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2014 HPC Annual Report

Our commitment is to support you through delivery of an IT environment that provides mission value by transforming the way you use, protect, and access information. We approach this through technical innovation, risk management, and relationships with our workforce, Laboratories leadership, and policy makers nationwide. This second edition of our HPC Annual Report continues our commitment to communicate the details and impact of Sandia’s large-scale computing resources that support the programs associated with our diverse mission areas. A key tenet to our approach is to work with our mission partners to understand and anticipate their requirements and formulate an investment strategy that is aligned with those Laboratories priorities. In doing this, our investments include not only expanding the resources available for scientific computing and modeling and simulation, but also acquiring large-scale systems for data analytics, cloud computing, and Emulytics. We are also investigating new computer architectures in our advanced systems test bed to guide future platform designs and prepare for changes in our code development models. Our initial investments in large-scale institutional platforms that are optimized for Informatics and Emulytics work are serving a diverse customer base. We anticipate continued growth and expansion of these resources in the coming years as the use of these analytic techniques expands across our mission space. If your program could benefit from an investment in innovative systems, please work through your Program Management Unit ’s Mission Computing Council representatives to engage our teams.

97 MATHEMATICS AND COMPUTING↗

Neuromorphic learning of continuous-valued mappings from noise-corrupted data. Application to real-time adaptive control

The ability of feed-forward neural network architectures to learn continuous valued mappings in the presence of noise was demonstrated in relation to parameter identification and real-time adaptive control applications. An error function was introduced to help optimize parameter values such as number of training iterations, observation time, sampling rate, and scaling of the control signal. The learning performance depended essentially on the degree of embodiment of the control law in the training data set and on the degree of uniformity of the probability distribution function of the data that are presented to the net during sequence. When a control law was corrupted by noise, the fluctuations of the training data biased the probability distribution function of the training data sequence. Only if the noise contamination is minimized and the degree of embodiment of the control law is maximized, can a neural net develop a good representation of the mapping and be used as a neurocontroller. A multilayer net was trained with back-error-propagation to control a cart-pole system for linear and nonlinear control laws in the presence of data processing noise and measurement noise. The neurocontroller exhibited noise-filtering properties and was found to operate more smoothly than the teacher in the presence of measurement noise.

Troudet, Terry↗

Advanced Control Considerations for Turbofan Engine Design

This paper covers the application of a model-based engine control (MBEC) methodology featuring a self tuning on-board model for an aircraft turbofan engine simulation. The nonlinear engine model is capable of modeling realistic engine performance, allowing for a verification of the advanced control methodology over a wide range of operating points and life cycle conditions. The on-board model is a piece-wise linear model derived from the nonlinear engine model and updated using an optimal tuner Kalman Filter estimation routine, which enables the on-board model to self-tune to account for engine performance variations. MBEC is used here to show how advanced control architectures can improve efficiency during the design phase of a turbofan engine by reducing conservative operability margins. The operability margins that can be reduced, such as stall margin, can expand the engine design space and offer potential for efficiency improvements. Application of MBEC architecture to a nonlinear engine simulation is shown to reduce the thrust specific fuel consumption by approximately 1% over the baseline design, while maintaining safe operation of the engine across the flight envelope.

control↗

Mars Sample Return (MSR) Sample Receiving Facility (SRF) Assessment Study (MSAS)

NASA, in partnership with the European Space Agency (ESA), is seeking to return Martian geological and atmospheric samples to Earth for scientific study in the early 2030s. Due to the possibility that the samples could contain extraterrestrial life, Mars Sample Return (MSR) is classified as a Category V: Restricted Earth Return mission by the NASA Planetary Protection Office. As a result of this classification, a MSR Sample Receiving Facility (SRF) must not only provide a pristine environment to ensure samples are protected from terrestrial contamination for scientific investigations, it must also provide high-containment (biosafety level 4 [BSL-4]-equivalence) to isolate the samples from Earth’s biosphere until the samples are deemed safe for release and/or sterilized. The nominal utilization period for a SRF is anticipated to be 2-5 years and is intended to enable curation activities, biohazard assessment, select early science activities, and the rapid release of samples to the scientific community. However, to account for possible delays in schedule or the identification of extant life, this anticipated period of time must be flexible to accommodate schedule extensions and contingency plans. Due to requirements for high-level biological containment and cleanliness, a traditional receiving/curation facility cannot be utilized for MSR. Therefore, beginning in 2022, NASA Johnson Space Center is performing a MSR SRF Assessment Study (MSAS) to investigate the most optimal facility modality for a MSR SRF, as well as start to define programmatic early estimate of costs and schedules before the initial design phase begins. NASA is partnering with industry contractors (architectural and engineering firms with BSL-4 and cleanroom technology experience, as well as other contracted infrastructure and construction specialists) along with selected experts from NASA, ESA, existing U.S. BSL-4 facilities, and other U.S. government agencies, to carry out the assessment study. The MSAS should also aid in the future refinement of the science requirements (e.g., contamination control, equipment accommodations) before site-specific design would commence. As part of the MSAS, NASA is planning to assess an array of possibilities for a MSR SRF. One of the main considerations is the facility modality and whether an existing BSL-4 facility can be utilized (for some or all functions); or, if new constructure would be required, would a traditional fixed facility or a modular facility the best choice. MSAS will also investigate the ability of the modalities to accommodate two different facility capability endmembers: 1) a minimal facility focusing on biohazard assessment and curation tasks with a small footprint, and 2) an enhanced facility with additional capabilities to enable expedited processing and the completion of time-sensitive and (some) sterilization-sensitive science. The assessment is intended to generate information that will inform the selection of facility modalities for high-level conceptual design development. While the assessment study will focus on SRF requirements for accommodating curation, science, and sample safety assessment infrastructure, it will also consider an array of other factors, such as ease of access for international users, decommissioning, repurposing, future sale or lease following MSR’s use of the facility, and uncontained preparatory laboratory spaces. Upon completion of the study, the preferred modality and refined requirements would be utilized for site-specific design but will not be finalized until NASA’s completion of the National Environmental Policy Act (NEPA) process.

A.D. Harrington↗

Efficient Parallelization of Irregular Applications on GPU Architectures

With the enlarging computation capacity of general Graphics Processing Units (GPUs), leveraging GPUs to accelerate parallel applications has become a critical topic in academia and industry. However, a wide range of irregular applications with the computation-/memory-intensive nature cannot easily achieve high GPU utilization. The challenges mainly involve the following aspects: first, data dependence leads to coarse-grained kernel and inefficient parallelism; second, heavy GPU memory usage may cause frequent memory evictions and extra overhead of I/O; third, specific computation patterns produce memory redundancies; last, workload balance and data reusability conjunctly benefit the overall performance, but there may exist a dynamic trade-off between them. Targeting these challenges, this dissertation proposes multiple optimizations to accelerate two real-world applications: many-body correlation functions to simulate nuclear physics in a large-scale scientific system; the other is the eALS-based matrix factorization recommendation system. To accelerate the calculations of many-body correlation functions, this dissertation presents three frameworks in GPU memory management and multi-GPU scheduling. Firstly, an optimized systematic GPU memory management framework, MemHC, utilizes a series of new memory reduction designs in GPU memory allocation, CPU/GPU communications, and GPU memory oversubscription. Secondly, an enhanced multi-GPU scheduling framework, MICCO, particularly by taking both data dimension (e.g., data reuse and data eviction) and computation dimension into account. MICCO designs a heuristic scheduling algorithm and a machine learning-based regression model to generate the optimal settings of a proposed new concept to manage the trade-off. Thirdly, a locality-aware multi-GPU scheduling framework. This scheduler leverages pipeline batch generation with a looking-ahead strategy by building local dependency graphs for memory transfer reduction and better data reuse, achieving up to 79.92% memory cost reduction and 1.67x speedup. To parallelize the eALS-based recommendation system, this dissertation proposes an efficient CPU/GPU heterogeneous recommendation system, HEALS. HEALS employs newly designed architecture-adaptive data formats to achieve load balance and good data locality on CPU and GPU. To mitigate the data dependence, HEALS presents a CPU/GPU collaboration model for both task parallelism and data parallelism with multiple kernel computation optimizations. In summary, this dissertation efficiently accelerates two typical irregular applications on GPUs by building four frameworks, including CPU/GPU collaboration, GPU memory management, and multi-GPU scheduling.

Wang, Qihan↗

Networked Control and Optimization for Widescale Integration of Power Electronic Devices in Residential Homes

Power electronics devices are emerging at residential houses, including electric vehicles, energy storage systems, solar photovoltaic systems, and variable-speed air conditioners. Little work has been done on scalable and end-to-end architectures for integrating and engaging large number of residential behind-the-meter assets to provide grid services. In this paper, a framework for integration of a demand management system, home energy management system, and residential smart inverters is presented. Full measured results of inverter response to control signals is also presented.

Starke, Michael↗

HydraGNN_Predictive_GFM_2024 - Ensemble of predictive graph foundation models for ground state atomistic materials modeling

We provide the ensemble of fifteen pre-trained graph foundation models (GFMs) for atomistic materials modeling applications. Each one of the fifteen GFMs has been trained on five open-source datasets that (once aggregated) amount to over 154 million atomistic structures, which cover over two-thirds of the natural elements of the periodic table and that comprises a broad set of organic and inorganic compounds. This vast set of atomistic structures comprises ground state configurations that are dynamically stable (i.e., equilibrated structures with atomic forces approximately close to zero values) as well as dynamically unstable structures (i.e., non-equilibrium structures with non-negligible non-zero values of atomic forces). The ensemble of datasets aggregated does NOT include excited states. The datasets have been curated to remove atomistic structures with spectral norm of the force tensor above 100 eV/angstrom. Moreover, a linear term of the energy was computed for each dataset using a linear regression model that uses the chemical concentration of each natural element as regressor. The linear term predicted by the linear regression model has been subtracted from each original energy value to perform a re-alignment of the energy values across different electronic structures approximation theories performed to generate the diverse multi-source, multi-fidelity datasets. The folder "ADIOS_files" contains the set of pre-processed datasets in Adaptable I/O System (ADIOS) format (https://www.exascaleproject.org/research-project/adios/) that have been used for the development and training of GFMs in this work. The "ADIOS_files" directory contains 6 sub-directories named as follows: - ANI1x-v3.bp - MPTrj-v3.bp - OC2020-20M-v3.bp - OC2020-v3.bp - OC2022-v3.bp - qm7x-v3.bp Each sub-directory contains the pre-processed datasets converted in Adaptable I/O System (ADIOS) format (https://www.exascaleproject.org/research-project/adios/) that have been used to the development, training, and performance testing of the ensemble go predictive graph foundation models. Each GFM was developed using HydraGNN (https://github.com/ORNL/HydraGNN) as underlying graph neural network (GNN) architecture. The multi-task learning (MTL) capability of HydraGNN was used to simultaneously train the GFMs on labeled values for direct predictions of energy (a total system property of an atomistic structure that measures the chemical stability) and atomic forces (an atomic level property of an atomistic structure that measures the dynamical stability). The hyper parameters of the GFM have been tuned using scalable hyperparameter optimization (HPO) algorithms implemented in the software DeepHyper (https://github.com/deephyper/deephyper). The pre-training of each HPO trial was performed using distributed data parallelism (DDP) to scale the training across 128 compute nodes of the exascale OLCF supercomputer Frontier. Each HPO trial was trained only for 10 epochs and an early stopping was performed to avoid wasting significant computational resources on GNN architectures that were clearly underperforming. For each HPO trial, the 'omnistat' tool developed by (AMD Research - Advanced Micro Device) was used to measure the total energy consumption in kWh. The ensemble of GFMs was obtained by selecting the fifteen best performing HPO trials. Four models have been selected for their clear advantage in accuracy, and these are the GFMs with IDs 229, 156, 147, 260. Additional eleven models have been selected based on judicious balance between accuracy and energy consumption needed for training, and these are the GFMs with IDs 165, 78, 137, 1, 175, 171, 181, 67, 179, 167, 351. Each selected GFM of the ensemble was continued to cumulate a total of at most 30 epochs. In some cases, the total number of epochs actually performed was les than 30 due to two combined factors: (1) the size of the GFM (i.e., the number of model parameters to train) and (2) the total wall-clock time for which the computational resources could be allocated on OLCF-Frontier. The "Ensemble_of_models" directory contains 15 sub-directories named as follows: - gfm_0.229 - gfm_0.156 - gfm_0.147 - gfm_0.260 - gfm_0.165 - gfm_0.78 - gfm_0.137 - gfm_0.1 - gfm_0.175 - gfm_0.171 - gfm_0.181 - gfm_0.67 - gfm_0.179 - gfm_0.167 - gfm_0.351 Each one of these sub-directories refers to one of the fifteen HPO trials that have been selected to continue the pre-training with at most 30 epochs. With each sub-directory associated with a specific HPO trial, the following files can be found: - config.json: file for argument parsing to develop and train an HydraGNN architecture - gfm_0.ID_epoch_N.pk: file with model parameters for HPO ID trial after N epochs of training The ensemble of fifteen GFM architectures was used for (1) ensemble averaging to stabilize the predictions of energy and atomic forces after pre-training for post-processing analysis and (2) ensemble uncertainty quantification (UQ). The code used to develop, pre-train, and load the pre-trained models for post-processing analysis is available on the ORNL-GitHub at the following link: https://github.com/ORNL/HydraGNN/tree/Predictive_GFM_2024

36 MATERIALS SCIENCE↗

A Hardware and Software Co-design Framework for Energy Efficient Neuromorphic Systems

Neuromorphic systems can be realized by a variety of algorithms and architectures. A common understanding is that spiking neuromorphic designs, which encode information into spatio-temporal spiking events, are both a biologically-accurate and efficient way of processing information. However, representing the information through timing relationships induces sophisticated circuit designs in traditional CMOS-based implementations. In recent years, high-capacity resistive memory (RRAM, aka, memristor) has demonstrated great potential in mimicking synaptic behaviors. Several RRAM-based spiking neuromorphic designs exist, most of which focus on rate coding schemes. These designs simplify circuit implementations of neuron models and explore challenges such as unsatisfactory speed, resolution, and performance. As an alternative, we will explore temporal coding spiking neuromorphic systems that encode information as the relative timing of neuron activations (spikes), which have been proven to be more adaptive and energy-efficient. Developing a neuromorphic system for spiking neural network (SNN) inference and online training, however, faces some major technical challenges: (1) It lacks circuit implementation support for temporal-coding SNN to achieve satisfying power efficiency and accuracy; (2) Although existing research works have investigated memristive synapse and neuron designs for spike-timing-dependent plasticity, the non-ideal conditions in implementation, such as device variations and signal degradation, degrade online learning accuracy of large scale systems; and (3) Non-optimized, inter-layer data traffic in SNNs, leads to unnecessary data communication costs. In this project, we plan to address these challenges by a hardware and software co-design framework that incorporates solutions at the circuit, architecture, and algorithm levels. At the circuit-level, we will elaborate on the in-situ SNN processing element designs for supporting both inference and online training modes. Variation-aware schemes will be studied to improve reliability. At the architecture level, we propose a pipelined, asynchronous architecture to retain the timing resolution of spikes. At the algorithm level, we will investigate an innovative SNN training algorithm for enabling activation sparsification and reducing unnecessary data communication costs. This neuromorphic system will provide an effective solution to real-life energy-constrained applications and significantly contribute to the exploration of next-generation high-performance computing systems under the DOE context.

97 MATHEMATICS AND COMPUTING↗

Experimental study of airpath electrification in an opposed-piston two stroke (OP2S) engine architecture

The opposed-piston two stroke (OP2S) engine shows potential as an alternative engine architecture to the conventional four stroke engine due to its high-power density, thermal efficiency, and versatile airpath management system. Since the pistons of a two-stroke engine do not pump the air into and out of the cylinder like in a four-stroke engine, the selection of the air induction devices and airpath actuators becomes critical to optimize engine performance. Both the pumping losses and the in-cylinder combustion process can be affected by the scavenging process in a two-stroke engine. Therefore, this study compares two different airpath configurations for the same family of OP2S engines and investigates performance metrics like scavenging control, pumping work, net indicated and brake efficiencies, and engine-out emissions associated with each airpath. Data was collected on a 3.2 L, two-cylinder OP2S engine with an electrically assisted turbocharger (EAT) and a 4.9 L displacement, three-cylinder engine with a variable geometry turbocharger (VGT) and a supercharger. The experiments consisted of speed and load sweeps for both engines at the same operating conditions to compare scavenge control in both architectures. For the three-cylinder layout, the SE sweep range was much higher, and the intake pressure could be independently varied with air flowrate, thus providing more flexibility for scavenging control. The supercharger and the VGT usage was optimized based on its efficiency map and thus, this layout had lower pumping losses compared to the EAT. The two-cylinder engine had a higher overall SE as compared to the three-cylinder engine, but the intake pressure and air flowrate could not be decoupled, leading to over scavenging and increased short circuiting of fresh charge into the exhaust.

Bhatt, Ankur [Clemson University, Clemson, SC, USA↗

Porting DMRG++ Scientific Application to OpenPOWER

With the rapidly changing microprocessor designs and architectural diversity (multi-cores, many-cores, accelerators) for the next generation HPC systems, scientific applications must adapt to the hardware, to exploit the different types of parallelism and resources available in the architecture. To get the benefit of all the in-node hardware threads, it is important to use a single programming model to map and coordinate the available work to the different heterogeneous execution units in the node (e.g., multi-core hardware threads (latency optimized), accelerators (bandwidth optimized), etc.).Our goal is to show that we can manage the node complexity of these systems by using OpenMP for in-node parallelization by exploiting different “programming styles” supported by OpenMP 4.5 to program CPU cores and accelerators. Finding out the suitable programming-style (e.g., SPMD style, multi-level tasks, accelerator programming, nested parallelism, or a combination of these) using the latest features of OpenMP to maximize performance and achieve performance portability across heterogeneous and homogeneous systems is still an open research problem.We developed a mini-application, Kronecker Product (KP), from the original DMRG++ application (sparse matrix algebra) computational motif to experiment with different OpenMP programming styles on an OpenPOWER architecture and present their results in this paper.

Chatterjee, Ronnie↗

Variational quantum reinforcement learning via evolutionary optimization

Abstract Recent advances in classical reinforcement learning (RL) and quantum computation point to a promising direction for performing RL on a quantum computer. However, potential applications in quantum RL are limited by the number of qubits available in modern quantum devices. Here, we present two frameworks for deep quantum RL tasks using gradient-free evolutionary optimization. First, we apply the amplitude encoding scheme to the Cart-Pole problem, where we demonstrate the quantum advantage of parameter saving using amplitude encoding. Second, we propose a hybrid framework where the quantum RL agents are equipped with a hybrid tensor network-variational quantum circuit (TN-VQC) architecture to handle inputs of dimensions exceeding the number of qubits. This allows us to perform quantum RL in the MiniGrid environment with 147-dimensional inputs. The hybrid TN-VQC architecture provides a natural way to perform efficient compression of the input dimension, enabling further quantum RL applications on noisy intermediate-scale quantum devices.

97 MATHEMATICS AND COMPUTING↗

Probabilistic Machine Learning Estimation of Ocean Mixed Layer Depth from Dense Satellite and Sparse In-Situ Observations

The ocean mixed layer plays an important role in the coupling between the upper ocean and atmosphere across a wide range of time scales. Estimation of the variability of the ocean mixed layer is therefore important for atmosphere-ocean prediction and analysis. The increasing coverage of in situ Argo profile data allows for an increasingly accurate analysis of the mixed layer depth (MLD) variability associated with deviations from the seasonal climatology. However, sampling rates are not sufficient to fully resolve subseasonal (<90 day) MLD variability. Yet, many multivariate observations-based analyses include implicit modeled subseasonal MLD variability. One analysis method is optimal interpolation of in situ data, but the interior analysis can be improved by leveraging surface data with regression or variational approaches. Here, we demonstrate how machine learning methods and satellite sea surface temperature, salinity, and height facilitate MLD estimation in a pilot study of two regions: the mid-latitude southern Indian and the eastern equatorial Pacific Oceans. We construct multiple machine learning architectures to produce weekly 1/2° gridded MLD anomaly fields (relative to a monthly climatology) with uncertainty estimates. We test multiple traditional and probabilistic machine learning techniques to compare both accuracy and probabilistic calibration. We validate our methodology by applying it to ocean model simulations. We find that incorporating sea surface data through a machine learning model improves the performance of spatiotemporal MLD variability estimation compared to optimal interpolation of Argo observations alone. These preliminary results are a promising first step for the application of machine learning to MLD prediction.

Machine Learning↗

Reconfigurable Model Execution in the OpenMDAO Framework

NASA's OpenMDAO framework facilitates constructing complex models and computing their derivatives for multidisciplinary design optimization. Decomposing a model into components that follow a prescribed interface enables OpenMDAO to assemble multidisciplinary derivatives from the component derivatives using what amounts to the adjoint method, direct method, chain rule, global sensitivity equations, or any combination thereof, using the MAUD architecture. OpenMDAO also handles the distribution of processors among the disciplines by hierarchically grouping the components, and it automates the data transfer between components that are on different processors. These features have made OpenMDAO useful for applications in aircraft design, satellite design, wind turbine design, and aircraft engine design, among others. This paper presents new algorithms for OpenMDAO that enable reconfigurable model execution. This concept refers to dynamically changing, during execution, one or more of: the variable sizes, solution algorithm, parallel load balancing, or set of variables-i.e., adding and removing components, perhaps to switch to a higher-fidelity sub-model. Any component can reconfigure at any point, even when running in parallel with other components, and the reconfiguration algorithm presented here performs the synchronized updates to all other components that are affected. A reconfigurable software framework for multidisciplinary design optimization enables new adaptive solvers, adaptive parallelization, and new applications such as gradient-based optimization with overset flow solvers and adaptive mesh refinement. Benchmarking results demonstrate the time savings for reconfiguration compared to setting up the model again from scratch, which can be significant in large-scale problems. Additionally, the new reconfigurability feature is applied to a mission profile optimization problem for commercial aircraft where both the parametrization of the mission profile and the time discretization are adaptively refined, resulting in computational savings of roughly 10% and the elimination of oscillations in the optimized altitude profile.

Hwang, John T.↗

Autonomous In-space Construction, Maintenance, and Reconfiguration Using Programmable Meta-Material

NASA ARC's Coded Structures Laboratory (CSL) is developing autonomous construction, maintenance, and reconfiguration technologies to meet long-duration and deep space infrastructure needs, in accordance with long-term NASA goals of "in-space reliance" and "mass-less exploration." We seek to achieve these capabilities by utilizing a "programmable meta-material" approach that integrates emerging advances in materials (mechanical meta-materials), manufacturing (cooperative mobile robotics), and autonomy (multi-agent planning algorithms). Through the ARMADAS project, we have shown assembly of high-performance engineered cellular materials using multiple cooperating mobile robotic assemblers. In this paper, we describe how such a programmable meta-material architecture may shift the paradigm of how we design, build, manufacture, and operate future space infrastructure and assets. The core of a programmable meta-material architecture consists of 3 main technology sub-areas: the structure, the assembly agents, and the assembly algorithms. We co-design these systems to ensure an adaptable system that can create and reconfigure structures from a base set of building block components. From this core technology, we can branch out and expand the capability of the system through additional secondary component types and robotic agents to perform activities such as inspections, maintenance, repair, payload installation, or perform power and communications interconnect. As these technologies mature, future designers will be able to utilize the system to rapidly integrate and operate assets in space or on planetary surfaces from a set of well-tested part library, or create their own modules to integrate into the system. A core trait to the development of this system is the automation approach. Because of the modular and functional discrete (pixel-like) nature of the structural system, a diverse set of powerful algorithms for analysis, planning, and simulation can be adapted and leveraged to optimize construction, maintenance, and dynamic reorganization (as hardware with programmable form and function). With an ability to free the design space from launch vehicle constraints and fundamentally shift how a mission is designed and conducted, we discuss the influence of a programmable meta-material architecture on mission design, build, and operations. For the "design phase", we discuss project lifecycle effects, costs, time, and performance. For the "build phase", we discuss reusability, ISRU, manufacturing, material logistics, and scalability. And for "operations", we discuss autonomy, maintenance and upgrades, reliability, and reconfiguration. Autonomy and modularity are the primary enabling traits of this system. Engineering systems that utilize a modular and reconfiguration building block approach such as digital communication and computation systems, currently lead all other areas of technology in size and complexity scalability. NASA is extending the benefits and flexibility of digital systems to hardware systems, to optimize materials lifecycle management and expand our space exploration mission capabilities.

in space assembly↗

Distributed Spacecraft Mission (DSM) Plume Design Reference Mission (DRM) Inter-Satellite Link Modeling, Analysis and Simulation

NASA Goddard Space Flight Center (GSFC) Radical Innovation Initiative (RI2) plans to focus intently on DSM capability advancements in FY22-24. A DSM mission involves multiple spacecraft, arranged in a constellation, to achieve one or more common goals via the use of inter-satellite links (ISL) between the satellites. Recently, the GSFC Internal Research & Development (IRAD) program established Enceladus as a design reference mission (DRM) for the current DSM effort to foster the conceptual development of communication architecture, requirements, and solutions for future DSM ISL, as well as being able to push other research areas of interest. Enceladus is an icy moon of the planet Saturn. The DRM Enceladus mission concept involves a constellation of 24 small satellites, orbiting Enceladus around 100 km altitude in 3 planes, as observing nodes for science measurement. The mission science data will be sent back to Earth through a relay orbiting Saturn, using the constellation’s inter-satellite links. A QualNet/STK simulation model of the Relay and constellation ISL optical and RF links is developed for the design and optimization of the link and orbital parameters, as well as the inter-networking protocols. Delay Tolerant Networking (DTN) is utilized in the application layer modeling. This paper describes the plume DRM mission concept of an Enceladus constellation to relay science data to Earth and includes the proposed communication architecture and operation concepts. We present details of the QualNet/STK engineering model for this communication scenario to simulate the end-to-end data traffic through multiple layers (physical, data link, networking, transport and application). A link analysis for the constellation’s ISL, constellation to Relay and Direct to Earth (DTE) optical link is provided and discussed. The results of end-to-end traffic simulation for the data throughout/latency evaluation and assessment of the communication architecture are presented. The investigation of the concept of optical multiple access (OMA) for the Plume DRM is discussed. The modeling and simulation methodology developed in this paper is applicable to other DSMs in near Earth and deep space such as Earth-Moon L1/L2 and Lunar regions.

Distributed Spacecraft Mission (DSM) Inter-satelli↗

Genetic Algorithm for Optimization of Neural Networks for Bayesian Inference of Model Uncertainty

The objective of this work was to develop a genetic optimization algorithm that can design a neural network capable of producing uncertainty estimates along with predictions. This algorithm is necessary because the inclusion of uncertainty modeling in a neural network greatly complicates the network’s design space, making the development of a converging model extremely difficult and time consuming. The genetic algorithm presented in this work uses a number of value ranges for various configurable neural network parameters to create a randomly generated population of network architectures. The initially generated population is then evolved over the course of several generations, with the best performing models breeding to produce novel network configurations. Mutations are randomly applied to the network designs to facilitate the development of adaptations beneficial to the task being performed. An experiment was conducted to validate the proposed algorithm, in which the genetic optimizer was tasked with producing a neural network capable of predicting the sound pressure level (SPL) resulting from jet-surface interaction (JSI) noise. The data used for this task was generated at the NASA Glenn Research Center in the Aero-Acoustic Propulsion Laboratory. Starting with an initial population size of 35 randomly generated networks, and evolved over the course of 10 generations, the genetic algorithm produced a design able to predict SPL as a result of JSI noise within 0.272 dB, on average.

Genetic algorithm↗

MnO{sub 2}@colloid carbon spheres nanocomposites with tunable interior architecture for supercapacitors

Graphical abstract: - Highlights: • MnO{sub 2}@CSs nanocomposites have been successfully synthesized in room temperature. • The composites exhibited three structures: core–shell, yolk–shell and hollow structure. • The yolk–shell structure exhibited a high specific capacitance and cycling stability. - Abstract: MnO{sub 2}@colloid carbon spheres nanocomposites with tunable interior architecture have been synthesized by a facile and cost-effective strategy at room temperature. The structure and morphology of as-prepared nanocomposites were characterized by X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), nitrogen adsorption, focused ion beam scanning electron microscopy (FIB/SEM) and high-resolution transmission electron microscopy (HRTEM). The as-obtained composites exhibited a three-dimensional architecture with core–shell, yolk–shell and hollow interior structure. Furthermore, the electrochemical properties of composites were evaluated by cycle voltammetric (CV) and galvanostatic charge–discharge measurements. The yolk–shell structure exhibited the optimized pseudocapacitance performance, revealing a specific capacitance (273 F g{sup −1}) with a good rate and cycling stability, owing to its unique structure and the poor crystallinity of MnO{sub 2} nanofilms. Therefore, this facile synthetic strategy could be useful to design and synthesis of tunable nanostructures with enhanced supercapacitor behavior.

36 MATERIALS SCIENCE↗

Compiler-based code generation and autotuning for geometric multigrid on GPU-accelerated supercomputers

GPUs, with their high bandwidths and computational capabilities are an increasingly popular target for scientific computing. Unfortunately, to date, harnessing the power of the GPU has required use of a GPU-specific programming model like CUDA, OpenCL, or OpenACC. Thus, in order to deliver portability across CPU-based and GPU-accelerated supercomputers, programmers are forced to write and maintain two versions of their applications or frameworks. In this paper, we explore the use of a compiler-based autotuning framework based on CUDA-CHiLL to deliver not only portability, but also performance portability across CPU- and GPU-accelerated platforms for the geometric multigrid linear solvers found in many scientific applications. We also show that with autotuning we can attain near Roofline (a performance bound for a computation and target architecture) performance across the key operations in the miniGMG benchmark for both CPU- and GPU-based architectures as well as for a multiple stencil discretizations and smoothers. We show that our technology is readily interoperable with MPI resulting in performance at scale equal to that obtained via hand-optimized MPI+CUDA implementation.

97 MATHEMATICS AND COMPUTING↗