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Machine-Learning Analysis of Moisture Carryover in Boiling Water Reactors

Moisture carryover (MCO) is modeled in the General Electric Type-4 boiling water reactor (BWR) using machine-learning methods and data from operating plants. Understanding MCO and the conditions that give rise to an elevated value is important since excessive MCO can damage critical turbine components, can result in elevated dose levels to on-site personnel, and can interfere with late-cycle power management. The analysis of MCO takes into account simplifying reactor symmetries and important geometric dependencies. The plant data are taken from several reactors and were collected over multiple years and multiple fuel cycles. A brief description of the origin of MCO in U.S. BWR plants is given. A machine-learning model is constructed from the data using applicable algorithms and data-reduction techniques. Matching model complexity with available data is one of the more challenging machine-learning tasks. Too many features and too little data will lead to overfitting. The data for each fuel cycle included over 6876 original features, 9 for each fuel bundle. Two approaches are used to reduce the data set into a manageable number of features. The first was an engineering analysis that resulted in the selection of steam quality Q and steam liquid phase velocity V L as the main features driving MCO. Using a Q and a V L for each fuel bundle gives 1528 Q and a V L feature describing the reactor behavior. An analysis of different functional forms of these two variables led to the actual inputs to the neural network model. The second approach involved the use of statistical techniques such as Pearson’s correlation and k-means analysis. The identified groupings of bundles behaved similarly. Treating each grouping as a single feature further reduced the input variable set to a manageable number. Here, a model selection criterion is proposed, and results are presented along with a discussion of related issues.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Weatherization Assistant NEAT/MHEA

The software provides a measure selection technique indicating cost effective retrofit activities that can be applied to a home using a standard Savings to Investment Ratio (SIR). Users must provide an input file describing the characteristics of the home to be evaluated. The software takes the input data provided and calculates energy savings and cost savings predicted for a standard set of measures given the input parameters. The Weatherization Assistant computes estimates of pre-retrofit whole building space heating and cooling energy consumptions based on the house description data supplied by the user. The consumptions are computed using a monthly heating and cooling variable base degree-day method by algorithms similar to those developed for the CIRA program [LBL, 1982]. The building consumptions are needed in computing the energy savings from measures affecting the efficiencies of the heating and cooling equipment. Weatherization Assistant then computes the energy savings and costs for each individual measure applicable to the building described as if it were the only measure installed in the house. From these energy savings, a discounted dollar savings over the life of each measure is computed. The ratio of this dollar savings to the cost of installing the measure, the "savings-to-investment ratio" (SIR), is used in an initial ranking of the measures' effectiveness. The "interacted" savings and SIR of measures are then determined assuming the measures are added to the house collectively, in order of their ranking, e.g., the second ranked measure is installed in the house initially described by the user after having been modified by the first ranked measure. If this second-ranked measure's updated SIR is greater than a user-defined limit, the measure is left implemented, else it is removed so that the next measure's effectiveness is not dependent on it. The choice between two mutually exclusive measures (such as different levels of insulation) is made on the basis of their "net present value" (NPV), the difference of life-time savings and installation cost, rather than their SIR. This has been shown to be the more correct criterion on which to base the selection between two measures, both of which cannot be installed. The audit computes and reports to the user the energy savings, discounted dollar savings, installation cost, and SIR for each measure considered cost-effective. For those with SIR greater than the user-designated cutoff, a materials list gives the material name, type, and quantity required for installation of the measure. Weatherization Assistant permits entry of pre-retrofit billing data for gas or electrically heated homes or homes with electric air-conditioning. The user may then make the decision to have the savings of the measures adjusted to reflect the difference in billed consumption and that predicted by the program.

Gettings, Michael↗

Multimodal sensor fusion framework for residential building occupancy detection

For several years now, smart building energy systems have been a research area of intensive activity. In light of the increasing need for sustainable buildings and energy systems, this trend motivates an increasing need for a solution to reduce carbon dioxide emissions and improve energy efficiency. This work proposes a high-performing and transferable occupancy detection framework that combines sensor data from different data modalities, including time series environmental data (temperature, humidity, and illuminance), image data, and acoustic energy data using ensemble method. To draw out the best prediction performance in each modality, the proposed framework was developed, including various models that were designed to learn the occupancy patterns reflected in the physical data streams. To tackle the time series environmental data, we designed two variants of an occupancy detection spatiotemporal pattern network (Occ-STPN) that performs both feature level and decision level fusion, respectively. We also propose a new metric; the fading memory mean square error (FMMSE), that provides a fair evaluation and penalization of delayed occupancy predictions. Multiple open-sourced datasets, including the Electricity Consumption and Occupancy and the University of California, Irvine's (UCI) building occupancy detection dataset, along with our own real data collected from six different houses, were used to validate the algorithms' performance. The experimental results presented herein break down the performance for each sensing modality, and a detailed analysis of the performance is also discussed.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Extension of frozen natural orbital approximation to open-shell references: Theory, implementation, and application to single-molecule magnets

Natural orbitals are often used to achieve a more compact representation of correlated wave-functions. Using natural orbitals computed as eigenstates of the virtual–virtual block of the state density matrix instead of the canonical Hartree–Fock orbitals results in smaller errors when the same fraction of virtual space is frozen. This strategy, termed frozen natural orbital (FNO) approach, is effective in reducing the cost of regular coupled-cluster (CC) calculations and some multistate methods, such as EOM-IP-CC (equation-of-motion CC for ionization potentials). This contribution extends the FNO approach to the EOM-SF-CC ansatz (EOM-CC with spin-flip). In contrast to EOM-IP-CCSD, EOM-SF-CCSD relies on high-spin open-shell references. Using FNOs computed for an open-shell reference leads to an erratic behavior of the EOM-SF-CC energies and properties due to an inconsistent truncation of the α and β orbital spaces. A general solution to problems arising in the EOM-CC calculations utilizing open-shell references, termed OSFNO (open-shell FNO), is proposed. Furthermore, by means of singular value decomposition (SVD) of the overlap matrix of the α and β orbitals, the OSFNO algorithm identifies the corresponding orbitals and determines virtual orbitals corresponding to the singly occupied space. This is followed by SVD of the singlet part of the state density matrix in the remaining virtual orbital subspace. The so-computed FNOs preserve the spin purity of the open-shell orbital subspace to the extent allowed by the original reference, thus facilitating a safe truncation of the virtual space. The performance of OSFNO is benchmarked for selected diradicals and triradicals.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A Scenario Generation Method for Wind Power Ramp Events Forecasting

Wind power ramp events (WPREs) have received increasing attention in recent years due to their significant impact on the reliability of power grid operations. In this paper, a novel WPRE forecasting method is proposed which is able to estimate the probability distributions of three important properties of the WPREs. To do so, a neural network (NN) is first proposed to model the wind power generation (WPG) as a stochastic process so that a number of scenarios of the future WPG can be generated (or predicted). Each possible scenario of the future WPG generated in this manner contains the ramping information, and the distributions of the designated WPRE properties can be stochastically derived based on the possible scenarios. Actual data from a wind power plant in the Bonneville Power Administration (BPA) was selected for testing the proposed ramp forecasting method. Results showed that the proposed method effectively forecasted the probability of ramp events.

17 WIND ENERGY↗

Stochastic Approximation for Multi-period Simulation Optimization with Streaming Input Data

We consider a continuous-valued simulation optimization (SO) problem, where a simulator is built to optimize an expected performance measure of a real-world system while parameters of the simulator are estimated from streaming data collected periodically from the system. At each period, a new batch of data is combined with the cumulative data and the parameters are re-estimated with higher precision. The system requires the decision variable to be selected in all periods. Therefore, it is sensible for the decision-maker to update the decision variable at each period by solving a more precise SO problem with the updated parameter estimate to reduce the performance loss with respect to the target system. We define this decision-making process as the multi-period SO problem and introduce a multi-period stochastic approximation (SA) framework that generates a sequence of solutions. Two algorithms are proposed: Re-start SA (ReSA) reinitializes the stepsize sequence in each period, whereas Warm-start SA (WaSA) carefully tunes the stepsizes, taking both fewer and shorter gradient-descent steps in later periods as parameter estimates become increasingly more precise. We show that under suitable strong convexity and regularity conditions, ReSA and WaSA achieve the best possible convergence rate in expected sub-optimality either when an unbiased or a simultaneous perturbation gradient estimator is employed, while WaSA accrues significantly lower computational cost as the number of periods increases. In addition, we present the regularized ReSA, which obviates the need to know the strong convexity constant and achieves the same convergence rate at the expense of additional computation.

Computer Science↗

Rapid Optimization of Total Variation with Applications in Imaging, Additive Manufacturing, and Qualification

Total Variation optimization penalizes the gradient of a control variable or state. While this work focuses on image processing in particular, it has also found applications in inverse problems and topology optimization. In image processing, the goal is to maintain faithfulness to the original image while denoising and/or deblurring. Additionally, bilevel optimization over the spatially varying regularization weights can illuminate interfaces such as damage regions and other anomalies. We will address two fundamental challenges with TV-optimization: (i) the typical slow convergence of existing TV-optimization methods, and (ii) the selection of spatially varying TV parameters to promote interface detection. Additionally, we will apply such techniques to image data collected in additive manufacturing. In said context, stochasticity in build events induces flaws in the manufactured piece, compromising the integrity of said part. There is a critical need for in-situ monitoring to spot anomalies once they form, and in this setting we apply our total variation and hyperparameter solvers. We will develop a customized algorithm based on for extreme-scale TV-optimization that achieves super-linear or quadratic-convergence, a critical property for real-time, image-by-image analysis. A worst-case outcome is a preprocessing step that enhances image quality in-situ, specifically for out-of-focus and noisy images.

36 MATERIALS SCIENCE↗

Web-Based Tools for Data-Informed Remedy Optimization: Software Theory and User Guide

This report documents the development and application of two web-based decision-support tools for pump-and-treat (P&T) groundwater remediation systems: PTOLEMY (Pump-and-Treat Optimized Location Evaluation to Maximize Yields) and OPTIMA (Optimization for Pump-and-Treat Implementation, Management, & Assessment). These tools enhance remedy design and management by leveraging advanced computational methods – specifically deep learning and multi-objective optimization – within a user-friendly platform. By integrating data-driven models with established hydrogeological knowledge, PTOLEMY and OPTIMA enable more efficient evaluation of well placement and operational strategies, helping site managers balance multiple remediation objectives under complex conditions. Both tools are implemented as modules within the SOCRATES (Suite Of Comprehensive Rapid Analysis Tools for Environmental Sites) web platform, which provides data access, visualization, and analytics to support remedy optimization across sites in the U.S. Department of Energy Office of Environmental Management complex. PTOLEMY is a rapid screening module designed to identify promising locations for new extraction wells. It employs a multi-channel three-dimensional convolutional neural network (MC3D-CNN) trained on high-fidelity simulation data to predict the relative performance (in terms of contaminant mass recovery) of potential well sites. Through an interactive web interface, PTOLEMY visualizes the probability of high performance across a site, highlighting areas where an extraction well is likely to yield above-threshold contaminant removal over a multi-year period. PTOLEMY’s map-based displays and exportable results support transparent communication of screening analyses. By focusing attention on the most favorable candidate locations, the tool augments traditional engineering judgment and physics-based modeling, providing a data informed basis for subsequent detailed evaluations. OPTIMA is a multi objective optimization module designed to find wellfield layouts and operating schedules that meet various cleanup goals. It quickly evaluates thousands of candidate setups – combinations of well locations, timing, and rates – and returns a small set of best trade-off options for comparison. At its core, OPTIMA uses a U-Net-based surrogate model – a deep-learning emulator of a groundwater flow and transport simulator – to dramatically accelerate scenario evaluations. Coupling this fast surrogate with the NSGA-II (Non-dominated Sorting Genetic Algorithm II) evolutionary algorithm, OPTIMA explores a wide decision space of well locations and schedules to identify Pareto-optimal solutions that trade off key objectives (e.g., minimizing cleanup time, maximizing contaminant mass removal, and minimizing plume extent). The tool outputs a family of optimal configurations and visualizes their trade-offs (Pareto frontiers of cleanup metrics and maps of optimized well placements). Site managers can use these results to understand the range of viable strategies and to select candidate designs for more detailed verification. OPTIMA is currently under active development and not yet fully released; this guide provides early documentation to support planning and gather user feedback.

54 ENVIRONMENTAL SCIENCES↗

In Silico Identification of Microbial Partners to Form Consortia with Anaerobic Fungi

Lignocellulose is an abundant and renewable resource that holds great promise for sustainable bioprocessing. However, unpretreated lignocellulose is recalcitrant to direct utilization by most microbes. Current methods to overcome this barrier include expensive pretreatment steps to liberate cellulose and hemicellulose from lignin. Anaerobic gut fungi possess complex cellulolytic machinery specifically evolved to decompose crude lignocellulose, but they are not yet genetically tractable and have not been employed in industrial bioprocesses. Here, we aim to exploit the biomass-degrading abilities of anaerobic fungi by pairing them with another organism that can convert the fermentable sugars generated from hydrolysis into bioproducts. By combining experiments measuring the amount of excess fermentable sugars released by the fungal enzymes acting on crude lignocellulose, and a novel dynamic flux balance analysis algorithm, we screened potential consortia partners by qualitative suitability. Microbial growth simulations reveal that the fungus Anaeromyces robustus is most suited to pair with either the bacterium Clostridia ljungdahlii or the methanogen Methanosarcina barkeri—both organisms also found in the rumen microbiome. By capitalizing on simulations to screen six alternative organisms, valuable experimental time is saved towards identifying stable consortium members. This approach is also readily generalizable to larger systems and allows one to rationally select partner microbes for formation of stable consortia with non-model microbes like anaerobic fungi.

59 BASIC BIOLOGICAL SCIENCES↗

Simulation and Optimization of Volatile Fatty Acid Upgrading Strategies for Sustainable Transportation Fuel Production

Underutilized wet waste is a promising feedstock for production of carbon-neutral or carbon-negative liquid transportation fuels. Arrested methanogenesis of wet wastes by microbes, which produces mixtures of C2-C8 carboxylic acids (volatile fatty acids, VFAs), is practiced industrially at a pilot scale and the VFA products can be catalytically upgraded to molecules suitable for use as transportation fuels (alcohols and alkanes) via sequential ketonization and hydrogenation, both steps of which have been demonstrated with high (>90%) yield at the lab scale. We present in this work a simulation-based decision-making framework which evaluates upgrading strategies of VFAs to alcohol- and hydrocarbon-based neat and blended diesel, jet, and gasoline fuels. The processes utilize sequential upgrading steps (ketonization and hydrogenation) accompanied by one distillation step (either separating VFAs before ketonization or alcohols after ketone hydrogenation) to form two liquid streams: a light alcohol stream best suited as a light-duty fuel and a heavy alcohol or hydrocarbon stream best suited as a diesel or jet fuel. Suitability of the liquid products as transportation fuels and maximum blending levels with petrofuels comes from simulation of critical fuel properties (boiling point, flash point, lower heating value, viscosity, melting point, water solubility, and cetane/octane number). Catalytic upgrading steps and fuel property mixing models used by the simulation are experimentally validated. We demonstrate the flexibility of the decision-making algorithm by evaluating processing scenarios for experimentally-observed VFA profiles with varied carbon chain length distributions. Processing scenarios are optimized for either maximum total renewable carbon utilization or production of heavy-duty (jet or diesel) fuels. We evaluate the economic viability and CO2 emissions of each proposed upgrading scenario using techno-economic and life cycle analyses. The decision-making framework developed in this work can also be used to down-select promising strategies for upgrading of other bio-based feedstocks to sustainable fuels and chemicals.

aviation fuel↗

Evaluation of antifouling surfaces using a method that employs mussel larvae settlement quantified by machine learning

Antifouling coating development requires extensive performance testing. Coatings that prevent aquatic larval settlement are of interest because many forms of macrofouling begin at the larval stage. However, field testing can be time consuming and poorly controlled. Herein is reported a screening tool, Settlement of Larvae Assay using Mussels (SLAM), for down-selecting materials prior to field testing. The method entails using a dense concentration of mussel larvae that are allowed to settle on submerged test surfaces. Settled larvae are then quantified to provide a measure of antifouling performance. The SLAM test differentiated coatings with only slight differences in formulation. To enable efficient quantification of dense larvae settlement, an automated counting method was developed that combines two analyses: a color thresholding identifies larvae clumps, and a machine learning algorithm identifies non-clumped larvae. Finally, this automated ‘hybrid’ approach rapidly quantifies settled larvae as effectively as manual counting but in a fraction of the time.

Mytilus↗

Computer Science Research Needs for Parallel Discrete Event Simulation (PDES)

Historically, scientific computing efforts have demonstrated the clear need for, and effective use of, supercomputing with traditional time-stepped simulations. Nevertheless, there are several areas in the mission spaces of the U.S. Department of Energy and other agencies waiting to tap advanced computing research using a different, discrete event style of modeling, simulation, and analysis. These span a wide spectrum of applications including energy grid resilience, urban planning and policy, transportation science, building technologies, emergency response and planning, environmental impact analysis, computational epidemiology, Internet communications, cyber security, and cyber-physical systems, to name only a few. Even within traditional scientific applications, the role of discrete event modes of execution is increasing in the form of new event-based mathematical solvers such as quantized state integration methods and discrete-continuous hybrid system solvers. Co-design of advanced supercomputing hardware systems is another area that exploits discrete event simulation at its core for effective analyses. Complex systems, entity behaviors and interconnections play a significant role in all these applications, which are mapped to large-scale models with discrete event formulations. To make advancements in all the aforementioned scientific areas, many technical aspects need to be more thoroughly studied and deeply understood in parallel discrete event simulation (PDES). The unique dynamics inherent in a discrete event modeling approach, by their very nature, intersect and influence the entire stack of the computing system, including (a) the unique nature of the instruction sets exercised in PDES workloads without a predominance of high-precision floating point operations, (b) virtual time-constrained multi-threaded execution of many logical processes per processor, (c) extremely variable and difficult to predict network traffic characteristics, (d) interfaces and inter-dependencies with machine learning and artificial intelligence codes at higher software layers, and (e) highly challenging load balancing needs, especially in effectively accounting for accelerated/extremely heterogeneous computing in current and future high-performance computing systems. Efficient and accurate parallel execution of PDES workloads is also dominated by challenges in dealing with their asynchronous concurrency fundamentally present at the model level. Conservative synchronization, optimistic/speculative synchronization, and their hybrid schemes open new questions in fundamental computer science with respect to reversibility of computation and prediction (lookahead) of behaviors inherent within model codes. On the implementation front, there are relatively few scalable, general-purpose parallel discrete event simulators in the world, and even fewer have been studied on emerging hardware platforms. To enable scientific advances using PDES, the research needs in computer science must also be pursued and met in the intersection of the algorithmic and hardware-aware aspects of scalable PDES engines. This report is aimed at capturing a computer science-oriented view of this important area of research in PDES, presenting a sample of important applications with their inherent discrete event technology elements. Needs are outlined in core areas of parallel discrete event research as well as cross-cutting directions in computer science research that positively impact scientific advancements across several important application areas. A selection of priority research opportunities in advanced computing for PDES is identified to serve as reference for key research topics and their order of importance for scientific advancements.

97 MATHEMATICS AND COMPUTING↗

TH-AB-BRA-09: Stability Analysis of a Novel Dose Calculation Algorithm for MRI Guided Radiotherapy

Purpose: To determine the iterative deterministic solution stability of the Linear Boltzmann Transport Equation (LBTE) in the presence of magnetic fields. Methods: The LBTE with magnetic fields under investigation is derived using a discrete ordinates approach. The stability analysis is performed using analytical and numerical methods. Analytically, the spectral Fourier analysis is used to obtain the convergence rate of the source iteration procedures based on finding the largest eigenvalue of the iterative operator. This eigenvalue is a function of relevant physical parameters, such as magnetic field strength and material properties, and provides essential information about the domain of applicability required for clinically optimal parameter selection and maximum speed of convergence. The analytical results are reinforced by numerical simulations performed using the same discrete ordinates method in angle, and a discontinuous finite element spatial approach. Results: The spectral radius for the source iteration technique of the time independent transport equation with isotropic and anisotropic scattering centers inside infinite 3D medium is equal to the ratio of differential and total cross sections. The result is confirmed numerically by solving LBTE and is in full agreement with previously published results. The addition of magnetic field reveals that the convergence becomes dependent on the strength of magnetic field, the energy group discretization, and the order of anisotropic expansion. Conclusion: The source iteration technique for solving the LBTE with magnetic fields with the discrete ordinates method leads to divergent solutions in the limiting cases of small energy discretizations and high magnetic field strengths. Future investigations into non-stationary Krylov subspace techniques as an iterative solver will be performed as this has been shown to produce greater stability than source iteration. Furthermore, a stability analysis of a discontinuous finite element space-angle approach (which has been shown to provide the greatest stability) will also be investigated. Dr. B Gino Fallone is a co-founder and CEO of MagnetTx Oncology Solutions (under discussions to license Alberta bi-planar linac MR for commercialization)

60 APPLIED LIFE SCIENCES↗

Spatially dependent regularization parameter selection for total generalized variation-based image denoising

We propose a novel image denoising model based on the total generalized variation (TGV) regularization. In the model, a spatially dependent regularization parameter is utilized to adaptively fit the local image features, resulting in further exploitation of the denoising potential of the TGV regularization. The proposed model is formulated under a joint optimization framework, by which the estimations of the restored image and the regularization parameter are achieved simultaneously. Furthermore, the model is general purpose that can handle various types of noise occurring in image processing. An alternating minimization-based numerical scheme is especially developed, which leads to an efficient algorithmic solution to the nonconvex optimization problem. Numerical experiments are reported to illustrate the effectiveness of our model in terms of both peak signal-to-noise ratio and visual perception.

97 MATHEMATICS AND COMPUTING↗

Physics-informed hybrid modeling methodology for building infiltration

Infiltration is responsible for one-third to one-half of the space conditioning load of a typical residential home, but the modeling of infiltration for building energy modeling is either represented by over-simplified equations or dependent on over-generalized rules of thumb. Here, this paper develops a physics-informed data-driven methodology for modeling infiltration using building-specific empirical measurements. The developed hybrid methodology combines machine-learning categorization and grey-box sub-modeling to improve the accuracy and generalization of commonly used grey-box infiltration models. The developed methodology excels at predicting infiltration by improving the ability to predict infiltration under unseen environmental conditions using machine learning algorithms with physical significance. In a case study conducted using the iUnit, a modular studio apartment experimental test facility located at the National Renewable Energy Laboratory, we use empirical airtightness measurements to fit an infiltration model using the developed methodology. We find that the developed methodology can improve the overall model accuracy by 43% and improve extrapolation by 38%, compared with the model based on the common grey-box infiltration equation. We also notice that the selected features can improve the performance of a pure machine-learning model, indicating that our methodology identifies the features with the most physical significance to infiltration modeling.

97 MATHEMATICS AND COMPUTING↗

Aggregation and Solubility of a Model Conjugated Donor–Acceptor Polymer

In conjugated polymers, solution-phase structure and aggregation exert a strong influence on device morphology and performance, making understanding solubility crucial for rational design. Using atomistic molecular dynamics (MD) and free-energy sampling algorithms, we examine the aggregation and solubility of the polymer PTB7, studying how side-chain structure can be modified to control aggregation. We demonstrate that free-energy sampling can be used to effectively screen polymer solubility in a variety of solvents but that solubility parameters derived from MD are not predictive. We then study the aggregation of variants of PTB7 including those with linear (octyl), branched (2-ethylhexyl), and cleaved (methyl) side chains, in a selection of explicit solvents and additives. As a result, energetic analysis demonstrates that while side chains do disrupt polymer backbone stacking, solvent exclusion is a critical factor controlling polymer solubility.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Detecting macroevolutionary genotype–phenotype associations using error-corrected rates of protein convergence

On macroevolutionary timescales, extensive mutations and phylogenetic uncertainty mask the signals of genotype–phenotype associations underlying convergent evolution. To overcome this problem, we extended the widely used framework of non-synonymous to synonymous substitution rate ratios and developed the novel metric ω C , which measures the error-corrected convergence rate of protein evolution. While ω C distinguishes natural selection from genetic noise and phylogenetic errors in simulation and real examples, its accuracy allows an exploratory genome-wide search of adaptive molecular convergence without phenotypic hypothesis or candidate genes. Using gene expression data, we explored over 20 million branch combinations in vertebrate genes and identified the joint convergence of expression patterns and protein sequences with amino acid substitutions in functionally important sites, providing hypotheses on undiscovered phenotypes. We further extended our method with a heuristic algorithm to detect highly repetitive convergence among computationally non-trivial higher-order phylogenetic combinations. Our approach allows bidirectional searches for genotype–phenotype associations, even in lineages that diverged for hundreds of millions of years.

59 BASIC BIOLOGICAL SCIENCES↗

SU-F-T-625: Optimal Treatment Planning Strategy Among Arc Arrangements for Prostate SBRT with VMAT Technique

Purpose: The purpose of this study is to determine the optimal treatment planning strategy among the different arc arrangements for prostate stereotactic body radiotherapy (SBRT) plans with volumetric modulated arc therapy (VMAT). Methods: Ten patients with prostate cancer were selected. The SBRT-VMAT plans for each patient were generated with single-full (181° to 179°; 1FA), single-partial (240° to 120°; 1PA), double-full (181° to 179° and 179° to 181°; 2FA), and double-partial (240° to 120° and 120° to 240°; 2PA) arc arrangements. The prescription dose was 42.7 Gy in 7 fractions. Dose distribution was calculated using a 10-MV flattening-filter-free beam and the Acuros XB algorithm. Dosimetric parameters of target volume and organs at risk (OARs) were evaluated from cumulative dose-volume histograms on prostate SBRT-VMAT plans between single-arc (1FA and 1PA) and double-arc (2FA and 2PA) arrangements. Results: All plans using four arc arrangements were highly conformal with conformity index (CI)<1.05 and conformation number (CN)=0.91, and the doses to target volume were homogeneous (homogeneity index (HI)= 0.09 0.12). Pertaining to the dose to the OARs, there were significant differences in the rectum, left and right femoral head doses while having no difference in the bladder dose. The partial-arc (1PA and 2PA) had relatively high reductions for the mean rectum dose compared to full-arc (1FA and 2FA). The near-to-maximum dose (D2%) and mean dose of the left and right femoral head were always lower on prostate SBRT-VMAT plan using the full-arc, when compared to the partial-arc arrangement. Conclusion: This study confirmed that prostate SBRT-VMAT using 1PA was feasible fast delivery time and produced equivalent target coverage and better rectum sparing, although the D2% and mean dose of the left and right femoral head increased slightly. Therefore, the results of this study suggest that the use of 1PA is an attractive choice for delivering prostate SBRT-VMAT.

60 APPLIED LIFE SCIENCES↗