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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,153 records · Page 64
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Preshaping clear glass at low temperatures

Advances in available glass chemistries and glass processing methods have accompanied and enabled some of the biggest technology revolutions, from the development and mass production of light bulbs to low-loss fiber optics and durable smartphone touchscreens. An emerging generation of low-temperature processing technologies aims to continue this important trend and make a broader array of glass components mass producible. In the issue, Mader et al. (1) describe one such innovation in glass processing—the use of low-temperature injection molding to preshape silica particle–filled composites that can later be transformed into transparent fused silica glass objects. Traditionally, transparent glass objects are manufactured in high volume from molten or softened glass, which is floated, drawn, blown, cast, or blow-molded to a desired shape (see the figure, top). The glass composition and processing technique dictate the working temperature, which is usually quite high (near 1000°C) and often restricts the choice of compatible equipment or limits the choice of glass composition. Because geometry-specific capital investment is required for production, drastic or frequent component design changes or small batches may be cost prohibitive. Alternatively, transparent glass components can also be shaped at ambient temperature from solid glass by a series of subtractive processes, including cutting or multiple stages of grinding, followed by slower processing steps, such as polishing or etching. This approach is somewhat less amenable to mass production, and certain geometries containing tool-inaccessible regions cannot be fabricated in this way. Several emerging glass-shaping technologies aim to reduce the required manufacturing temperatures and still provide access to a broader range of glass compositions and component geometries (see the figure). These approaches use a three-step process. First, a desired shape is preformed at low temperature from a glass-forming, organic-inorganic composite. Next, the preform is dried, and organic materials used to bind particles are removed. Finally, the preform is heated (sintered) well below the glass-melting temperature to densify to transparent glass. Although the second and third steps do occur at increased temperatures, only standard, geometry-agnostic driers and furnaces are required. This strategy builds on the well-studied sol-gel approach to forming monolithic glass, where silica network–forming chemical solutions are poured into molds, slowly dried, and condensed into dense glass without melting (2). In a departure from the sol-gel process, these new technologies use solvents, cross-linkers, and polymers to formulate organic-inorganic composites tuned for compatibility with a particular shaping process, with formats ranging from photocurable liquids to shear-thickening pastes to solids. The composite inorganic loadings are also typically higher than those in the pure sol-gel approach, which drastically reduces shrinkage in comparison.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Cyanobacteria newly isolated from marine volcanic seeps display rapid sinking and robust, high-density growth

Cyanobacteria are photosynthetic organisms that play important roles in carbon cycling and are promising bioproduction chassis. Here, we isolate two novel cyanobacteria with 4.6Mbp genomes, UTEX 3221 and UTEX 3222, from a unique marine environment with naturally elevated CO₂. We describe complete genome sequences for both isolates and, focusing on UTEX 3222 due to its planktonic growth in liquid, characterize biotechnologically relevant growth and biomass characteristics. UTEX 3222 outpaces other fast-growing model strains on a solid medium. It can double every 2.35 hours in a liquid medium and grows to high density (>31 g/L biomass dry weight) in batch culture, nearly double that of Synechococcus sp. PCC 11901, whose high-density growth was recently reported. In addition, UTEX 3222 sinks readily, settling more quickly than other fast-growing strains, suggesting favorable economics of harvesting UTEX 3222 biomass. These traits may make UTEX 3222 a compelling choice for marine carbon dioxide removal (CDR) and photosynthetic bioproduction from CO₂. Overall, we find that bio-prospecting in environments with naturally elevated CO₂ may uncover novel CO₂-metabolizing organisms with unique characteristics.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

A Genome-Scale Atlas Reveals Complex Interplay of Transcription and Translation in an Archaeon

The scale of post-transcriptional regulation and the implications of its interplay with other forms of regulation in environmental acclimation are underexplored for organisms of the domain Archaea. Here, we have investigated the scale of post-transcriptional regulation in the extremely halophilic archaeon Halobacterium salinarum NRC-1 by integrating the transcriptome-wide locations of transcript processing sites (TPSs) and SmAP1 binding, the genome-wide locations of antisense RNAs (asRNAs), and the consequences of RNase_2099C knockout on the differential expression of all genes. This integrated analysis has discovered that 54% of all protein-coding genes in the genome of this haloarchaeon are likely targeted by multiple mechanisms for putative post-transcriptional processing and regulation, with about 20% of genes likely being regulated by combinatorial schemes involving SmAP1, asRNAs, and RNase_2099C. Comparative analysis of mRNA levels (transcriptome sequencing [RNA-Seq]) and protein levels (sequential window acquisition of all theoretical fragment ion spectra mass spectrometry [SWATH-MS]) for 2,579 genes over four phases of batch culture growth in complex medium generated additional evidence for the conditional post-transcriptional regulation of 7% of all protein-coding genes. We demonstrate that post-transcriptional regulation may act to fine-tune specialized and rapid acclimation to stressful environments, e.g., as a switch to turn on gas vesicle biogenesis to promote vertical relocation under anoxic conditions and modulate the frequency of transposition by insertion sequence (IS) elements of the IS200/IS605, IS4, and ISH3 families. Findings from this study are provided as an atlas in a public Web resource (https://halodata.systemsbiology.net).

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Targeted Adaptive Design

Modern advanced manufacturing and advanced materials design often require searches of relatively high-dimensional process control parameter spaces for settings that result in optimal structure, property, and performance parameters. The mapping from the former to the latter must be determined from noisy experiments or from expensive simulations. Here, we abstract this problem to a mathematical framework in which an unknown function from a control space to a design space must be ascertained by means of expensive noisy measurements, which locate control settings generating desired design features within specified tolerances, with quantified uncertainty. We describe targeted adaptive design (TAD), a new algorithm that performs this sampling task efficiently. TAD creates a Gaussian process surrogate model of the unknown mapping at each iterative stage, proposing a new batch of control settings to sample experimentally and optimizing the updated expected log-predictive probability density of the target design. TAD either stops upon locating a solution with uncertainties that fit inside the tolerance box or uses a measure of expected future information to determine that the search space has been exhausted with no solution. TAD thus embodies the exploration-exploitation tension in a manner that recalls, but is essentially different from, Bayesian optimization and optimal experimental design.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Efficient Training of Deep Neural Operator Networks via Randomized Sampling

Neural operators (NOs) employ deep neural networks to learn the mappings between infinitedimensional function spaces. Deep operator network (DeepONet), a popular NO architecture, has demonstrated success in the real-time prediction of complex dynamics across various scientific and engineering applications. In this work, we introduce a random sampling technique to be adopted during the training of DeepONet, aimed at improving the generalization ability of the model, while significantly reducing the computational time. The proposed approach targets the trunk network of the DeepONet model that outputs the basis functions corresponding to the spatiotemporal locations of the bounded domain on which the physical system is defined. While constructing the loss function, DeepONet training traditionally considers a uniform grid of spatiotemporal points at which all the output functions are evaluated for each iteration. This approach leads to a larger batch size, resulting in poor generalization and increased memory demands, due to the limitations of the stochastic gradient descent (SGD) optimizer. The proposed random sampling over the inputs of the trunk net mitigates these challenges, improving generalization and reducing the memory requirements during training, resulting in significant computational gains. We validate our hypothesis through three benchmark examples, demonstrating substantial reductions in training time while achieving comparable or lower overall test errors relative to the traditional training approach. Our results indicate that incorporating randomization in the trunk network inputs during training enhances the efficiency and robustness of DeepONet, offering a promising avenue for improving the framework’s performance in modeling complex physical systems.

Karumuri, Sharmila [Department of Civil & Systems ↗
DOE OSTI2021

10 Years Later: Cloud Computing is Closing the Performance Gap

Can cloud computing infrastructures provide HPC-competitive performance for scientific applications broadly? Despite prolific related literature, this question remains open. Answers are crucial for designing future systems and democratizing high-performance computing. We present a multi-level approach to investigate the performance gap between HPC and cloud computing, isolating different variables that contribute to this gap. Our experiments are divided into (i) hardware and system microbenchmarks and (ii) user application proxies. The results show that today’s high-end cloud computing can deliver HPC-competitive performance not only for computationally intensive applications, but also for memory- and communication-intensive applications – at least at modest scales – thanks to the high-speed memory systems and interconnects and dedicated batch scheduling now available on some cloud platforms.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Scalable FBP decomposition for cone-beam CT reconstruction

Filtered Back-Projection (FBP) is a fundamental compute intense algorithm used in tomographic image reconstruction. Cone-Beam Computed Tomography (CBCT) devices use a cone-shaped X-ray beam, in comparison to the parallel beam used in older CT generations. Distributed image reconstruction of cone-beam datasets typically relies on dividing batches of images into different nodes. This simple input decomposition, however, introduces limits on input/output sizes and scalability.We propose a novel decomposition scheme and reconstruction algorithm for distributed FPB. This scheme enables arbitrarily large input/output sizes, eliminates the redundancy arising in the end-to-end pipeline and improves the scalability by replacing two communication collectives with only one segmented reduction. Finally, we implement the proposed decomposition scheme in a framework that is useful for all current-generation CT devices (7th gen). In our experiments using up to 1024 GPUs, our framework can construct 40963 volumes, for real-world datasets, in under 16 seconds (including I/O).

Chen, Peng↗
DOE OSTI2021

APNN-TC: Accelerating Arbitrary Precision Neural Networks on Ampere GPU Tensor Cores

Over the years, accelerating neural networks with quantization has been widely studied. Unfortunately, prior efforts with diverse precisions (e.g., 1-bit weights and 2-bit activations) are usually restricted by limited precision support on GPUs (e.g., int1 and int4). To break such restrictions, we introduce the first Arbitrary Precision Neural Network framework (APNN-TC) to fully exploit quantization benefits on Ampere GPU Tensor Cores. Specifically, APNN-TC first incorporates a novel emulation algorithm to support arbitrary short bit-width computation with int1 compute primitives and XOR/AND Boolean operations. Second, APNN-TC integrates arbitrary precision layer designs to efficiently map our emulation algorithm to Tensor Cores with novel batching strategies and specialized memory organization. Third, APNN-TC embodies a novel arbitrary precision NN design to minimize memory access across layers and further improve performance. Extensive evaluations show that APNN-TC can achieve significant speedup over CUTLASS kernels and various NN models, such as ResNet and VGG.

Feng, Boyuan↗
DOE OSTI2022

A Length Adaptive Algorithm-Hardware Co-design of Transformer on FPGA Through Sparse Attention and Dynamic Pipelining

Transformers are considered one of the most important deep learning models since 2018, in part because it establishes state-of-the-art (SOTA) records and could potentially replace existing Deep Neural Networks (DNNs). Despite the remarkable triumphs, the prolonged turnaround time of Transformer models is a widely recognized roadblock. The variety of sequence lengths imposes additional computing overhead where inputs need to be zero-padded to the maximum sentence length in the batch to accommodate the parallel computing platforms. This paper targets the field-programmable gate array (FPGA) and proposes a coherent sequence length adaptive algorithm–hardware co-design for Transformer acceleration. Particularly, we develop a hardware-friendly sparse attention operator and a length-aware hardware resource scheduling algorithm. The proposed sparse attention operator brings the complexity of attention-based models down to linear complexity and alleviates the off-chip memory traffic. The proposed length-aware resource hardware scheduling algorithm dynamically allocates the hardware resources to fill up the pipeline slots and eliminates bubbles for NLP tasks. Experiments show that our design has very small accuracy loss and has 80.2 × and 2.6 × speedup compared to CPU and GPU implementation, and 4 × higher energy efficiency than state-of-the-art GPU accelerator optimized via CUBLAS GEMM.

Peng, Hongwu↗
DOE OSTI2023

Revisiting Temporal Blocking Stencil Optimizations

Iterative stencils are used widely across the spectrum of High Performance Computing (HPC) applications. Many efforts have been put into optimizing stencil GPU kernels, given the prevalence of GPU-accelerated supercomputers. To improve the data locality, temporal blocking is an optimization that combines a batch of time steps to process them together. Under the observation that GPUs are evolving to resemble CPUs in some aspects, we revisit temporal blocking optimizations for GPUs. We explore how temporal blocking schemes can be adapted to the new features in the recent Nvidia GPUs, including large scratchpad memory, hardware prefetching, and device-wide synchronization. We propose a novel temporal blocking method, EBISU, which champions low device occupancy to drive aggressive deep temporal blocking on large tiles that are executed tile-by-tile. We compare EBISU with state-of-the-art temporal blocking libraries: STENCILGEN and AN5D. We also compare with state-of-the-art stencil auto-tuning tools that are equipped with temporal blocking optimizations: ARTEMIS and DRSTENCIL. Over a wide range of stencil benchmarks, EBISU achieves speedups up to 2.53x and a geometric mean speedup of 1.49x over the best state-of-the-art performance in each stencil benchmark.

Zhang, Lingqi↗
DOE OSTI2023

Software-Hardware Co-design of Heterogeneous SmartNIC System for Recommendation Models Inference and Training

Deep Learning Recommendation Models (DLRMs) are critical applications in various domains and have evolved as one of the single largest machine learning applications. Trillions of DLRM parameters exceed the on-chip memory capacity of GPUs. Large-scale multi-node systems are required for distributed DLRM inference and training, which suffer from the all-to-all communication bottleneck, mainly limiting the scalability of ever-growing DLRMs. In recent years, SmartNICs have evolved with coupled computation and communication capabilities providing opportunities for a powerful heterogeneous device in the system. However, there isn't such a distributed system that fully leverages the abundant smartNIC resources that resolve the scalability issue of DLRMs. In this work, we proposed a software-hardware co-design of a heterogeneous smartNIC system that resolves the communication bottleneck of distributed DLRMs, mitigates the memory bandwidth pressure, and improves computation efficiency. We provide a set of smartNIC designs of cache systems (including local cache and remote cache) and smartNIC computation kernels which reduce data movement, relieve memory lookup intensity, and improve the GPU's computation efficiency. In addition, we propose a graph algorithm that improves the data locality of queries within batches which optimizes the overall system performance with higher data reuse. Our evaluation shows that our system achieves 2.1x latency speedup for inference and 1.6x throughput speedup for training.

Guo, Anqi↗
DOE OSTI2023

Graph Contractions for Calculating Correlation Functions in Lattice QCD

Computing correlation functions for many-particle systems in Lattice QCD is vital to extract nuclear physics observables like the energy spectrum of hadrons such as protons. However, this type of calculation has long been considered to be very challenging and computing-resource intensive because of the complex nature of a hadron composed of quarks with many degrees of freedom. In particular, a correlation function can be calculated through a sum of all possible pairs of quark contractions, each of which is a batched tensor contraction, dictated by Wick's theorem. Because the number of terms of this sum can be very large for any hadronic system of interest, fast evaluation of the sum faces several challenges: an extremely large number of contractions, a huge memory footprint at runtime, and the speed of tensor contractions. In this paper, we present a Lattice QCD analysis software suite, Redstar, which addresses these challenges by utilizing novel algorithmic and software engineering methods targeting modern computing platforms such as many-core CPUs and GPUs. In particular, Redstar represents every term in the sum of a correlation function by a graph, applies efficient graph algorithms to reduce the number of contractions to lower the cost of computations, and minimizes the total memory footprint. Moreover, Redstar carries out the contractions on either CPUs or GPUs utilizing an internal and highly efficient Hadron contraction library. Specifically, we illustrate some important algorithmic optimizations of Redstar, show various key design features of Hadron library, and present the speedup values due to the optimizations along with performance figures for calculating six correlations functions on four computing platforms.

Chen, Jie↗
DOE OSTI2024

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

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

Computer Science↗
DOE OSTI2024

Finding MIDDLE Ground: Scalable and Secure Distributed Learning

Edge computing methods allow devices to efficiently train a high-performing, robust, and personalized model for predictive tasks. However, these methods succumb to privacy and scalability concerns such as adversarial data recovery and expensive model communication. Furthermore, edge computing methods unrealistically assume that all devices train an identical model. In practice, edge devices have varying computational and memory constraints which may not allow certain devices to have the space or speed to train a specific model. To overcome these issues, we propose MIDDLE: a model independent distributed learning algorithm which allows heterogeneous edge devices to assist each other’s training while communicating only non-sensitive information. MIDDLE unlocks the ability for edge devices, regardless of computational or memory constraints, to assist each other even with completely different model architectures. Furthermore, MIDDLE does not require model or gradient communication which greatly reduces communication size and time. We prove that MIDDLE attains the optimal convergence rate O(1/sqrt(TM)) of stochastic gradient descent for convex and non-convex smooth optimization (for total iterations T and batch size M). Finally, our experimental results demonstrate that MIDDLE (even in non-IID data settings) attains robust and high-performing models without model or gradient communication.

Bornstein, Marc I.↗
DOE OSTI2025

xGFabric: Coupling Sensor Networks and HPC Facilities with Private 5G Wireless Networks for Real-Time Digital Agriculture

Advanced scientific applications require coupling distributed sensor networks with centralized high-performance computing facilities. Citrus Under Protective Screening (CUPS) exemplifies this need in digital agriculture, where citrus research facilities are instrumented with numerous sensors monitoring environmental conditions and detecting protective screening damage. CUPS demands access to computational fluid dynamics codes for modeling environmental conditions and guiding real-time interventions like water application or robotic repairs. These computing domains have contrasting properties: sensor networks provide low-performance, limited-capacity, unreliable data access, while high-performance facilities offer enormous computing power through high-latency batch processing. Private 5G networks present novel capabilities addressing this challenge by providing low latency, high throughput, and reliability necessary for near-real-time coupling of edge sensor networks with HPC simulations. This work presents xGFabric, an end-to-end system coupling sensor networks with HPC facilities through Private 5G networks. The prototype connects remote sensors via 5G network slicing to HPC systems, enabling real-time digital agriculture simulation.

Digital Agriculture↗
DOE OSTI2025

TorchBraid: High-Performance Layer-Parallel Training of Deep Neural Networks with MPI and GPU Acceleration

TorchBraid is a high-performance implementation of layer-parallel training for deep neural networks (DNNs) supporting MPI-based parallelism and GPU acceleration. Layer-parallel training has been developed to overcome the serialization inherent in forward and backward propagation of DNNs that limits utilization of computational resources in the strong scaling limit. To achieve this, TorchBraid integrates the PyTorch neural network framework with the state-of-the-art XBraid time-parallel library. Furthermore, this article presents the use and performance of TorchBraid, in addition to solutions for overcoming the algorithmic challenges inherent in combining automatic differentiation with layer-parallel. Results are presented with and without GPU acceleration for the Tiny ImageNet and MNIST image classification data sets, as well as recurrent neural networks. Overall, TorchBraid enables fast training of DNNs, both in a strong and weak scaling context. In addition to the TorchBraid software, several new advances in applying layer-parallel algorithms are detailed. Integration of layer-parallel with data-parallel algorithms is presented for the first time, showing the computational advantages of the combination. Standard deep learning techniques, like batch-normalization, are developed for layer-parallel training. Finally, a new approach combining layer-parallel with spatial coarsening in order to accelerate training for 3D image classification shows roughly a 10× speedup over serial execution.

Layer-parallel↗
DOE OSTI2026

The LCLStream Ecosystem for Multi-Institutional Dataset Exploration

We describe a new end-to-end experimental data streaming framework designed from the ground up to support new types of applications – AI training, extremely high-rate X-ray time-of-flight analysis, crystal structure determination with distributed processing, and custom data science applications and visualizers yet to be created. Throughout, we use design choices merging cloud microservices with traditional HPC batch execution models for security and flexibility. This project makes a unique contribution to the DOE Integrated Research Infrastructure (IRI) landscape. By creating a flexible, API-driven data request service, we address a significant need for high-speed data streaming sources for the X-ray science data analysis community. With the combination of data request API, mutual authentication web security framework, job queue system, high-rate data buffer, and complementary nature to facility infrastructure, the LCLStreamer framework has prototyped and implemented several new paradigms critical for future generation experiments.

Rogers, David [ORNL] (ORCID:0000000251871768)↗
DOE OSTI2026

Robust Containment Queries over Collections of Trimmed NURBS Surfaces via Generalized Winding Numbers

Here, we propose a containment query that is robust to the watertightness of regions bound by trimmed NURBS surfaces, as this property is difficult to guarantee for in-the-wild CAD models. Containment is determined through the generalized winding number (GWN), a mathematical construction that is indifferent to the arrangement of surfaces in the shape. Applying contemporary techniques for the 3D GWN to trimmed NURBS surfaces requires some form of geometric discretization, introducing computational inefficiency to the algorithm and even risking containment misclassifications near the surface. In contrast, our proposed method leverages properties of the 3D solid angle to solve the relevant surface integral using a boundary formulation with rapidly converging adaptive quadrature. Batches of queries are further accelerated by memoizing (i.e., caching and reusing) quadrature node positions and tangents as they are evaluated. We demonstrate that our GWN method is robust to complex trimming geometry in a CAD model, and is accurate up to arbitrary precision at arbitrary distances from the surface. The derived containment query is therefore robust to model non-watertightness while respecting all curved features of the input shape.

97 MATHEMATICS AND COMPUTING↗