, without resort to charge embedding. A generalized many-body expansion truncated at two-body terms [GMBE(2)], using 3–4 H{sub 2}O molecules per fragment, outperforms all of these methods and affords a MAE of ∼0.02 kcal/mol/monomer, also without charge embedding. GMBE(2) requires significantly fewer (although somewhat larger) subsystem calculations as compared to MBE(4), reducing problems associated with floating-point roundoff errors. When compared to high-quality benchmarks, we find that error cancellation often plays a critical role in the success of MBE(n) calculations, even at the four-body level, as basis-set superposition error can compensate for higher-order polarization interactions. A many-body counterpoise correction is introduced for the GMBE, and its two-body truncation [GMBCP(2)] is found to afford good results without error cancellation. Together with a method such as ωB97X-V/aug-cc-pVTZ that can describe both covalent and non-covalent interactions, the GMBE(2)+GMBCP(2) approach provides an accurate, stable, and tractable approach for large systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Correction to: Superconductor Electronics: Status and Outlook

The original version of the article unfortunately contained errors. The acronyms for conventional Josephson voltage standard (CJVS) and programmable Josephson voltage standard (PJVS) were misspelled as CVJC, PJVC and PVJC.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Establishing precision and accuracy in PDV results

We need to know uncertainties and systematic errors because we create and compare against archival weapons data, we constrain the models, and we provide scientific results. Good estimates of precision from the data record are available and should be incorporated into existing results; reanalysis of valuable data is suggested. Estimates of systematic errors are largely absent. The original work by Jensen et al. using gun shots for window corrections, and the integrated velocity comparison with X-rays by Schultz are two examples where any systematic errors appear to be <1% level.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
DOE OSTI2016

Angle-dependent strong-field molecular ionization rates with tuned range-separated time-dependent density functional theory

Strong-field ionization and the resulting electronic dynamics are important for a range of processes such as high harmonic generation, photodamage, charge resonance enhanced ionization, and ionization-triggered charge migration. Modeling ionization dynamics in molecular systems from first-principles can be challenging due to the large spatial extent of the wavefunction which stresses the accuracy of basis sets, and the intense fields which require non-perturbative time-dependent electronic structure methods. In this paper, we develop a time-dependent density functional theory approach which uses a Gaussian-type orbital (GTO) basis set to capture strong-field ionization rates and dynamics in atoms and small molecules. This involves propagating the electronic density matrix in time with a time-dependent laser potential and a spatial non-Hermitian complex absorbing potential which is projected onto an atom-centered basis set to remove ionized charge from the simulation. For the density functional theory (DFT) functional we use a tuned range-separated functional LC-PBE*, which has the correct asymptotic 1/r form of the potential and a reduced delocalization error compared to traditional DFT functionals. Ionization rates are computed for hydrogen, molecular nitrogen, and iodoacetylene under various field frequencies, intensities, and polarizations (angle-dependent ionization), and the results are shown to quantitatively agree with time-dependent Schrödinger equation and strong-field approximation calculations. This tuned DFT with GTO method opens the door to predictive all-electron time-dependent density functional theory simulations of ionization and ionization-triggered dynamics in molecular systems using tuned range-separated hybrid functionals.

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

Hard X-ray nanofocusing using adaptive focusing optics based on piezoelectric deformable mirrors

An adaptive Kirkpatrick–Baez mirror focusing optics based on piezoelectric deformable mirrors was constructed at SPring-8 and its focusing performance characteristics were demonstrated. By adjusting the voltages applied to the deformable mirrors, the shape errors (compared to a target elliptical shape) were finely corrected on the basis of the mirror shape determined using the pencil-beam method, which is a type of at-wavelength figure metrology in the X-ray region. The mirror shapes were controlled with a peak-to-valley height accuracy of 2.5 nm. A focused beam with an intensity profile having a full width at half maximum of 110 × 65 nm (V × H) was achieved at an X-ray energy of 10 keV.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2016

WE-AB-209-01: A Monte Carlo-Based Method to Include Random Errors in Robust Optimization

Purpose: To develop an efficient method to implement random set-up errors and organ motion in robust optimization for proton therapy treatment planning. Methods: The plans were created with an in-house robust optimizer, coupled with a super-fast Monte Carlo (MC) engine (less than 1 minute for final dose). MC simulates random errors by shifting randomly the starting point of each particle, according to their probability distribution. Such strategy assumes a sufficient number of treatment fractions. Two strategies are presented: 1) Full robust optimization with beamlets that already include the effect of random errors and 2) Mixed robust optimization, where the nominal beamlets are involved but a correction term C modifies the prescription. Starting from C=0, the method alternates optimization of the spot weights with the nominal beamlets and updates of C, with C=Drandom-Dnominal and where Drandom results from a regular MC computation (without pre-computed beamlets) that simulates random errors. Updates of C can be triggered as often as necessary by running the MC engine with the last corrected values for the spot weights as input. The method was applied to lung and prostate cases. For both patients the range error was set to 3%, systematic setup error to 5mm and standard deviation for random errors to 5 mm. Comparison between full robust optimization and the mixed strategy (with 3 updates of C) is presented. Results: Target coverage was far below the clinical constraints (D{sub 95} > 95% of the prescribed dose) for plans where random errors were not simulated, especially for lung case. However, by using the proposed strategies the plans achieved a target coverage above clinical constraints. Conclusion: Full robust optimization gives better results than the mixed strategy, but the latter can be useful in cases where a MC engine is not available or too computationally intensive for beamlets calculation.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2019

How Well Do We Know Neutrino-Electron Scattering? EFT Approach

We determine the effective theory of neutrino-electron and neutrino-quark scattering and provide the most precise up-to-date prediction for neutrino-electron scattering cross sections quantifying errors for the first time to be of order $0.2-0.4~\%$. Radiative corrections in the theory with electron and neutrinos only involve three effective couplings. One is the Fermi constant which is known with sub-ppm accuracy. Another one has a small error of order $0.02~\%$. The uncertainty of the third one is limited by the knowledge of hadronic contributions to charge-isospin vector-vector correlation function.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2014

Validation of deformable image registration algorithms on CT images of ex vivo porcine bladders with fiducial markers

Purpose: The spatial accuracy of deformable image registration (DIR) is important in the implementation of image guided adaptive radiotherapy techniques for cancer in the pelvic region. Validation of algorithms is best performed on phantoms with fiducial markers undergoing controlled large deformations. Excised porcine bladders, exhibiting similar filling and voiding behavior as human bladders, provide such an environment. The aim of this study was to determine the spatial accuracy of different DIR algorithms on CT images ofex vivo porcine bladders with radiopaque fiducial markers applied to the outer surface, for a range of bladder volumes, using various accuracy metrics. Methods: Five excised porcine bladders with a grid of 30–40 radiopaque fiducial markers attached to the outer wall were suspended inside a water-filled phantom. The bladder was filled with a controlled amount of water with added contrast medium for a range of filling volumes (100–400 ml in steps of 50 ml) using a luer lock syringe, and CT scans were acquired at each filling volume. DIR was performed for each data set, with the 100 ml bladder as the reference image. Six intensity-based algorithms (optical flow or demons-based) implemented in theMATLAB platform DIRART, a b-spline algorithm implemented in the commercial software package VelocityAI, and a structure-based algorithm (Symmetric Thin Plate Spline Robust Point Matching) were validated, using adequate parameter settings according to values previously published. The resulting deformation vector field from each registration was applied to the contoured bladder structures and to the marker coordinates for spatial error calculation. The quality of the algorithms was assessed by comparing the different error metrics across the different algorithms, and by comparing the effect of deformation magnitude (bladder volume difference) per algorithm, using the Independent Samples Kruskal-Wallis test. Results: The authors found good structure accuracy without dependency on bladder volume difference for all but one algorithm, and with the best result for the structure-based algorithm. Spatial accuracy as assessed from marker errors was disappointing for all algorithms, especially for large volume differences, implying that the deformations described by the registration did not represent anatomically correct deformations. The structure-based algorithm performed the best in terms of marker error for the large volume difference (100–400 ml). In general, for the small volume difference (100–150 ml) the algorithms performed relatively similarly. The structure-based algorithm exhibited the best balance in performance between small and large volume differences, and among the intensity-based algorithms, the algorithm implemented in VelocityAI exhibited the best balance. Conclusions: Validation of multiple DIR algorithms on a novel physiological bladder phantom revealed that the structure accuracy was good for most algorithms, but that the spatial accuracy as assessed from markers was low for all algorithms, especially for large deformations. Hence, many of the available algorithms exhibit sufficient accuracy for contour propagation purposes, but possibly not for accurate dose accumulation.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2014

Thresholds of surface codes on the general lattice structures suffering biased error and loss

A family of surface codes with general lattice structures is proposed. We can control the error tolerances against bit and phase errors asymmetrically by changing the underlying lattice geometries. The surface codes on various lattices are found to be efficient in the sense that their threshold values universally approach the quantum Gilbert-Varshamov bound. We find that the error tolerance of the surface codes depends on the connectivity of the underlying lattices; the error chains on a lattice of lower connectivity are easier to correct. On the other hand, the loss tolerance of the surface codes exhibits an opposite behavior; the logical information on a lattice of higher connectivity has more robustness against qubit loss. As a result, we come upon a fundamental trade-off between error and loss tolerances in the family of surface codes with different lattice geometries.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Accurate shear measurement with faint sources

For cosmic shear to become an accurate cosmological probe, systematic errors in the shear measurement method must be unambiguously identified and corrected for. Previous work of this series has demonstrated that cosmic shears can be measured accurately in Fourier space in the presence of background noise and finite pixel size, without assumptions on the morphologies of galaxy and PSF. The remaining major source of error is source Poisson noise, due to the finiteness of source photon number. This problem is particularly important for faint galaxies in space-based weak lensing measurements, and for ground-based images of short exposure times. In this work, we propose a simple and rigorous way of removing the shear bias from the source Poisson noise. Our noise treatment can be generalized for images made of multiple exposures through MultiDrizzle. This is demonstrated with the SDSS and COSMOS/ACS data. With a large ensemble of mock galaxy images of unrestricted morphologies, we show that our shear measurement method can achieve sub-percent level accuracy even for images of signal-to-noise ratio less than 5 in general, making it the most promising technique for cosmic shear measurement in the ongoing and upcoming large scale galaxy surveys.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

TH-A-BRF-01: A Probabilistic Bayesian Approach to Derive Electron Density From MRI for Radiation Therapy Treatment Planning

Purpose: MRI significantly improves the accuracy and reliability of target delineation for patient simulation and treatment planning in radiation therapy, due to its superior soft tissue contrast as compared to CT. An MRI based simulation will reduce cost and simplify clinical workflow with zero ionizing radiation. However, MRI lacks the key electron density information. The purpose of this work is to develop a reliable method to derive electron density from MRI. Methods: We adopt a probabilistic Bayesian approach for electron density mapping based on T1-weighted head MRI. For each voxel, we compute conditional probability of electron densities given its: (1) T1 intensity and (2) geometry in a reference anatomy, obtained by deformable image registration between the MRI of test patient and atlas. Intensity and geometry information are combined into a unifying posterior probability density function whose mean gives the electron density. Mean absolute HU error between the estimated and true CT, as well as ROC's for bone detection (HU>200) were calculated for 8 patients. The performance was compared with a global intensity approach based on T1 and no density correction (set whole head to water). Results: The proposed technique significantly reduced the errors in electron density estimation, with a mean absolute HU error of 132, compared with 139 for deformable registration (p=10{sup −3}), 371 for the intensity approach (p=10{sup −5}) and 282 without density correction (p=2×10{sup −4}). For 90% sensitivity in bone detection, the proposed method had a specificity of 85% and that for deformable registration, intensity and without density correction are 80%, 24% and 10% respectively. Conclusion: The proposed unifying method provides accurate electron density estimation and bone detection from MRI of the head with highly heterogeneous regions. This paves the way for accurate dose calculation and generating reference images for patient setup in MRI-based treatment planning.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2017

Investigation of a Quantum Monte Carlo Protocol To Achieve High Accuracy and High-Throughput Materials Formation Energies

High-throughput calculations based on density functional theory (DFT) methods have been widely implemented in the scientific community. However, depending on both the properties of interest as well as particular chemical/structural phase space, accuracy even for correct trends remains a key challenge for DFT. In this work, we evaluate the use of quantum Monte Carlo (QMC) to calculate material formation energies in a high-throughput environment. We test the performance of automated QMC calculations on 21 compounds with high quality reference data from the Committee on Data for Science and Technology (CODATA) thermodynamic database. We compare our approach to different DFT methods as well as different pseudopotentials, showing that errors in QMC calculations can be progressively improved especially when correct pseudopotentials are used. We determine a set of accurate pseudopotentials in QMC via a systematic investigation of multiple available pseudopotential libraries. We show that using this simple automated recipe, QMC calculations can outperform DFT calculations over a wide set of materials. Out of 21 compounds tested, chemical accuracy has been obtained in formation energies of 11 structures using our QMC recipe, compared to none using DFT calculations.

Chemistry↗