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At least 577 records · Page 32

A Task Based Approach for Co-Scheduling Ensemble Workloads on Heterogeneous Nodes

Scientific workflows consist of multiple, connected applications, with data and results flowing from one to another in a pipeline. Traditionally, such workflows are executed in sequential order, storing intermediate data in storage disks. Co-scheduling application workflows concurrently on the same compute nodes would greatly reduce the cost of moving data to/from storage and allow real-time analysis of intermediate results. Nevertheless, most parallel programming runtimes do not allow seamless integration of various applications in a scientific workflow, in part due to the complexity of managing data and resources. The situation is even more complicated for heterogeneous systems. In this work we extend the Minos Computing Library (MCL) runtime to accelerate pipe-lined and parallel workloads where multiple applications are running in the same system. MCL’s asynchronous task library and runtime dynamically manages resources to allow co-scheduling of multiple processes sharing heterogeneous resources. In addition, we design a custom ex- tension of the Open Compute Language (OpenCL) to enable multiple processes to share device memory. We enable MCL to coordinate these shared buffers to allow for easy, fast data sharing between applications. Using malleable micro-benchmarks and two application workflows that combine scientific simulation and AI-based analysis, we show that our method outperforms traditional approaches.

Index Terms—Parallel systems, Scheduling and Task ↗

A Modular and Transferable Reinforcement Learning Framework for the Fleet Rebalancing Problem

Mobility on demand (MoD) systems show great promise in realizing flexible and efficient urban transportation. However, significant technical challenges arise from operational decision making associated with MoD vehicle dispatch and fleet rebalancing. For this reason, operators tend to employ simplified algorithms that have been demonstrated to work well in a particular setting. To help bridge the gap between novel and existing methods, we propose a modular framework for fleet rebalancing based on model-free reinforcement learning (RL) that can leverage an existing dispatch method to minimize system cost. In particular, by treating dispatch as part of the environment dynamics, a centralized agent can learn to intermittently direct the dispatcher to reposition free vehicles and mitigate against fleet imbalance. We formulate RL state and action spaces as distributions over a grid partitioning of the operating area, making the framework scalable and avoiding the complexities associated with multiagent RL. Numerical experiments, using real-world trip and network data, demonstrate that RL reduces waiting time by 28% to 38% for the same-day evaluation, 17% to 44% for cross-day evaluation, and 22% to 25% for cross-season evaluation compared with no rebalancing scenarios. This approach has several distinct advantages over baseline methods including: improved system cost; high degree of adaptability to the selected dispatch method; and the ability to perform scale-invariant transfer learning between problem instances with similar vehicle and request distributions.

33 ADVANCED PROPULSION SYSTEMS↗

Microgreens Root Zone/Shoot Zone Partitioned Planting Box

To enable sustainable food production in future human exploration missions, plant growth is being studied by the Space Crop Production Team at KSC. Microgreens are good candidates for food supplements and contain specific nutrients that are lacking in the prepackaged diet, including vitamin C and vitamin K. Because they are densely sown, typical growth methods do not allow the ability to distinguish between the levels of evaporation from the rooting substrate and transpiration from the leaves. With larger plants, the root and shoot zone can be separated to distinguish these fluxes and accurate transpiration measurements of plant canopies are feasible. Furthermore, separation of the root and shoot zone may also be beneficial when harvesting microgreens in microgravity as it may reduce microbial contamination of the edible biomass by the roots, which have high microbial loads. Using a root and shoot separator box when harvesting may help with microbial contamination, but these tiny plants are challenging to handle in microgravity, so harvest management remains an open question. The innovation proposed here is a microgreen root/shoot partitioned planting box, which offers a solution to these challenges with accurate gas exchange measurements and a safe microgreen harvest in low gravity environments. Being able to measure transpiration of a microgreen canopy will be important for modeling plant growth in reduced gravity environments, so the first objective was to develop a planting unit with a seal between the root zone and the shoot zone. With an unsuitable harvesting technique, freshly harvested microgreens may add debris to the cabin, so the second objective was to test different harvesting techniques and management approaches associated with this innovation. These two objectives were pursued in parallel since many goals were the same: develop a planting unit that 1) separates the shoots from the roots, 2) allows acceptable germination rate, and 3) allows for seedlings to emerge and develop. What differed was the need to have a seal, which was only applicable for our gas exchange goal, and the need to have an embedded harvesting mechanism and bagging method which only applied to our harvesting goal. Testing of the various harvesting mechanisms and bagging methods was performed during a series of parabolic flights. All parabolic flight procedures took place inside a rented secondary containment chamber (e.g., glovebox) that was developed by the University of Louisville specifically for experiments involving fluids and other materials that may become airborne during reduced gravity flight. Three different harvesting methods and two different bagging collection methods were tested for microgreens. A third bagging method was initially tested but found to be unsuitable. Human factors were also taken into consideration, to identify which harvest and bagging collection methods would be easiest to use with favorable results in microgravity. Three parabolic flight tests were performed in total, one in November 2021 and two in December 2021.

Gioia Massa↗

Predicting Volume of Distribution in Humans: Performance of In Silico Methods for a Large Set of Structurally Diverse Clinical Compounds

Volume of distribution at steady state (V D,ss ) is one of the key pharmacokinetic parameters estimated during the drug discovery process. Despite considerable efforts to predict V D,ss , accuracy and choice of prediction methods remain a challenge, with evaluations constrained to a small set (<150) of compounds. To address these issues, a series of in silico methods for predicting human V D,ss directly from structure were evaluated using a large set of clinical compounds. Machine learning (ML) models were built to predict V D,ss directly and to predict input parameters required for mechanistic and empirical V D,ss predictions. In addition, log D, fraction unbound in plasma (fup), and blood-to-plasma partition ratio (BPR) were measured on 254 compounds to estimate the impact of measured data on predictive performance of mechanistic models. Furthermore, the impact of novel methodologies such as measuring partition (Kp) in adipocytes and myocytes (n = 189) on V D,ss predictions was also investigated. In predicting V D,ss directly from chemical structures, both mechanistic and empirical scaling using a combination of predicted rat and dog V D,ss demonstrated comparable performance (62%–71% within 3-fold). The direct ML model outperformed other in silico methods (75% within 3-fold, r 2 = 0.5, AAFE = 2.2) when built from a larger data set. Scaling to human from predicted V D,ss of either rat or dog yielded poor results (<47% within 3-fold). Measured fup and BPR improved performance of mechanistic V D,ss predictions significantly (81% within 3-fold, r 2 = 0.6, AAFE = 2.0). Adipocyte intracellular Kp showed good correlation to the V D,ss but was limited in estimating the compounds with low V D,ss .

59 BASIC BIOLOGICAL SCIENCES↗

Coherency-Aware Learning Control of Inverter-Dominated Grids: A Distributed Risk-Constrained Approach

Here, this letter investigates the importance of integrating the coherency knowledge for designing controllers to dampen sustained oscillations in wide-area power networks with significant penetration of inverter-interfaced resources. Coherency is a fundamental property of power systems, where time-scale separation in frequency dynamics leads to clustered behavior among generators of different groups. Large-scale penetration of inverter-driven low inertia resources replacing conventional synchronous generators (SGs) can lead to perturbation in the coherent partitioning; hence, integrating such information is of utmost importance for oscillation control designs. We present the coherency-aware design of a distributed output feedback-based reinforcement learning method that additionally incorporates risk constraints to capture the uncertainties related to net-load fluctuations. The use of domain-aware coherency information has produced improved training and oscillation performance than the coherency-agnostic control design, hence proving to be effective in controller design. Finally, we validated the proposed method with numerical experiments on the benchmark IEEE 68-bus test system.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Studies in tilt rotor VTOL aircraft aeroelasticity, volume 2

Two methods for natural mode vibration analysis are discussed. The first consists of a direct approach based on a finite element representation of the complete structure as an entity. The mass and stiffness matrices for the complete structure are assembled by properly combining the mass and stiffness matrices of the individual elements into which the structure has been divided. The second approach is that of component mode synthesis. This method is based on the concept of synthesizing the natural modes of the complete structure from modes of conveniently difined substructures, or components, into which the structure has been partitioned. In this way the expedient of reducing the system degrees of freedom, and thus the size of the eigenvalue problem, can be introduced by partial modal synthesis.

Kvaternik, R. G.↗

Progressive content-based retrieval of image and video with adaptive and iterative refinement

A method and apparatus for minimizing the time required to obtain results for a content based query in a data base. More specifically, with this invention, the data base is partitioned into a plurality of groups. Then, a schedule or sequence of groups is assigned to each of the operations of the query, where the schedule represents the order in which an operation of the query will be applied to the groups in the schedule. Each schedule is arranged so that each application of the operation operates on the group which will yield intermediate results that are closest to final results.

Li, Chung-Sheng↗

Electron Energization and Thermal to Non-Thermal Energy Partition During Earth's Magnetotail Reconnection

Electrons in earth's magnetotail are energized significantly both in the form of heating and in the form of acceleration to non-thermal energies. While magnetic reconnection is considered to play an important role in this energization, it still remains unclear how electrons are energized and how energy is partitioned between thermal and non-thermal components. Here, we show, based on in situ observations by NASA's magnetospheric multiscale mission combined with multi-component spectral fitting methods, that the average electron energy ε¯(or equivalently temperature) is substantially higher when the locally averaged electric field magnitude |𝐸| is also higher. While this result is consistent with the classification of “plasma-sheet” and “tail-lobe” reconnection during which reconnection is considered to occur on closed and open magnetic field lines, respectively, it further suggests that a stochastic Fermi acceleration in 3D, reconnection-driven turbulence is essential for the production and confinement of energetic electrons in the reconnection region. The puzzle is that the non-thermal power-law component can be quite small even when the electric field is large and the bulk population is significantly heated. The fraction of non-thermal electron energies varies from sample to sample between ∼20% and ∼60%, regardless of the electric field magnitude. Interestingly, these values of non-thermal fractions are similar to those obtained for the above-the-looptop hard x-ray coronal sources for solar flares.

M Oka↗

Extraction and Separation of Rare-Earth Elements from Coal Fly Ash and Leachate using a Recyclable Ionic Liquid

Coal fly ash (CFA) can be a promising source for recovering rare-earth elements (REEs), as it contains a broad range of REEs with average concentrations frequently exceeding those in traditional rare earth mines. Recent research from our group has demonstrated that REEs can be preferentially extracted from CFA solids using a recyclable ionic liquid (IL), betainium bis-(trifluoromethylsulfonyl)imide ([Hbet][Tf2N]). When CFA was heated with the mixture of IL and an aqueous solution above 65°C, most leached REEs partitioned into the IL phase and were separated from the bulk elements. Subsequent acid stripping of the REE-loaded IL removed the REEs and regenerated the IL for reuse in multiple extraction cycles. This IL-based REE-CFA recovery method has been applied to ten CFA samples derived from different coal sources, including ash recovered from disposal ponds. Analysis of 34 elements confirmed the process consistently achieved high REE recovery efficiency, with strong selectivity over bulk and trace elements across diverse CFA types. In addition to the IL-solid extraction, the performance of [Hbet][Tf2N] in extracting REEs from fly-ash leachates have been evaluated by four commonly used leaching reagents, including HCl, HNO3, H2SO4, and citrate. During the IL-leachate extraction, [Hbet][Tf2N] was mixed and heated with a Class C fly ash leachate generated from each leaching reagent, followed by an acid stripping. It was observed that the partitioning and recovery of REEs increased as the leachate pH increased from 3 to 11. Among the investigated leachates, HCl and citrate proved to be the most compatible with IL extraction, exhibiting a slightly higher REE recovery and a lower non-REE co-extraction compared to the IL-solid extraction. Sc, Y, Nd, Sm, Gd, Dy, and Yb consistently showed a high recovery rate from both CFA solids and leachates. Notably, Pr, Tb, and Ho, which were not previously leached from the CFA solids, were partially recovered from the leachates. Overall, our studies revealed the strong potential of [Hbet][Tf2N] for effectively recovering REEs from leachates, highlighting its applicability as a sustainable strategy for other aqueous REE feedstocks. Furthermore, a techno-economic analysis will be performed to quantify the economic viability of the IL-based REE recovery method and guide future process improvement.

42 ENGINEERING↗

Spray Combustion Modeling with VOF and Finite-Rate Chemistry

A spray atomization and combustion model is developed based on the volume-of-fluid (VOF) transport equation with finite-rate chemistry model. The gas-liquid interface mass, momentum and energy conservation laws are modeled by continuum surface force mechanisms. A new solution method is developed such that the present VOF model can be applied for all-speed range flows. The objectives of the present study are: (1) to develop and verify the fractional volume-of-fluid (VOF) cell partitioning approach into a predictor-corrector algorithm to deal with multiphase (gas-liquid) free surface flow problems; (2) to implement the developed unified algorithm in a general purpose computational fluid dynamics (CFD) code, Finite Difference Navier-Stokes (FDNS), with droplet dynamics and finite-rate chemistry models; and (3) to demonstrate the effectiveness of the present approach by simulating benchmark problems of jet breakup/spray atomization and combustion. Modeling multiphase fluid flows poses a significant challenge because a required boundary must be applied to a transient, irregular surface that is discontinuous, and the flow regimes considered can range from incompressible to highspeed compressible flows. The flow-process modeling is further complicated by surface tension, interfacial heat and mass transfer, spray formation and turbulence, and their interactions. The major contribution of the present method is to combine the novel feature of the Volume of Fluid (VOF) method and the Eulerian/Lagrangian method into a unified algorithm for efficient noniterative, time-accurate calculations of multiphase free surface flows valid at all speeds. The proposed method reformulated the VOF equation to strongly couple two distinct phases (liquid and gas), and tracks droplets on a Lagrangian frame when spray model is required, using a unified predictor-corrector technique to account for the non-linear linkages through the convective contributions of VOF. The discontinuities within the sharp interface will be modeled as a volume force to avoid stiffness. Formations of droplets, tracking of droplet dynamics and modeling of the droplet breakup/evaporation, are handled through the same unified predictor-corrector procedure. Thus the new algorithm is non-iterative and is flexible for general geometries with arbitrarily complex topology in free surfaces. The FDNS finite-difference Navier-Stokes code is employed as the baseline of the current development. Benchmark test cases of shear coaxial LOX/H2 liquid jet with atomization/combustion and impinging jet test cases are investigated in the present work. Preliminary data comparisons show good qualitative agreement between data and the present analysis. It is indicative from these results that the present method has great potential to become a general engineering design analysis and diagnostics tool for problems involving spray combustion.

Chen, Yen-Sen↗

Energy loss partitioning during ballistic impact of polymer composites

The objective of this study is to determine the energy dissipation processes in polymer-matrix composites during impact of ballistic projectiles. These processes include heat, fiber deformation and breakage, matrix deformation and fracture, and interfacial delamination. In this study, experimental measurements were made, using specialized specimen designs and test methods, to isolate the energy consumed by each of these processes during impact in the ballistic range. Using these experiments, relationships between material parameters and energy dissipation were examined. Composites with the same matrix but reinforced with Kevlar, PE, and graphite fabric were included in this study. These fibers were selected based on the differences in their intrinsic properties. Matrix cracking was found to be one of the most important energy absorption mechanisms during impact, especially in ductile samples such as Spectra-900 PE and Kevlar-49 reinforced polymer. On the contrary, delamination dominated the energy dissipation in brittle composites such as graphite reinforced materials. The contribution from frictional forces was also investigated and the energy partitioning among the different processes evaluated.

Zee, Ralph H.↗

An alternative to Guyan reduction of finite-element models

Structural modeling is a key part of structural system identification for large space structures. Finite-element structural models are commonly used in practice because of their general applicability and availability. The initial models generated by using a standard computer program such as NASTRAN, ANSYS, SUPERB, STARDYNE, STRUDL, etc., generally contain tens of thousands of degrees of freedom. The models must be reduced for purposes of identification. Not only does the magnitude of the identification effort grow exponentially as a function of the number of degrees of freedom, but numerical procedures may also break down because of accumulated round-off errors. Guyan reduction is usually applied after a static condensation. Misapplication of Guyan reduction can lead to serious modeling errors. It is quite unfortunate and disappointing, since the accuracy of the original detailed finite-element model one tries very hard to achieve is lost by the reduction. First, why and how Guyan reduction always causes loss of accuracy is examined. An alternative approach is then introduced. The alternative can be thought of as an improvement of Guyan reduction, the Rayleigh-Ritz method, and in particular the recent algorithm of Wilson, Yuan, and Dickens. Unlike Guyan reduction, the use of the alternative does not need any special insight, experience, or skill for partitioning the structural degrees of freedom. In addition to model condensation, this alternative approach can also be used for predicting analytically, quickly, and economically, what are those structural modes that are excitable by a force actuator at a given trial location. That is, in the excitation of the structural modes for identification, it can be used for guiding the placement of the force actuators.

Lin, Jiguan Gene↗

Flight Guidance System Requirements Specification

This report describes a requirements specification written in the RSML-e language for the mode logic of a Flight Guidance System of a typical regional jet aircraft. This model was created as one of the first steps in a five-year project sponsored by the NASA Langley Research Center, Rockwell Collins Inc., and the Critical Systems Research Group of the University of Minnesota to develop new methods and tools to improve the safety of avionics designs. This model will be used to demonstrate the application of a variety of methods and techniques, including safety analysis of system and subsystem requirements, verification of key properties using theorem provers and model checkers, identification of potential sources mode confusion in system designs, partitioning of applications based on the criticality of system hazards, and autogeneration of avionics quality code. While this model is representative of the mode logic of a typical regional jet aircraft, it does not describe an actual or planned product. Several aspects of a full Flight Guidance System, such as recovery from failed sensors, have been omitted, and no claims are made regarding the accuracy or completeness of this specification.

Miller, Steven P.↗

Accelerating eigenvalue computation for nuclear structure calculations via perturbative corrections

Subspace projection methods utilizing perturbative corrections have been proposed for computing the lowest few eigenvalues and corresponding eigenvectors of large Hamiltonian matrices. In this paper, we build upon these methods and introduce the term Subspace Projection with Perturbative Corrections (SPPC) method to refer to this approach. We tailor the SPPC for nuclear many-body Hamiltonians represented in a truncated configuration interaction subspace, i.e., the no-core shell model (NCSM). We use the hierarchical structure of the NCSM Hamiltonian to partition the Hamiltonian as the sum of two matrices. The first matrix corresponds to the Hamiltonian represented in a small configuration space, whereas the second is viewed as the perturbation to the first matrix. Eigenvalues and eigenvectors of the first matrix can be computed efficiently. Because of the split, perturbative corrections to the eigenvectors of the first matrix can be obtained efficiently from the solutions of a sequence of linear systems of equations defined in the small configuration space. These correction vectors can be combined with the approximate eigenvectors of the first matrix to construct a subspace from which more accurate approximations of the desired eigenpairs can be obtained. We show by numerical examples that the SPPC method can be more efficient than conventional iterative methods for solving large-scale eigenvalue problems such as the Lanczos, block Lanczos and the locally optimal block preconditioned conjugate gradient (LOBPCG) method. The method can also be combined with other methods to avoid convergence stagnation.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Staggered solution procedures for multibody dynamics simulation

The numerical solution procedure for multibody dynamics (MBD) systems is termed a staggered MBD solution procedure that solves the generalized coordinates in a separate module from that for the constraint force. This requires a reformulation of the constraint conditions so that the constraint forces can also be integrated in time. A major advantage of such a partitioned solution procedure is that additional analysis capabilities such as active controller and design optimization modules can be easily interfaced without embedding them into a monolithic program. After introducing the basic equations of motion for MBD system in the second section, Section 3 briefly reviews some constraint handling techniques and introduces the staggered stabilized technique for the solution of the constraint forces as independent variables. The numerical direct time integration of the equations of motion is described in Section 4. As accurate damping treatment is important for the dynamics of space structures, we have employed the central difference method and the mid-point form of the trapezoidal rule since they engender no numerical damping. This is in contrast to the current practice in dynamic simulations of ground vehicles by employing a set of backward difference formulas. First, the equations of motion are partitioned according to the translational and the rotational coordinates. This sets the stage for an efficient treatment of the rotational motions via the singularity-free Euler parameters. The resulting partitioned equations of motion are then integrated via a two-stage explicit stabilized algorithm for updating both the translational coordinates and angular velocities. Once the angular velocities are obtained, the angular orientations are updated via the mid-point implicit formula employing the Euler parameters. When the two algorithms, namely, the two-stage explicit algorithm for the generalized coordinates and the implicit staggered procedure for the constraint Lagrange multipliers, are brought together in a staggered manner, they constitute a staggered explicit-implicit procedure which is summarized in Section 5. Section 6 presents some example problems and discussions concerning several salient features of the staggered MBD solution procedure are offered in Section 7.

Park, K. C.↗

Data-driven surrogates for high dimensional models using Gaussian process regression on the Grassmann manifold

This paper introduces a surrogate modeling scheme based on Grassmannian manifold learning to be used for cost-efficient predictions of high-dimensional stochastic systems. The method exploits subspace-structured features of each solution by projecting it onto a Grassmann manifold. This point-wise linear dimensionality reduction harnesses the structural information to assess the similarity between solutions at different points in the input parameter space. The method utilizes a solution clustering approach in order to identify regions of the parameter space over which solutions are sufficiently similarly such that they can be interpolated on the Grassmannian. In this clustering, the reduced-order solutions are partitioned into disjoint clusters on the Grassmann manifold using the eigen-structure of properly defined Grassmannian kernels and, the Karcher mean of each cluster is estimated. Then, the points in each cluster are projected onto the tangent space with origin at the corresponding Karcher mean using the exponential mapping. For each cluster, a Gaussian process regression model is trained that maps the input parameters of the system to the reduced solution points of the corresponding cluster projected onto the tangent space. Using this Gaussian process model, the full-field solution can be efficiently predicted at any new point in the parameter space. In certain cases, the solution clusters will span disjoint regions of the parameter space. In such cases, for each of the solution clusters we utilize a second, density-based spatial clustering to group their corresponding input parameter points in the Euclidean space. The proposed method is applied to two numerical examples. Here, the first is a nonlinear stochastic ordinary differential equation with uncertain initial conditions where the surrogate is used to predict the time history solution. The second involves modeling of plastic deformation in a model amorphous solid using the Shear Transformation Zone theory of plasticity, where the proposed surrogate is used to predict the full strain field of a material specimen under large shear strains.

42 ENGINEERING↗

Gram-Schmidt algorithms for covariance propagation

This paper addresses the time propagation of triangular covariance factors. Attention is focused on the square-root free factorization, P = UDU/T/, where U is unit upper triangular and D is diagonal. An efficient and reliable algorithm for U-D propagation is derived which employs Gram-Schmidt orthogonalization. Partitioning the state vector to distinguish bias and colored process noise parameters increases mapping efficiency. Cost comparisons of the U-D, Schmidt square-root covariance and conventional covariance propagation methods are made using weighted arithmetic operation counts. The U-D time update is shown to be less costly than the Schmidt method; and, except in unusual circumstances, it is within 20% of the cost of conventional propagation.

Thornton, C. L.↗

Gram-Schmidt algorithms for covariance propagation

This paper addresses the time propagation of triangular covariance factors. Attention is focused on the square-root free factorization, P = UD(transpose of U), where U is unit upper triangular and D is diagonal. An efficient and reliable algorithm for U-D propagation is derived which employs Gram-Schmidt orthogonalization. Partitioning the state vector to distinguish bias and coloured process noise parameters increase mapping efficiency. Cost comparisons of the U-D, Schmidt square-root covariance and conventional covariance propagation methods are made using weighted arithmetic operation counts. The U-D time update is shown to be less costly than the Schmidt method; and, except in unusual circumstances, it is within 20% of the cost of conventional propagation.

Thornton, C. L.↗