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At least 451 records · Page 25

Run-time scheduling and execution of loops on message passing machines

Sparse system solvers and general purpose codes for solving partial differential equations are examples of the many types of problems whose irregularity can result in poor performance on distributed memory machines. Often, the data structures used in these problems are very flexible. Crucial details concerning loop dependences are encoded in these structures rather than being explicitly represented in the program. Good methods for parallelizing and partitioning these types of problems require assignment of computations in rather arbitrary ways. Naive implementations of programs on distributed memory machines requiring general loop partitions can be extremely inefficient. Instead, the scheduling mechanism needs to capture the data reference patterns of the loops in order to partition the problem. First, the indices assigned to each processor must be locally numbered. Next, it is necessary to precompute what information is needed by each processor at various points in the computation. The precomputed information is then used to generate an execution template designed to carry out the computation, communication, and partitioning of data, in an optimized manner. The design is presented for a general preprocessor and schedule executer, the structures of which do not vary, even though the details of the computation and of the type of information are problem dependent.

Crowley, Kay↗

Run-time scheduling and execution of loops on message passing machines

Sparse system solvers and general purpose codes for solving partial differential equations are examples of the many types of problems whose irregularity can result in poor performance on distributed memory machines. Often, the data structures used in these problems are very flexible. Crucial details concerning loop dependences are encoded in these structures rather than being explicitly represented in the program. Good methods for parallelizing and partitioning these types of problems require assignment of computations in rather arbitrary ways. Naive implementations of programs on distributed memory machines requiring general loop partitions can be extremely inefficient. Instead, the scheduling mechanism needs to capture the data reference patterns of the loops in order to partition the problem. First, the indices assigned to each processor must be locally numbered. Next, it is necessary to precompute what information is needed by each processor at various points in the computation. The precomputed information is then used to generate an execution template designed to carry out the computation, communication, and partitioning of data, in an optimized manner. The design is presented for a general preprocessor and schedule executer, the structures of which do not vary, even though the details of the computation and of the type of information are problem dependent.

Saltz, Joel↗

Portable Computer Technology (PCT) Research and Development Program Phase 2

The subject of this project report, focused on: (1) Design and development of two Advanced Portable Workstation 2 (APW 2) units. These units incorporate advanced technology features such as a low power Pentium processor, a high resolution color display, National Television Standards Committee (NTSC) video handling capabilities, a Personal Computer Memory Card International Association (PCMCIA) interface, and Small Computer System Interface (SCSI) and ethernet interfaces. (2) Use these units to integrate and demonstrate advanced wireless network and portable video capabilities. (3) Qualification of the APW 2 systems for use in specific experiments aboard the Mir Space Station. A major objective of the PCT Phase 2 program was to help guide future choices in computing platforms and techniques for meeting National Aeronautics and Space Administration (NASA) mission objectives. The focus being on the development of optimal configurations of computing hardware, software applications, and network technologies for use on NASA missions.

Castillo, Michael↗

Shape Memory Alloy Actuator Design: CASMART Collaborative Best Practices

Upon examination of shape memory alloy (SMA) actuation designs, there are many considerations and methodologies that are common to them all. A goal of CASMART's design working group is to compile the collective experiences of CASMART's member organizations into a single medium that engineers can then use to make the best decisions regarding SMA system design. In this paper, a review of recent work toward this goal is presented, spanning a wide range of design aspects including evaluation, properties, testing, modeling, alloy selection, fabrication, actuator processing, design optimization, controls, and system integration. We have documented each aspect, based on our collective experiences, so that the design engineer may access the tools and information needed to successfully design and develop SMA systems. Through comparison of several case studies, it is shown that there is not an obvious single, linear route a designer can adopt to navigate the path of concept to product. SMA engineering aspects will have different priorities and emphasis for different applications.

Benafan, Othmane↗

River Dissolved Oxygen Prediction Using Machine Learning Models and Wireless Sensor Measurements

Simultaneous flooding&heat and droughts&heat events can potentially destabilize hydro-meteorological conditions to deteriorate the water quality of Neches River. Machine learning (ML) models utilizing wireless sensor measurements have been applied to predict water quality and optimize various water management strategies. This study aims to develop ML models to predict dissolved oxygen (DO) prediction under various hydro-meteorological conditions and enhance water management decision-making. Wireless sensor measurements of DO, water temperature, sample depth, conductivity, turbidity, and pH, along with discharge from the United States Geological Survey stations, are collected for model inputs at the Pine Island Bayou C749 station (PIB-C749) and Neches River Saltwater Barrier (SWB). Multilayer perceptron neural networks, recurrent neural networks, long short-term memory (LSTM), and bidirectional LSTM (BiLSTM) with and without attention mechanism (AT) are tested to determine the best model, which is applied the rolling forecast method to predict 14-day DO. Traditional and recurrent transfer learning (TL and RTL) methods are adopted to overcome insufficient data at the SWB. The input feature importance analysis using the integrated gradients (IG) algorithm is applied to determine dominant inputs. The results show LSTM-based models are capable handling long sequential data. AT-BiLSTM and RTL-LSTM demonstrate the best performance at the PIB-C749 (RMSE=0.054) and the SWB (RMSE=0.028), respectively. TL and RTL methods significantly improve model performance at the SWB. DO, temperature, and pH show higher importance, consistent with hydrodynamics and water chemistry. Both best models are applied to predict 14-day DO and demonstrate reasonable performance for decision-making. Hydro-meteorological conditions of 2017 flood and 2012 drought events are simulated and reveal that possible hypoxia occurs after flooding due to increasing temperature and turbidity, and DO concentration decreases significantly under heat and drought conditions. In conclusion, LSTM-based models utilizing wireless sensor data can be a timely and effective approach to make appropriate decisions on water resource management.

54 ENVIRONMENTAL SCIENCES↗

VA EDH Advanced Software Pipeline Framework Report: Enhancing Automation and Scalability

The VA Environmental Determinants of Health (EDH) Advanced Software Pipeline Framework is designed to enhance the efficiency, scalability, and security of geospatial data processing workflows. This framework integrates modern data orchestration and containerization technologies, including Prefect for workflow automation, Docker for containerization, and PostgreSQL/PostGIS for geospatial data storage and analysis. It ensures standardized, reproducible, and automated data processing, supporting VA objectives related to substance use risk assessment and recovery research. The pipeline addresses key scalability and performance challenges through horizontal and vertical scaling, high-performance computing (HPC) integration, parallel processing, task caching, and dynamic resource allocation. These optimizations improve throughput and reduce latency, allowing the system to efficiently manage large and complex datasets. Additionally, security and compliance measures—such as data encryption (SSL), Role-Based Access Control (RBAC), and adherence to GDPR and HIPAA standards—safeguard sensitive information throughout data transmission and storage. A key implementation of this framework includes the automation of shelter list geolocation workflows, ensuring that up-to-date data is readily available for VA decision-making. Lessons learned from this project include the transition from in-memory processing to incremental storage writes, improving resource management and reliability. Future enhancements aim to expand automation, integrate AI-driven anomaly detection, and incorporate high-performance computing resources. This framework provides a scalable, secure, and adaptable solution for managing geospatial datasets, reinforcing the VA’s ability to support clinical and strategic initiatives through data-driven decision-making.

97 MATHEMATICS AND COMPUTING↗

General-purpose interface bus for multiuser, multitasking computer system

The architecture of a multiuser, multitasking, virtual-memory computer system intended for the use by a medium-size research group is described. There are three central processing units (CPU) in the configuration, each with 16 MB memory, and two 474 MB hard disks attached. CPU 1 is designed for data analysis and contains an array processor for fast-Fourier transformations. In addition, CPU 1 shares display images viewed with the image processor. CPU 2 is designed for image analysis and display. CPU 3 is designed for data acquisition and contains 8 GPIB channels and an analog-to-digital conversion input/output interface with 16 channels. Up to 9 users can access the third CPU simultaneously for data acquisition. Focus is placed on the optimization of hardware interfaces and software, facilitating instrument control, data acquisition, and processing.

Generazio, Edward R.↗

Parallelization of NAS Benchmarks for Shared Memory Multiprocessors

This paper presents our experiences of parallelizing the sequential implementation of NAS benchmarks using compiler directives on SGI Origin2000 distributed shared memory (DSM) system. Porting existing applications to new high performance parallel and distributed computing platforms is a challenging task. Ideally, a user develops a sequential version of the application, leaving the task of porting to new generations of high performance computing systems to parallelization tools and compilers. Due to the simplicity of programming shared-memory multiprocessors, compiler developers have provided various facilities to allow the users to exploit parallelism. Native compilers on SGI Origin2000 support multiprocessing directives to allow users to exploit loop-level parallelism in their programs. Additionally, supporting tools can accomplish this process automatically and present the results of parallelization to the users. We experimented with these compiler directives and supporting tools by parallelizing sequential implementation of NAS benchmarks. Results reported in this paper indicate that with minimal effort, the performance gain is comparable with the hand-parallelized, carefully optimized, message-passing implementations of the same benchmarks.

Waheed, Abdul↗

DTLMod: A simulation framework for in situ workflow optimization

In situ processing workflows have become essential for coping with the explosion in data volume and velocity in large-scale scientific computing, providing domain scientists with early insights at runtime. Multiple frameworks implement this paradigm through a data transport layer (DTL), offering different data access modes and deployment schemes, but researchers currently lack the appropriate tools to assess design and deployment options before committing to costly real experiments. We introduce DTLMod, an open-source simulated DTL that enables performance evaluation of in situ workflow configurations at scale. Built on SimGrid, it links into any SimGrid-based simulator and is available in C++ and Python. We evaluate DTLMod along four axes: scalability (tens of thousands of simulated processes across interconnected clusters in seconds, with linear memory scaling), versatility (three implementation variants trading fidelity for speed), accuracy (simulated times faithfully reflecting real behavior), and practical utility (two use cases demonstrating evidence-based workflow design decisions).

Suter, Fred [ORNL] (ORCID:0000000319021955)↗

Reusable, Extensible High-Level Data-Distribution Concept

A framework for high-level specification of data distributions in data-parallel application programs has been conceived. [As used here, distributions signifies means to express locality (more specifically, locations of specified pieces of data) in a computing system composed of many processor and memory components connected by a network.] Inasmuch as distributions exert a great effect on the performances of application programs, it is important that a distribution strategy be flexible, so that distributions can be adapted to the requirements of those programs. At the same time, for the sake of productivity in programming and execution, it is desirable that users be shielded from such error-prone, tedious details as those of communication and synchronization. As desired, the present framework enables a user to refine a distribution type and adjust it to optimize the performance of an application program and conceals, from the user, the low-level details of communication and synchronization. The framework provides for a reusable, extensible, data-distribution design, denoted the design pattern, that is independent of a concrete implementation. The design pattern abstracts over coding patterns that have been found to be commonly encountered in both manually and automatically generated distributed parallel programs. The following description of the present framework is necessarily oversimplified to fit within the space available for this article. Distributions are among the elements of a conceptual data-distribution machinery, some of the other elements being denoted domains, index sets, and data collections (see figure). Associated with each domain is one index set and one distribution. A distribution class interface (where "class" is used in the object-oriented-programming sense) includes operations that enable specification of the mapping of an index to a unit of locality. Thus, "Map(Index)" specifies a unit, while "LocalLayout(Index)" specifies the local address within that unit. The distribution class can be extended to enable specification of commonly used distributions or novel user-defined distributions. A data collection can be defined over a domain. The term "data collection" in this context signifies, more specifically, an abstraction of mappings from index sets to variables. Since the index set is distributed, the addresses of the variables are also distributed.

James, Mark↗

Developing a Hydrological Monitoring and Sub-Seasonal to Seasonal Forecasting System for South and Southeast Asian River Basins

South and Southeast Asia is subject to significant hydrometeorological extremes, including drought. Under rising temperatures, growing populations, and an apparent weakening of the South Asian monsoon in recent decades, concerns regarding drought and its potential impacts on water and food security are on the rise. Reliable sub-seasonal to seasonal (S2S) hydrological forecasts could, in principle, help governments and international organizations to better assess risk and act in the face of an oncoming drought. Here, we leverage recent improvements in S2S meteorological forecasts and the growing power of Earth Observations to provide more accurate monitoring of hydrological states for forecast initialization. Information from both sources is merged in a South and Southeast Asia sub-seasonal to seasonal hydrological forecasting system (SAHFS-S2S), developed collaboratively with the NASA SERVIR program and end-users across the region. This system applies the Noah-MultiParameterization (NoahMP) Land Surface Model (LSM) in the NASA Land Information System (LIS), driven by downscaled meteorological fields from the Global Data Assimilation System (GDAS) and Climate Hazards InfraRed Precipitation products (CHIRP and CHIRPS) to optimize initial conditions. The NASA Goddard Earth Observing System Model - sub-seasonal to seasonal (GEOS-S2S) forecasts, downscaled using the National Center for Atmospheric Research (NCAR) General Analog Regression Downscaling (GARD) tool and quantile mapping, are then applied to drive 5-km resolution hydrological forecasts to a 9-month forecast time horizon. Results show that the skillful predictions of root zone soil moisture can be made one to two months in advance for forecasts initialized in rainy seasons and up to 8 months when initialized in dry seasons. The memory of accurate initial conditions can positively contribute to forecast skills throughout the entire 9-month prediction period in areas with limited precipitation. This SAHFS-S2S has been operationalized at the International Centre for Integrated Mountain Development (ICIMOD) to support drought monitoring and warning needs in the region.

Yifan Zhou↗

Phase Synergy Enables Low‐Power Ferroelectric Switching in HfO 2 Epitaxial Films

HfO 2 -based ferroelectric materials have emerged as leading candidates for next-generation non-volatile memory technologies, owing to their nanoscale robust ferroelectricity and complementary metal–oxide–semiconductor (CMOS) compatibility. However, challenges and debates persist in advancing and comprehensively understanding their ferroelectric behavior. In particular, conventional approaches typically regard non-ferroelectric phases as detrimental and primarily focus on suppressing their formation, yet overlooking their potentially synergistic contributions—particularly those of the tetragonal (T) phase. Here, we unambiguously clarify the beneficial role of the T-phase and introduce a phase-boundary engineering strategy that deliberately harnesses it to enhance ferroelectricity in HfO 2 films. By stabilizing optimal coherent boundaries between ferroelectric orthorhombic (O) and T phases in epitaxial La-doped HfO 2 films, we achieve significant improvements in ferroelectric properties—doubling the remanent polarization (P r ∼ 30 µC/cm 2 ) and substantially reducing the coercive field (E c ∼ 3 MV/cm) by 30% compared to low-La doped samples without such boundaries. Atomic-scale electron microscopy reveals the structural nature of the atomically sharp, coherent O–T boundaries. Combined with deep-learning enhanced molecular dynamics simulations, our results unravel that these boundaries facilitate intermediate polarization states that lower the switching energy barrier. Consequently, phase coexistence shifts from an inherent drawback to a tunable design element, offering a broadly applicable route to ultra-low-power HfO 2 -based nanoelectronics.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Surrogate models for development of unconventional shale reservoirs by an integrated numerical approach of hydraulic fracturing, flow and geomechanics, and machine learning

We develop well-completion surrogate models by taking an integrated workflow of hydraulic fracturing, flow, geomechanics, and machine learning simulation. There are three steps in the proposed workflow. First, history-matching processes are conducted with the field data including pumping and production data for characterization. Second, full-physics simulation is performed with various parameters of the field development (e.g., cluster spacing, clusters per stage, pumping rates and times, amount of proppant, and well spacing) to generate multiple simulation results by changing the parameters of the completion design with well-known hydraulic fracturing, reservoir, geomechanics simulators to calculate fracture geometry, reservoir depressurization, induced stress changes. The workflow is demonstrated over a field in the Southern Midland Basin. Here, we take two completion scenarios: a single well case followed by a multi-well case. Finally, a Long Short-Term Memory (LSTM) machine learning algorithm is employed to create surrogate models that can replicate the full-physics simulation results. Furthermore, results show that the trained models applied in the single well and multi-well cases for a particular geological system can provide good accuracy close to those provided by full-physics simulations. Specifically, the site-specific surrogate models can predict fracture parameters (length, height, and surface area) and cumulative production accurately with computational efficiency, suggesting our proposed workflow can be used as a pragmatic tool for expediting the well completion optimization process.

Geomechanics↗

Practical implementation of an accurate method for multilevel design sensitivity analysis

Solution techniques for handling large scale engineering optimization problems are reviewed. Potentials for practical applications as well as their limited capabilities are discussed. A new solution algorithm for design sensitivity is proposed. The algorithm is based upon the multilevel substructuring concept to be coupled with the adjoint method of sensitivity analysis. There are no approximations involved in the present algorithm except the usual approximations introduced due to the discretization of the finite element model. Results from the six- and thirty-bar planar truss problems show that the proposed multilevel scheme for sensitivity analysis is more effective (in terms of computer incore memory and the total CPU time) than a conventional (one level) scheme even on small problems. The new algorithm is expected to perform better for larger problems and its applications on the new generation of computer hardwares with 'parallel processing' capability is very promising.

Nguyen, Duc T.↗

Geometry-aware training of factorized layers in tensor Tucker format

Reducing parameter redundancies in neural network architectures is crucial for achieving feasible computational and memory requirements during train and inference of large networks. Given its easy implementation and flexibility, one promising approach is layer factorization, which reshapes weight tensors into a matrix format and parameterizes it as the product of two rank-r matrices. However, this family of approaches often requires an initial full-model warm-up phase, prior knowledge of a feasible rank, and it is sensitive to parameter initialization.In this work, we introduce a novel approach to train the factors of a Tucker decomposition of the weight tensors. Our training proposal proves to be optimal in locally approximating the original unfactorized dynamics and stable for the initialization. Furthermore, the rank of each mode is dynamically updated during training.We provide a theoretical analysis of the algorithm, showing convergence, approximation and local descent guarantees. The method's performance is further illustrated through a variety of experiments, showing remarkable training compression rates and comparable or even better performance than the full baseline and alternative layer factorization strategies.

Zangrando, Emanuele [Gran Sasso Science Institute ↗

Distributed Stochastic Optimization of a Neural Representation Network for Time-Space Tomography Reconstruction

4D time-space reconstruction of dynamic events or deforming objects using X-ray computed tomography (CT) is an important inverse problem in non-destructive evaluation. Conventional back-projection based reconstruction methods assume that the object remains static for the duration of several tens or hundreds of X-ray projection measurement images (reconstruction of consecutive limited-angle CT scans). However, this is an unrealistic assumption for many in-situ experiments that causes spurious artifacts and inaccurate morphological reconstructions of the object. To solve this problem, we propose to perform a 4D time-space reconstruction using a distributed implicit neural representation (DINR) network that is trained using a novel distributed stochastic training algorithm. Our DINR network learns to reconstruct the object at its output by iterative optimization of its network parameters such that the measured projection images best match the output of the CT forward measurement model. Here, we use a forward measurement model that is a function of the DINR outputs at a sparsely sampled set of continuous valued 4D object coordinates. Unlike previous neural representation architectures that forward and back propagate through dense voxel grids that sample the object's entire time-space coordinates, we only propagate through the DINR at a small subset of object coordinates in each iteration resulting in an order-of-magnitude reduction in memory and compute for training. DINR leverages distributed computation across several compute nodes and GPUs to produce high-fidelity 4D time-space reconstructions. We use both simulated parallel-beam and experimental cone-beam X-ray CT datasets to demonstrate the superior performance of our approach.

36 MATERIALS SCIENCE↗

Trends in modern system theory

The topics considered are related to linear control system design, adaptive control, failure detection, control under failure, system reliability, and large-scale systems and decentralized control. It is pointed out that the design of a linear feedback control system which regulates a process about a desirable set point or steady-state condition in the presence of disturbances is a very important problem. The linearized dynamics of the process are used for design purposes. The typical linear-quadratic design involving the solution of the optimal control problem of a linear time-invariant system with respect to a quadratic performance criterion is considered along with gain reduction theorems and the multivariable phase margin theorem. The stumbling block in many adaptive design methodologies is associated with the amount of real time computation which is necessary. Attention is also given to the desperate need to develop good theories for large-scale systems, the beginning of a microprocessor revolution, the translation of the Wiener-Hopf theory into the time domain, and advances made in dynamic team theory, dynamic stochastic games, and finite memory stochastic control.

Athans, M.↗

Multiphase complete exchange on a circuit switched hypercube

On a distributed memory parallel computer, the complete exchange (all-to-all personalized) communication pattern requires each of n processors to send a different block of data to each of the remaining n - 1 processors. This pattern is at the heart of many important algorithms, most notably the matrix transpose. For a circuit switched hypercube of dimension d(n = 2(sup d)), two algorithms for achieving complete exchange are known. These are (1) the Standard Exchange approach that employs d transmissions of size 2(sup d-1) blocks each and is useful for small block sizes, and (2) the Optimal Circuit Switched algorithm that employs 2(sup d) - 1 transmissions of 1 block each and is best for large block sizes. A unified multiphase algorithm is described that includes these two algorithms as special cases. The complete exchange on a hypercube of dimension d and block size m is achieved by carrying out k partial exchange on subcubes of dimension d(sub i) Sigma(sup k)(sub i=1) d(sub i) = d and effective block size m(sub i) = m2(sup d-di). When k = d and all d(sub i) = 1, this corresponds to algorithm (1) above. For the case of k = 1 and d(sub i) = d, this becomes the circuit switched algorithm (2). Changing the subcube dimensions d, varies the effective block size and permits a compromise between the data permutation and block transmission overhead of (1) and the startup overhead of (2). For a hypercube of dimension d, the number of possible combinations of subcubes is p(d), the number of partitions of the integer d. This is an exponential but very slowly growing function and it is feasible over these partitions to discover the best combination for a given message size. The approach was analyzed for, and implemented on, the Intel iPSC-860 circuit switched hypercube. Measurements show good agreement with predictions and demonstrate that the multiphase approach can substantially improve performance for block sizes in the 0 to 160 byte range. This range, which corresponds to 0 to 40 floating point numbers per processor, is commonly encountered in practical numeric applications. The multiphase technique is applicable to all circuit-switched hypercubes that use the common e-cube routing strategy.

Bokhari, Shahid H.↗