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An analysis is presented of the primary factors influencing the performance of a parallel implementation of the UCLA atmospheric general circulation model (AGCM) on distributed-memory, massively parallel computer systems.
High Performance Computing (HPC) applications rely heavily on code optimizations to achieve good performance on modern CPU and GPU architectures. Traditional Machine Learning auto-tuning approaches have demonstrated success in exploring high-dimensional spaces, but they often require expensive compile-run evaluations and lack adaptability for large HPC applications. The recent advances in Large Language Models (LLMs) and Agentic AI systems raise intriguing questions about the potential of these approaches to address specific optimization methodologies. This work aims to answer an essential question for the HPC community: “How Agentic AI Systems Compare to Traditional ML Autotuning Techniques?” To address this question, we present a comparative analysis between a traditional ML-based optimization approach and an Agentic AI system, evaluating their respective capabilities and limitations for loop-level optimization. In addition, we introduced a new Agentic AI system named LoopGen-AI using three different Large Language Models: GPT-4.1, Claude 4.0, and Gemini 2.5. A key finding is that LoopGen-AI achieves competitive per-formance with only a few program runs, the reasoning logs from the agents revealed that their decisions rely heavily on the combination of semantic understanding of the target kernel with dynamic feedback from the environment, highlighting a promising new dimension in performance tuning. In contrast, ML-based autotuners focus on statistical exploration, and require orders of magnitude more runs to reach peak performance. Additionally, our analysis shows that prompt engineering, particularly using Persona + Context Manager patterns, significantly impacts the effectiveness of Agentic AI. Our results indicate that while Agentic AI systems are not yet a complete replacement for ML-based autotuners, it can effectively complement traditional methods.
Error mitigation techniques are crucial to achieving near-term quantum advantage. Classical postprocessing of quantum computation outcomes is a popular approach for error mitigation, which includes methods, such as zero noise extrapolation, virtual distillation, and learning-based error mitigation. However, these techniques have limitations due to the propagation of uncertainty resulting from the finite shot number of a quantum measurement. In this work, we introduce general and unbiased methods for quantifying the uncertainty and error of error-mitigated observables based on the strategic sampling of error mitigation outcomes. We then extend our approach to demonstrate the optimization of performance and robustness of error mitigation under uncertainty. To illustrate our methods, we apply them to zero noise extrapolation and Clifford date regression in the ground state of the XY model simulated using depolarizing and International Business Machines Corporation (IBM) Toronto noise models, respectively. In particular, we optimize the choice of noise levels and the allocation of shots for zero noise extrapolation and the distribution of the training circuits for Clifford data regression. While our methods are readily applicable to any postprocessing-based error mitigation approach, in practice they must not be prohibitively expensive—even though they perform optimizations of the error mitigation hyperparameters requiring sampling of a statistical distribution of error mitigation outcomes. By leveraging surrogate-based optimization, we show that our methods can efficiently perform optimal design for a zero noise extrapolation implementation. We then further demonstrate the transferability of learned zero noise extrapolation hyperparameters to other similar circuits.
Optimal control solution for linear stationary regulator with quadratic performance index and fixed terminal time in terms of time invariant nonlinear control law
This research will investigate the use of Design-of-Experiments (DOE) in the development of an optimal passive flow control vane design for a boundary-layer-ingesting (BLI) offset inlet in transonic flow. This inlet flow control is designed to minimize the engine fan face distortion levels and first five Fourier harmonic half amplitudes while maximizing the inlet pressure recovery. Numerical simulations of the BLI inlet are computed using the Reynolds-averaged Navier-Stokes (RANS) flow solver, OVERFLOW, developed at NASA. These simulations are used to generate the numerical experiments for the DOE response surface model. In this investigation, two DOE optimizations were performed using a D-Optimal Response Surface model. The first DOE optimization was performed using four design factors which were vane height and angles-of-attack for two groups of vanes. One group of vanes was placed at the bottom of the inlet and a second group symmetrically on the sides. The DOE design was performed for a BLI inlet with a free-stream Mach number of 0.85 and a Reynolds number of 2 million, based on the length of the fan face diameter, matching an experimental wind tunnel BLI inlet test. The first DOE optimization required a fifth order model having 173 numerical simulation experiments and was able to reduce the DC60 baseline distortion from 64% down to 4.4%, while holding the pressure recovery constant. A second DOE optimization was performed holding the vanes heights at a constant value from the first DOE optimization with the two vane angles-of-attack as design factors. This DOE only required a second order model fit with 15 numerical simulation experiments and reduced DC60 to 3.5% with small decreases in the fourth and fifth harmonic amplitudes. The second optimal vane design was tested at the NASA Langley 0.3-Meter Transonic Cryogenic Tunnel in a BLI inlet experiment. The experimental results showed a 80% reduction of DPCPavg, the circumferential distortion level at the engine fan face.
This research will investigate the use of Design-of-Experiments (DOE) in the development of an optimal passive flow control vane design for a boundary-layer-ingesting (BLI) offset inlet in transonic flow. This inlet flow control is designed to minimize the engine fan-face distortion levels and first five Fourier harmonic half amplitudes while maximizing the inlet pressure recovery. Numerical simulations of the BLI inlet are computed using the Reynolds-averaged Navier-Stokes (RANS) flow solver, OVERFLOW, developed at NASA. These simulations are used to generate the numerical experiments for the DOE response surface model. In this investigation, two DOE optimizations were performed using a D-Optimal Response Surface model. The first DOE optimization was performed using four design factors which were vane height and angles-of-attack for two groups of vanes. One group of vanes was placed at the bottom of the inlet and a second group symmetrically on the sides. The DOE design was performed for a BLI inlet with a free-stream Mach number of 0.85 and a Reynolds number of 2 million, based on the length of the fan-face diameter, matching an experimental wind tunnel BLI inlet test. The first DOE optimization required a fifth order model having 173 numerical simulation experiments and was able to reduce the DC60 baseline distortion from 64% down to 4.4%, while holding the pressure recovery constant. A second DOE optimization was performed holding the vanes heights at a constant value from the first DOE optimization with the two vane angles-of-attack as design factors. This DOE only required a second order model fit with 15 numerical simulation experiments and reduced DC60 to 3.5% with small decreases in the fourth and fifth harmonic amplitudes. The second optimal vane design was tested at the NASA Langley 0.3- Meter Transonic Cryogenic Tunnel in a BLI inlet experiment. The experimental results showed a 80% reduction of DPCP(sub avg), the circumferential distortion level at the engine fan-face.
In the year 2001, NASA will launch the satellite TRIANA that will be the first Earth observing mission to provide a continuous, full disk view of the sunlit Earth. As a part of the HPCC Program at NASA GSFC, we have started a project whose objectives are to develop and implement a 3D cloud data assimilation system, by combining TRIANA measurements with model simulation, and to produce accurate statistics of global cloud coverage as an important element of the Earth's climate. For simulation of the atmosphere within this project we are using the NCEP/NOAA operational Eta model. In order to compare TRIANA and the Eta model data on approximately the same grid without significant downscaling, the Eta model will be integrated at a resolution of about 15 km. The integration domain (from -70 to +70 deg in latitude and 150 deg in longitude) will cover most of the sunlit Earth disc and will continuously rotate around the globe following TRIANA. The cloud data assimilation is supposed to run and produce 3D clouds on a near real-time basis. Such a numerical setup and integration design is very ambitious and computationally demanding. Thus, though the Eta model code has been very carefully developed and its computational efficiency has been systematically polished during the years of operational implementation at NCEP, the current MPI version may still have problems with memory and efficiency for the TRIANA simulations. Within this work, we optimize a parallel version of the Eta model code on a Cray T3E and a network of PCs (theHIVE) in order to improve its overall efficiency. Our optimization procedure consists of introducing dynamically allocated arrays to reduce the size of static memory, and optimizing on a single processor by splitting loops to limit the number of streams. All the presented results are derived using an integration domain centered at the equator, with a size of 60 x 60 deg, and with horizontal resolutions of 1/2 and 1/3 deg, respectively. In accompanying charts we report the elapsed time, the speedup and the Mflops as a function of the number of processors for the non-optimized version of the code on the T3E and theHIVE. The large amount of communication required for model integration explains its poor performance on theHIVE. Our initial implementation of the dynamic memory allocation has contributed to about 12% reduction of memory but has introduced a 3% overhead in computing time. This overhead was removed by performing loop splitting in some of the high demanding subroutines. When the Eta code is fully optimized in order to meet the memory requirement for TRIANA simulations, a non-negligeable overhead may appear that may seriously affect the efficiency of the code. To alleviate this problem, we are considering implementation of a new algorithm for the horizontal advection that is computationally less expensive, and also a new approach for marching in time.
Linear-scaling techniques for Kohn–Sham density functional theory are essential to describe the ground state properties of extended systems. Still, these techniques often rely on the localization of the density matrix or accurate embedding approaches, limiting their applicability. In contrast, stochastic density functional theory (sDFT) achieves linear- and sub-linear scaling by statistically sampling the ground state density without relying on embedding or imposing localization. In return, ground state observables, such as the forces on the nuclei, fluctuate in sDFT, making optimizing the nuclear structure a highly non-trivial problem. In this work, we combine the most recent noise-reduction schemes for sDFT with stochastic optimization algorithms to perform structure optimization within sDFT. We compare the performance of the stochastic gradient descent approach and its variations (stochastic gradient descent with momentum) with stochastic optimization techniques that rely on the Hessian, such as the stochastic Broyden–Fletcher–Goldfarb–Shanno algorithm. In conclusion, we further provide a detailed assessment of the computational efficiency and its dependence on the optimization parameters of each method for determining the ground state structure of bulk silicon with varying supercell dimensions.
This paper proposes a new topology optimization formulation for multi-functional performance of a compliant sensor structure–a wind tunnel balance. Compliant mechanism design is one of the main applications of topology optimization and plenty of successful design studies have been reported. However, design practicability is still questionable when stress concentration is critical due to complex/combined loads, especially at compliant hinge joints. In this paper, we formulate a new topology optimization formulation considering multiple loading scenarios in a compliant sensor structure design. Two separate constraints,one related to sensor performance and the other focused on structural safety in terms of maximum von Mises stress, are included in the design formulation. This formulation is to achieve excellent sensitivity of an applied axial load while maintaining structure safety with a combined general load applied which is one order higher than the axial load. This challenging problem is solved using a well-known SIMP approach with the relaxation and projection methods.
The application of an optimization method to determine the propeller blade twist distribution which maximizes propeller efficiency is presented. The optimization employs a previously developed method which has been improved to include the effects of blade drag, camber and thickness. Before the optimization portion of the computer code is used, comparisons of calculated propeller efficiencies and power coefficients are made with experimental data for one NACA propeller at Mach numbers in the range of 0.24 to 0.50 and another NACA propeller at a Mach number of 0.71 to validate the propeller aerodynamic analysis portion of the computer code. Then comparisons of calculated propeller efficiencies for the optimized and the original propellers show the benefits of the optimization method in improving propeller performance. This method can be applied to the aerodynamic design of propellers having straight, swept, or nonplanar propeller blades.
The application of an optimization method to determine the propeller blade twist distribution which maximizes propeller efficiency is presented. The optimization employs a previously developed method which has been improved to include the effects of blade drag, camber and thickness. Before the optimization portion of the computer code is used, comparisons of calculated propeller efficiencies and power coefficients are made with experimental data for one NACA propeller at Mach numbers in the range of 0.24 to 0.50 and another NACA propeller at a Mach number of 0.71 to validate the propeller aerodynamic analysis portion of the computer code. Then comparisons of calculated propeller efficiencies for the optimized and the original propellers show the benefits of the optimization method in improving propeller performance. This method can be applied to the aerodynamic design of propellers having straight, swept, or nonplanar propeller blades.
Scientific data generated at experimental and observational facilities are increasingly being processed on large-scale compute systems. Most of the experimental data analysis workflows are not designed or implemented to run on large scale environments and take full advantage of HPC compute and storage resources. These applications are unlike the traditional tightly-coupled scientific applications and hence face significant performance and scalability challenges as the volume of data increases exponentially. In this paper, we conduct a performance and scalability analysis for experimental analysis applications and workflows operating on data from light sources. Our analysis detects and quantifies I/O performance, scalability and runtime bottlenecks for three data analysis applications that run on NERSC resources. Based on our analysis we propose and implement a set of optimizations that lead to reducing the amount of time spent on I/O operations by almost 90%.
This award allowed RTX Technology Research Center to demonstrate several key objectives related to the design and manufacture of additive heat exchangers. The focus of the project was on creating a multi-physics, multi-material topology optimization tool, then using it to create an ultra-compact, optimized, fully additive heat exchanger.
Planetary protection (PP) is a discipline that focuses on minimizing the biological contamination of spacecraft to ensure compliance with international policy. Precise estimation of bioburden - the total number of microbes in or on spacecraft hardware – and the bioburden density are of utmost importance for PP. Such estimation is the way concordance with requirements is demonstrated, and it is critical for quantifying the potential risk of inadvertently contaminating other planetary bodies. Although a suite of molecular techniques have been used to thoroughly characterize and profile the microbiome of various cleanroom environments and spacecraft, the gold standard remains the physical enumeration of microbes via culturing of samples directly taken from spacecraft and associated surfaces. However, due to technical, budgetary, and programmatic constraints, only a manageable portion (around 10%) of the entire spacecraft surface is directly sampled with cotton swabs or wipes. To generate the bioburden current best estimate (CBE) for components not directly verifiable, the accepted approach is to apply a NASA-defined bioburden estimate based on the components’ manufacturing or assembly environment. This approach utilizes a prespecified bioburden density estimation that applies a maximum value across the total surface area of the specified component. For hardware components that underwent similar assembly processes, an implied bioburden is adopted for all components, based on a direct verification of a representative component within the same lot. Once all components have a CBE, the bioburden estimates are generated. In previous publication [ 1], we have shown that statistical risks quantifying the accuracy of the estimates for sampled, prespecified, and implied components can be derived and ranked. For mean squared error (MSE) function, the risks are available analytically and hence a cost function can be obtained to optimize the risks with respect to the sampling area and sampling cost. Since the sampling area and sampling cost are two complimentary variables, their sum will have a well-defined minimum. This paper presents the multivariate optimization of the integrated risk of an empirical Bayes estimator to determine the optimal sampling schedule for a given number of components. It is assumed that given a number of components, N, the bioburden density for each component can either be sampled, implied, or prespecified. The multivariate optimization searches through different options to sample, imply or prespecify the bioburden density for a component, and account for the component’s surface area and cost of sampling. The idea of the optimization is based on the observation that the statistical risk of using an estimator is a monotonically decreasing function of the sampled area. The larger the sampled area, the lower the risk of using the estimator as the estimator becomes more and more accurate as the sampling area increases. On the other hand, the cost of sampling is monotonically increasing as the sampled surface grows. This makes the risk and total cost of sampling complimentary variables which can be counterbalanced to achieve an optimal overall value with respect to the sampled surface. In this paper, the integrated risk has been used to quantify the accuracy of the estimator. This risk has been selected because it depends on neither the true value of the parameter nor on the collected data. The cost of each sample was also available to obtain the total cost of sampling of N components. The paper will present the results based on computer-simulated data as well as the data collected during the InSight mission. The computer-simulated data have N components with randomly generated total areas and each component assigned to one of the three categories according to the method of estimating of bioburden density: sampled, implied, or prespecified. The cost of sampling is also available. The cost of sampling is estimated based on a cost model provided by the planetary protection group at JPL. For this paper, the overall cost was assumed to be a linear function of exposure. The optimization process finds the allocation of the components to the three categories that minimizes the tradeoff between integrated risk and total cost. For the InSight data, a set of components is selected representing all three categories, and optimization is performed to determine if the performed allocation was optimal or if a better allocation could have been obtained. To the best of our knowledge, this work is the first attempt not only perform an accurate estimation of bioburden density but also do it in an optimal way.
NASA’s Electrified Powertrain Flight Demonstration (EPFD) project conducts ground and flight tests of integrated Megawatt (MW) class hybrid-electric powertrain systems on regional turboprop aircraft demonstrators. To meet the increased demand for assessment of potential capabilities and benefits from these novel vehicle configurations, NASA is developing tooling and models to estimate the performance of hybridized regional turboprops. This paper covers the development of a parametrically driven performance model for a De Havilland Canada Dash 8-400 (Q400) regional turboprop integrated with a novel parallel hybrid architecture using the Gascon framework. Gascon is a modern reimplementation of the General Aviation Synthesis Program (GASP) built using the Condor mathematical modeling framework in Python. Within Gascon, a parametric representation of the parallel hybrid architecture was synthesized, which features the electric motor coupled to the power turbine. This capability allows for in-the-loop optimization of the parametric parallel hybrid architecture to characterize the mission capabilities and fuel savings of the design and determine optimal power scheduling strategies for efficient electric power management for a given mission. The study shows that a fuel savings of up to 20% can be achieved, but that increased fuel savings comes at the expense of payload capacity.
NASA’s Electrified Powertrain Flight Demonstration (EPFD) project conducts ground and flight tests of integrated Megawatt (MW) class hybrid-electric powertrain systems on regional turboprop aircraft demonstrators. To meet the increased demand for assessment of potential capabilities and benefits from these novel vehicle configurations, NASA is developing tooling and models to estimate the performance of hybridized regional turboprops. This paper covers the development of a parametrically driven performance model for a De Havilland Canada Dash 8-400 (Q400) regional turboprop integrated with a novel parallel hybrid architecture using the Gascon framework. Gascon is a modern reimplementation of the General Aviation Synthesis Program (GASP) built using the Condor mathematical modeling framework in Python. Within Gascon, a parametric representation of the parallel hybrid architecture was synthesized, which features the electric motor coupled to the power turbine. This capability allows for in-the-loop optimization of the parametric parallel hybrid architecture to characterize the mission capabilities and fuel savings of the design and determine optimal power scheduling strategies for efficient electric power management for a given mission. The study shows that a fuel savings of up to 20% can be achieved, but that increased fuel savings comes at the expense of payload capacity.
Progress towards achieving net gain from nuclear fusion is typically characterized by the triple product 𝑛𝑇𝜏. Although stellarators have several benefits for a reactor, such as the inherent steady-state capability and the lack of disruptions, the maximum achieved triple product has historically lagged behind that of tokamaks. In the large optimized stellarator Wendelstein 7-X, a triple product of (1.10 ± 0.15) × 10 20 m −3 keVs has recently been achieved and held stable for 1.9 s. This marks an important step in stellarator core plasma performance and puts it in line with 𝐻-mode performance in similar sized tokamaks. The progress in Wendelstein 7-X performance is due to the suppression of ion-temperature-gradient turbulence by strong density gradients. In the record case, these are maintained by a fine balance of the core particle transport and central fueling using neutral beam injection. The duration of the scenario was limited in time only by technical restrictions of the neutral beam injectors and control of the divertor heat loads. This paper presents the result in the context of the leading magnetic confinement devices along with details of the scenario.
A solar absorption cooling system consisting of a flat plate collector, thermal energy storage tank, and absorption chiller is analyzed in this work. A dimensionless model is developed from the energy balance on each component and the chiller's characteristic performance curves. The model is used to determine the interaction and influence of different parameters such as tank size, solar collector area, chiller size, cooling load, cooling temperature, heat loss, and mass flow rates on the performance. From the analysis, smaller solar collector areas are required for lower cooling loads and smaller tank volumes. A specific cooling load of 1 x 10^-5 will require a specific solar collector area between two and six times larger, depending on the initial tank temperature, than the area required for a baseline system that considers typical commercial design and operation parameters. A similar behavior was observed for the specific tank volume. For the baseline system, the minimum specific area of the collector of 9.57 is achieved for an initial tank temperature of 1.19. For a cooling load of 1 x 10^-5, the optimum initial tank temperature will be 1.11 that results in a minimum specific solar collector area of 25.26. A specific tank volume of 4 x 10^-4 will also have an optimum initial tank temperature of 1.11 that minimizes the specific solar collector area to a value of 28.18. The approach and analysis in this work can be used to determine design parameters for solar absorption cooling systems based on a proper relation among system's dimensions to achieve optimum operation.