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At least 811 records · Page 45

A method of surface marker location optimization for tumor motion estimation in lung stereotactic body radiation therapy

Purpose: Accurately localizing lung tumor localization is essential for high-precision radiation therapy techniques such as stereotactic body radiation therapy (SBRT). Since direct monitoring of tumor motion is not always achievable due to the limitation of imaging modalities for treatment guidance, placement of fiducial markers on the patient’s body surface to act as a surrogate for tumor position prediction is a practical alternative for tracking lung tumor motion during SBRT treatments. In this work, the authors propose an innovative and robust model to solve the multimarker position optimization problem. The model is able to overcome the major drawbacks of the sparse optimization approach (SOA) model. Methods: The principle-component-analysis (PCA) method was employed as the framework to build the authors’ statistical prediction model. The method can be divided into two stages. The first stage is to build the surrogate tumor matrix and calculate its eigenvalues and associated eigenvectors. The second stage is to determine the “best represented” columns of the eigenvector matrix obtained from stage one and subsequently acquire the optimal marker positions as well as numbers. Using 4-dimensional CT (4DCT) and breath hold CT imaging data, the PCA method was compared to the SOA method with respect to calculation time, average prediction accuracy, prediction stability, noise resistance, marker position consistency, and marker distribution. Results: The PCA and SOA methods which were both tested were on all 11 patients for a total of 130 cases including 4DCT and breath-hold CT scenarios. The maximum calculation time for the PCA method was less than 1 s with 64 752 surface points, whereas the average calculation time for the SOA method was over 12 min with 400 surface points. Overall, the tumor center position prediction errors were comparable between the two methods, and all were less than 1.5 mm. However, for the extreme scenarios (breath hold), the prediction errors for the PCA method were not only smaller, but were also more stable than for the SOA method. Results obtained by imposing a series of random noises to the surrogates indicated that the PCA method was much more noise resistant than the SOA method. The marker position consistency tests using various combinations of 4DCT phases to construct the surrogates suggested that the marker position predictions of the PCA method were more consistent than those of the SOA method, in spite of surrogate construction. Marker distribution tests indicated that greater than 80% of the calculated marker positions fell into the high cross correlation and high motion magnitude regions for both of the algorithms. Conclusions: The PCA model is an accurate, efficient, robust, and practical model for solving the multimarker position optimization problem to predict lung tumor motion during SBRT treatments. Due to its generality, PCA model can also be applied to other imaging guidance system whichever using surface motion as the surrogates.

60 APPLIED LIFE SCIENCES↗

Assimilating partial observation to enhance feedback control of stochastic dynamical systems

Here, in this paper, we present a novel methodology to tackle feedback optimal control problems in scenarios where the exact state of the controlled process is unknown. It integrates data assimilation techniques and optimal control solvers to manage partial observation of the state process, a common occurrence in practical scenarios. Traditional stochastic optimal control methods assume full state observation, which is often not feasible in real-world fluid dynamics control problems. Our approach underscores the significance of utilizing observational data to inform control policy design. Specifically, we introduce a kernel learning backward stochastic differential equation (SDE) filter to enhance data assimilation efficiency and propose a sample-wise stochastic optimization method within the stochastic maximum principle framework. We demonstrate the efficacy and accuracy of our method in the control of advection-diffusion-reaction flow problem and the Dubins airplane maneuvering problem with model uncertainty.

data driven↗

SU-F-T-592: A Delivery QA-Free Approach for Adaptive Therapy of Prostate Cancer with Static Intensity Modulated Radiotherapy

Purpose: Clinical implementations of adaptive radiotherapy (ART) are limited mainly by the requirement of delivery QA (DQA) prior to the treatment. Small segment size and small segment MU are two dominant factors causing failures of DQA. The aim of this project is to explore the feasibility of ART treatment without DQA by using a partial optimization approach. Methods: A retrospective simulation study was performed on two prostate cancer patients treated with SMLC-IMRT. The prescription was 180cGx25 fractions with daily CT-on-rail imaging for target alignment. For each patient, seven daily CTs were selected randomly across treatment course. The contours were deformablely transferred from the simulation CT onto the daily CTs and modified appropriately. For each selected treatment, dose distributions from original beams were calculated on the daily treatment CTs (DCT plan). An ART plan was also created by optimizing the segmental MU only, while the segment shapes were preserved and the minimum MU constraint was respected. The overlaps, between PTV and the rectum, between PTV and the bladder, were normalized by the PTV volume. This ratio was used to characterize the difficulty of organs-at-risk (OAR) sparing. Results: Comparing to the original plan, PTV coverage was compromised significantly in DCT plans (82% ± 7%) while all ART plans preserved PTV coverage. ART plans showed similar OAR sparing as the original plan, such as V40Gy=11.2cc (ART) vs 11.4cc (original) for the rectum and D10cc=4580cGy vs 4605cGy for the bladder. The sparing of the rectum/bladder depends on overlap ratios. The sparing in ART was either similar or improved when overlap ratios in treatment CTs were smaller than those in original plan. Conclusion: A partial optimization method is developed that may make the real-time ART feasible on selected patients. Future research is warranted to quantify the applicability of the proposed method.

60 APPLIED LIFE SCIENCES↗

An Unobstructive Sensing Method for Indoor Air Quality Optimization and Metabolic Assessment within Vehicles

This work investigates the use of an intelligent and unobstructive sensing technique for maintaining vehicle cabin’s indoor air quality while simultaneously assessing the driver metabolic rate. CO 2 accumulation patterns are of great interest because CO 2 can have negative cognitive effects at higher concentrations and also since CO 2 accumulation rate can potentially be used to determine a person’s metabolic rate. The management of the vehicle’s ventilation system was controlled by periodically alternating the air recirculation mode within the cabin, which was actuated based on the CO 2 levels inside the vehicle’s cabin. The CO 2 accumulation periods were used to assess the driver’s metabolic rate, using a model that considered the vehicle’s air exchange rate. In the process of the method optimization, it was found that the vehicle’s air exchange rate (λ [h –1 ]) depends on the vehicle speeds, following the relationship: λ = 0.060 × (speed) – 0.88 when driving faster than 17 MPH. An accuracy level of 95% was found between the new method to assess the driver’s metabolic rate (1620 ± 140 kcal/day) and the reference method of indirect calorimetry (1550 ± 150 kcal/day) for a total of N = 16 metabolic assessments at various vehicle speeds. The new sensing method represents a novel approach for unobstructive assessment of driver metabolic rate while maintaining indoor air quality within the vehicle cabin.

passive sensing↗

Structure-aware methods for expensive derivative-free nonsmooth composite optimization

We present new methods for solving a broad class of bound-constrained nonsmooth composite minimization problems. These methods are specially designed for objectives that are some known mapping of outputs from a computationally expensive function. We provide accompanying implementations of these methods: in particular, a novel manifold sampling algorithm (MS-P) with subproblems that are in a sense primal versions of the dual problems solved by previous manifold sampling methods and a method (GOOMBAH) that employs more difficult optimization subproblems. For these two methods, we provide rigorous convergence analysis and guarantees. We demonstrate extensive testing of these methods. Open-source implementations of the methods developed in this manuscript can be found at https://github.com/POptUS/ IBCDFO/.

97 MATHEMATICS AND COMPUTING↗

Method of Correlation Coefficient Optimization Used in UV-vis Spectrophotometric Analysis for Effluent in Catalytic Ozonation

A wavelength selection method for spectrophotometric analysis, named correlation coefficient optimization (CCO), was employed for reagent-free analysis of organics (humic acid) in real sewage. The modeling set of CCO uses the effluent in the ozonation process of humic acid (HA) solution. In order to verify the relationship between HA concentration and absorbance at the selected wavelength, HA solutions with different mass concentrations were prepared as a validation set. The study showed that the absorbance at 300 nm could be a good quantitative indication of HA concentration. In addition, the absorbance at 300 nm was applied to analyze the HA concentration in the ozonation process. The decomposition of HA fits the pseudo-first-order kinetic model and has a linear relationship with pH and (T – 20){sup 2} (T is reaction temperature).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Analysis of persistent contaminants and personal care products by dispersive liquid-liquid microextraction using hydrophobic magnetic deep eutectic solvents

Here, in this work, hydrophobic magnetic deep eutectic solvents (HMDESs) were used in the development of a simple and rapid dispersive liquid-liquid microextraction (DLLME) approach coupled to high performance liquid chromatography with UV detection (HPLC-UV) for the determination of ten organic contaminants including five polycyclic aromatic hydrocarbons, four UV filters, and a pesticide from water at trace levels. The HMDESs were prepared by mixing a hydrogen bond acceptor, metal halide salt, and hydrogen bond donor in suitable molar ratios. Two HMDESs, 2 tetraoctylammonium bromide ([N 8888 + ][Br - ]): cobalt chloride (CoCl 2 ): 4 octanoic acid (OA) and 3 trioctylphosphine oxide (TOPO): neodymium chloride (NdCl 3 ): 3 OA, offered the highest analyte extraction efficiency overall and were chosen as suitable solvents for validation of the microextraction method. Under optimized extraction conditions, the method required 30 µL of HMDES as extraction solvent, acetone (87.5 µL) as disperser solvent, a NaCl concentration of 30% (w/v), and an extraction time of 120 s at 20°C. Enrichment factors of the analytes ranged from 44.6 for 3-(4-methylbenzylindene) camphor to 66.0 for 2-ethylhexyl-4-(dimethyl)aminobenzoate. The method provided low limits of detection (LODs) ranging from 0.5 to 4.5 µg L -1 , and acceptable precision, with RSD values lower than 9.6%. Furthermore, the validated method was successfully applied for tap and lake water analysis, resulting in relative recoveries of spiked samples ranging between 94.7 and 119.2%.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Data-driven chaos indicator for nonlinear dynamics and applications on storage ring lattice design

A data-driven chaos indicator concept is introduced to characterize the degree of chaos for nonlinear dynamical systems. The indicator is represented by the prediction accuracy of surrogate models established purely from data. It provides a metric for the predictability of nonlinear motions in a given system. When using the indicator to implement a tune-scan for a quadratic Hénon map, the main resonances and their asymmetric stop-band widths can be identified. When applied to particle transportation in a storage ring, as particle motion becomes more chaotic, its surrogate model prediction accuracy decreases correspondingly. So, the prediction accuracy, acting as a chaos indicator, can be used directly as the objective for nonlinear beam dynamics optimization. This method provides a different perspective on nonlinear beam dynamics and an efficient method for nonlinear lattice optimization. Applications in dynamic aperture optimization are demonstrated as real world examples.

36 MATERIALS SCIENCE↗

Development of Density Functional Tight-Binding Parameters Using Relative Energy Fitting and Particle Swarm Optimization

We provide a strategy to optimize density functional tight-binding (DFTB) parameterization for the calculation of the structures and properties of organic molecules consisting of hydrogen, carbon, nitrogen, and oxygen. We utilize an objective function based on similarity measurements and the Particle Swarm Optimization (PSO) method to find an optimal set of parameters. This objective function considers not only the common DFTB descriptors of binding energies and atomic forces but also incorporates relative energies of isomers into the fitting procedure for more chemistry-driven results. The quality in the description of the binding energies and atomic forces is measured based on the Ballester similarity index and relative energies through a similarity index induced by the Levenshtein edit distance to quantify the correct energetic order of isomers. Training and testing datasets were created to include all relevant chemical functional groups. Finally, the accuracy of this strategy is assessed, and its range of applicability is discussed by comparison against our previous parameterization. The improved performance of the new DFTB parameterization is validated with respect to the density functional theory large datasets QM-9 and ANI-1, where excellent agreement is found between the structures and properties available in these datasets, and the ones obtained with DFTB.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Crystal structure prediction with host-guided inpainting generation and foundation potentials

Unconditional crystal structure generation with diffusion models faces challenges in identifying symmetric crystals as the unit cell size increases. Here, we present the crystal host-guided generation (CHGGen) framework to address this challenge through conditional generation using an inpainting method, which optimizes a fraction of atomic positions within a predefined and symmetrized host structure to improve the success rate for symmetric structure generation. By integrating inpainting structure generation with a foundation potential for structure optimization, we demonstrate the method on the ZnS–P 2 S 5 and Li–Si chemical systems, where the inpainting method generates a higher fraction of symmetric structures than unconditional generation. The practical significance of CHGGen extends to enabling the structural modification of crystal structures, particularly for systems with partial occupancy or intercalation chemistry. The inpainting method also allows for seamless integration with other generative models, providing a versatile framework for accelerating materials discovery.

Zhong, Peichen [University of California, Berkeley↗

Inverse-designed broadband low-loss grating coupler on thick lithium-niobate-on-insulator platform

A grating coupler on 700-nm-thick Z-cut lithium-niobate-on-insulator platform with high coupling efficiency, large bandwidth, and high fabrication tolerance is designed and optimized by inverse design method. The optimized grating coupler is fabricated with a single set of e-beam lithography and etching process, and it is experimentally characterized to possess peak coupling efficiency of −3.8 dB at 1574.93 nm, 1 dB bandwidth of 71.7 nm, and 3 dB bandwidth of over 120 nm, respectively.

Physics↗

Data-driven Chaos Indicator for Nonlinear Dynamics and Applications on Storage Ring Lattice Design

A data-driven chaos indicator concept is introduced to characterize the degree of chaos for nonlinear dynamical systems. The indicator is represented by the prediction accuracy of surrogate models established purely from data. It provides a metric for the predictability of nonlinear motions in a given system. When using the indicator to implement a tune-scan for a quadratic Hénon map, the main resonances and their asymmetric stop-band widths can be identified. When applied to particle transportation in a storage ring, as particle motion becomes more chaotic, its surrogate model prediction accuracy decreases correspondingly. Therefore, the prediction accuracy, acting as a chaos indicator, can be used directly as the objective for nonlinear beam dynamics optimization. This method provides a different perspective on nonlinear beam dynamics and an efficient method for nonlinear lattice optimization. Applications in dynamic aperture optimization are demonstrated as real world examples.

43 PARTICLE ACCELERATORS↗

Applicability study of Bayesian optimization in core neutronic design using a toy model

At the Japan Atomic Energy Agency (JAEA), an innovative design approach named ARKADIA (Advanced Reactor Knowledge- and AI-aided Design Integration Approach through the whole plant life cycle) for advanced nuclear reactors is currently under development. One task in ARKADIA is to build a system that automatically optimizes core and fuel designs by conducting core neutronic and thermal-hydraulic calculations, fuel integrity evaluations, and plant dynamic analyses. This system will be implemented to automatically find an optimal design that minimizes (or maximizes) objective function defined by core performance while varying the core and fuel design parameters such as fuel pin diameter, core height and diameter. In this study, as the first step of system development, we focused only on core neutronic design and conducted a study of automatic optimization. As the optimization algorithm, Bayesian optimization (BO), an effective method for optimization problems with expensive computational cost of objective function, was utilized. The applicability of BO was studied based on single- and two-objective optimization examples of core neutronic design in a toy model. As a result, in the former, it was shown that BO can give the optimal solution, which matches the reference solution calculated by a brute force calculation well, with a small number of required calculations. Usability on core neutronic designs, where the computational cost per case is high, was confirmed. In the latter, it was found that BO can give a Pareto solutions-set that shows good agreement with the reference solution. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Formulation analysis and computation of an optimization-based local-to-nonlocal coupling method

We present an optimization-based coupling method for local and nonlocal continuum models. Our approach couches the coupling of the models into a control problem where the states are the solutions of the nonlocal and local equations, the objective is to minimize their mismatch on the overlap of the local and nonlocal problem domains, and the virtual controls are the nonlocal volume constraint and the local boundary condition. We present the method in the context of Local-to-Nonlocal diffusion coupling. Numerical examples illustrate the theoretical properties of the approach.

97 MATHEMATICS AND COMPUTING↗

SU-E-T-446: Group-Sparsity Based Angle Generation Method for Beam Angle Optimization

Purpose: This work is to develop the effective algorithm for beam angle optimization (BAO), with the emphasis on enabling further improvement from existing treatment-dependent templates based on clinical knowledge and experience. Methods: The proposed BAO algorithm utilizes a priori beam angle templates as the initial guess, and iteratively generates angular updates for this initial set, namely angle generation method, with improved dose conformality that is quantitatively measured by the objective function. That is, during each iteration, we select “the test angle” in the initial set, and use group-sparsity based fluence map optimization to identify “the candidate angle” for updating “the test angle”, for which all the angles in the initial set except “the test angle”, namely “the fixed set”, are set free, i.e., with no group-sparsity penalty, and the rest of angles including “the test angle” during this iteration are in “the working set”. And then “the candidate angle” is selected with the smallest objective function value from the angles in “the working set” with locally maximal group sparsity, and replaces “the test angle” if “the fixed set” with “the candidate angle” has a smaller objective function value by solving the standard fluence map optimization (with no group-sparsity regularization). Similarly other angles in the initial set are in turn selected as “the test angle” for angular updates and this chain of updates is iterated until no further new angular update is identified for a full loop. Results: The tests using the MGH public prostate dataset demonstrated the effectiveness of the proposed BAO algorithm. For example, the optimized angular set from the proposed BAO algorithm was better the MGH template. Conclusion: A new BAO algorithm is proposed based on the angle generation method via group sparsity, with improved dose conformality from the given template. Hao Gao was partially supported by the NSFC (#11405105), the 973 Program (#2015CB856000) and the Shanghai Pujiang Talent Program (#14PJ1404500)

60 APPLIED LIFE SCIENCES↗

Development and validation of a second-order thermal network model for residential buildings

Heating, Ventilation, and Air Conditioning (HVAC) systems can maintain the space air temperature of residential buildings, either directly by heating/cooling the air, or indirectly via heat transfer to and from the building structure that acts as a thermal mass. Hence, HVAC systems can help achieve load shifting, peak load reduction, and/or energy cost saving, thus enabling grid-interactive HVAC operation. A home thermal model that can accurately reflect the dynamics of the space air and interior wall surface temperatures, is therefore valuable. This paper develops such a model using the standard RC (resistance-capacitance) approach. The model contains a virtual envelope node and an internal space node and is thus second-order. A hybrid parameter identification scheme, made up of the least-squares and optimal search methods, is also developed. The proposed model and scheme were validated using data collected from a test home. It was found that a modest amount of training data was sufficient to yield reliable parameter estimates and accurate prediction. It was also found that when making 24-hour-ahead prediction of the space air temperature, both methods had comparable performances when the training data began in a transition season. However, when they began in an HVAC season, the optimal search method performed better. Furthermore, the least-squares method is recommended during a transition season due to its lower computational burden, while the optimal search method is recommended during an HVAC season due to its better estimation performance.

24 POWER TRANSMISSION AND DISTRIBUTION↗

SU-E-T-42: A Method to Determine the Optimal Proton Scanned Beam Angle to Ensure Robust Treatment Planning

Purpose: The ability of pencil beam scanning (PBS) to deliver highly conformal dose distributions may be affected by patient- and physics-related uncertainties. In clinical practice, selection of proton beam angles is determined qualitatively. This study investigates whether an optimal proton PBS beam angle could be quantitatively determined to ensure robust planning for pelvic targets. Methods: PBS beam angles were optimized based on two independent criteria; shortest and most homogeneous path from the patient surface to the distal edge of the target. The beam angle optimization criteria for gantry angles between 90°-270° were quantified in 10° increments for each ray, calculated as the straight line distance from the surface of the skin to the CTV’s distal edge. The goal was to minimize the path length of a proton PBS beam from the patient surface to the distal edge of the CTV, relative to the entry point, while minimizing HU inhomogeneity along the ray. HU homogeneity (i.e. HU variation) was quantitatively defined as the standard deviation of the average intra-ray HU intensity distribution of the rays comprising a single beam. This method was validated relative to inter-fraction changes on ten consecutive, locally advanced, rectal cancer patients, who underwent an average 4 verification CTs. The displacement of the 95–98% isodose lines was determined from forward calculated dose distributions on verification CTs. Results: The posterior beam (180°) had the average shortest path length, 132.7±17.2mm, and the most homogenous path, 31.9±4.3HU. The 95–98% isodose lines from all plans verified our path length to within 2.3±1.2% and HU homogeneity to within 1.2±0.5%. Conclusion: The proposed optimization algorithm determined the posterior beam dose distribution as the most robust relative to inter-fraction variation for large pelvic targets treated with PBS and was validated via verification CT for our patient cohort. Future work will focus on further algorithm development.

60 APPLIED LIFE SCIENCES↗

Optimal local truncation error method for 3-D elasticity interface problems

The paper deals with a new effective numerical technique on unfitted Cartesian meshes for simulations of heterogeneous elastic materials. Here, we develop the optimal local truncation error method (OLTEM) with 27- point stencils (similar to those for linear finite elements) for the 3-D time-independent elasticity equations with irregular interfaces. Only displacement unknowns at each internal Cartesian grid point are used. The interface conditions are added to the expression for the local truncation error and do not change the width of the stencils. The unknown stencil coefficients are calculated by the minimization of the local truncation error of the stencil equations and yield the optimal second order of accuracy for OLTEM with the 27-point stencils on unfitted Cartesian meshes. A new post-processing procedure for accurate stress calculations has been developed. Similar to basic computations it uses OLTEM with the 27-point stencils and the elasticity equations. The post-processing procedure can be easily extended to unstructured meshes and can be independently used with existing numerical techniques (e.g., with finite elements). Numerical experiments show that at an accuracy of 0.1% for stresses, OLTEM with the new post-processing procedure significantly (by 10 5 -10 9 times) reduces the number of degrees of freedom compared to linear finite elements. OLTEM with the 27-point stencils yields even more accurate results than high-order finite elements with wider stencils.

42 ENGINEERING↗