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At least 1,045 records · Page 58

Comparative Assessment of U-Net-Based Deep Learning Models for Segmenting Microfractures and Pore Spaces in Digital Rocks

Segmentation of high-resolution X-ray microcomputed tomography (µCT) images is crucial in digital rock physics (DRP), affecting the characterization and analysis of microscale phenomena in the porous media. The complexity of geological structures and nonideal scanning conditions pose significant challenges to conventional image segmentation approaches. Motivated by the recent increasing popularity of deep learning (DL) techniques in image processing, this work undertakes a comparative study of DL models, specifically U-Net and its variants, for segmenting multiple targets with distinguished features in digital rocks, including discrete fracture networks (DFNs), pore spaces, and solid rock. Particularly, DFNs have a smaller volumetric fraction over others, bringing in a substantial challenge of imbalanced segmentation. The primary focus is to evaluate the architecture and feature enhancement strategies of various DL models, including U-Net, attention U-Net, residual U-Net, U-Net++, and residual U-Net++. The models were designed as 2.5D, utilizing a central 2D image and its two adjacent upper and lower 2D images as input to provide a pseudo-3D context. In addition, because the ground truth of segmentation was unknown for real-world digital rocks, we created a benchmark data set following the inverse operations of segmentation. The data synthesis started from the label images (i.e., solid rock, pore spaces, and DFNs), followed by simulating partial volume blurring, adding random background noise, and introducing ring artifacts to mimic real raw X-ray µCT images. The data set, which included various rock types (i.e., sandstone and artificial data), scanning resolution, and magnitudes of noise and artifacts, was divided into training and testing data sets with a 90% and 10% ratio, respectively. Moreover, in addition to the conventional pixel-wise evaluation metrics, the physics-based metric of the lattice-Boltzmann method (LBM) simulated permeability provided more comprehensive assessments. The results demonstrated that the residual connections, nested architectures, and redesigned skip connections contribute to the model performance and give the residual U-Net++ the highest accuracy. The improvements were mainly on the boundaries and small targets, especially the DFNs, which dominate the interconnectivity and therefore affect the permeability greatly. This study also rigorously evaluated the efficiency and generalization of each model, demonstrating that the sophisticated architectures achieved excellent practicability and maintained robust performance on completely unseen data, ensuring their suitability for diverse and challenging DRP applications.

58 GEOSCIENCES↗

Parthenon—a performance portable block-structured adaptive mesh refinement framework

On the path to exascale the landscape of computer device architectures and corresponding programming models has become much more diverse. While various low-level performance portable programming models are available, support at the application level lacks behind. To address this issue, we present the performance portable block-structured adaptive mesh refinement (AMR) framework Parthenon, derived from the well-tested and widely used Athena++ astrophysical magnetohydrodynamics code, but generalized to serve as the foundation for a variety of downstream multi-physics codes. Parthenon adopts the Kokkos programming model, and provides various levels of abstractions from multidimensional variables, to packages defining and separating components, to launching of parallel compute kernels. Parthenon allocates all data in device memory to reduce data movement, supports the logical packing of variables and mesh blocks to reduce kernel launch overhead, and employs one-sided, asynchronous MPI calls to reduce communication overhead in multi-node simulations. Using a hydrodynamics miniapp, we demonstrate weak and strong scaling on various architectures including AMD and NVIDIA GPUs, Intel and AMD x86 CPUs, IBM Power9 CPUs, as well as Fujitsu A64FX CPUs. At the largest scale on Frontier (the first TOP500 exascale machine), the miniapp reaches a total of 1.7 × 10 13 zone-cycles/s on 9216 nodes (73,728 logical GPUs) at [Formula: see text] weak scaling parallel efficiency (starting from a single node). In combination with being an open, collaborative project, this makes Parthenon an ideal framework to target exascale simulations in which the downstream developers can focus on their specific application rather than on the complexity of handling massively-parallel, device-accelerated AMR.

97 MATHEMATICS AND COMPUTING↗

ERF: Energy Research and Forecasting Model

High performance computing (HPC) architectures have undergone rapid development in recent years. As a result, established software suites face an ever increasing challenge to remain performant on and portable across modern systems. Many of the widely adopted atmospheric modeling codes cannot fully (or in some cases, at all) leverage the acceleration provided by General-Purpose Graphics Processing Units, leaving users of those codes constrained to increasingly limited HPC resources. Energy Research and Forecasting (ERF) is a regional atmospheric modeling code that leverages the latest HPC architectures, whether composed of only Central Processing Units (CPUs) or incorporating GPUs. ERF contains many of the standard discretizations and basic features needed to model general atmospheric dynamics. The modular design of ERF provides a flexible platform for exploring different physics parameterizations and numerical strategies. ERF is built on a state-of-the-art, well-supported, software framework (AMReX) that provides a performance portable interface and ensures ERF's long-term sustainability on next generation computing systems. This paper details the numerical methodology of ERF, presents results for a series of verification/validation cases, and documents ERF's performance on current HPC systems. The roughly 5× speed up of ERF (using GPUs) over Weather Research and Forecasting (CPUs only) for a 3D squall line test case highlights the significance of leveraging GPU acceleration.

17 WIND ENERGY↗

Hardware Architectures for Data-Intensive Computing Problems: A Case Study for String Matching

DNA analysis is an emerging application of high performance bioinformatic. Modern sequencing machinery are able to provide, in few hours, large input streams of data, which needs to be matched against exponentially growing databases of known fragments. The ability to recognize these patterns effectively and fastly may allow extending the scale and the reach of the investigations performed by biology scientists. Aho-Corasick is an exact, multiple pattern matching algorithm often at the base of this application. High performance systems are a promising platform to accelerate this algorithm, which is computationally intensive but also inherently parallel. Nowadays, high performance systems also include heterogeneous processing elements, such as Graphic Processing Units (GPUs), to further accelerate parallel algorithms. Unfortunately, the Aho-Corasick algorithm exhibits large performance variability, depending on the size of the input streams, on the number of patterns to search and on the number of matches, and poses significant challenges on current high performance software and hardware implementations. An adequate mapping of the algorithm on the target architecture, coping with the limit of the underlining hardware, is required to reach the desired high throughputs. In this paper, we discuss the implementation of the Aho-Corasick algorithm for GPU-accelerated high performance systems. We present an optimized implementation of Aho-Corasick for GPUs and discuss its tradeoffs on the Tesla T10 and he new Tesla T20 (codename Fermi) GPUs. We then integrate the optimized GPU code, respectively, in a MPI-based and in a pthreads-based load balancer to enable execution of the algorithm on clusters and large sharedmemory multiprocessors (SMPs) accelerated with multiple GPUs.

Tumeo, Antonino↗

Execution environment for intelligent real-time control systems

Modern telerobot control technology requires the integration of symbolic and non-symbolic programming techniques, different models of parallel computations, and various programming paradigms. The Multigraph Architecture, which has been developed for the implementation of intelligent real-time control systems is described. The layered architecture includes specific computational models, integrated execution environment and various high-level tools. A special feature of the architecture is the tight coupling between the symbolic and non-symbolic computations. It supports not only a data interface, but also the integration of the control structures in a parallel computing environment.

Sztipanovits, Janos↗

A design philosophy for multi-layer neural networks with applications to robot control

A system is proposed which receives input information from many sensors that may have diverse scaling, dimension, and data representations. The proposed system tolerates sensory information with faults. The proposed self-adaptive processing technique has great promise in integrating the techniques of artificial intelligence and neural networks in an attempt to build a more intelligent computing environment. The proposed architecture can provide a detailed decision tree based on the input information, information stored in a long-term memory, and the adapted rule-based knowledge. A mathematical model for analysis will be obtained to validate the cited hypotheses. An extensive software program will be developed to simulate a typical example of pattern recognition problem. It is shown that the proposed model displays attention, expectation, spatio-temporal, and predictory behavior which are specific to the human brain. The anticipated results of this research project are: (1) creation of a new dynamic neural network structure, and (2) applications to and comparison with conventional multi-layer neural network structures. The anticipated benefits from this research are vast. The model can be used in a neuro-computer architecture as a building block which can perform complicated, nonlinear, time-varying mapping from a multitude of input excitory classes to an output or decision environment. It can be used for coordinating different sensory inputs and past experience of a dynamic system and actuating signals. The commercial applications of this project can be the creation of a special-purpose neuro-computer hardware which can be used in spatio-temporal pattern recognitions in such areas as air defense systems, e.g., target tracking, and recognition. Potential robotics-related applications are trajectory planning, inverse dynamics computations, hierarchical control, task-oriented control, and collision avoidance.

Vadiee, Nader↗

Argonne Leadership Computing Facility 2011 annual report: Shaping future supercomputing

The ALCF's Early Science Program aims to prepare key applications for the architecture and scale of Mira and to solidify libraries and infrastructure that will pave the way for other future production applications. Two billion core-hours have been allocated to 16 Early Science projects on Mira. The projects, in addition to promising delivery of exciting new science, are all based on state-of-the-art, petascale, parallel applications. The project teams, in collaboration with ALCF staff and IBM, have undertaken intensive efforts to adapt their software to take advantage of Mira's Blue Gene/Q architecture, which, in a number of ways, is a precursor to future high-performance-computing architecture. The Argonne Leadership Computing Facility (ALCF) enables transformative science that solves some of the most difficult challenges in biology, chemistry, energy, climate, materials, physics, and other scientific realms. Users partnering with ALCF staff have reached research milestones previously unattainable, due to the ALCF's world-class supercomputing resources and expertise in computation science. In 2011, the ALCF's commitment to providing outstanding science and leadership-class resources was honored with several prestigious awards. Research on multiscale brain blood flow simulations was named a Gordon Bell Prize finalist. Intrepid, the ALCF's BG/P system, ranked No. 1 on the Graph 500 list for the second consecutive year. The next-generation BG/Q prototype again topped the Green500 list. Skilled experts at the ALCF enable researchers to conduct breakthrough science on the Blue Gene system in key ways. The Catalyst Team matches project PIs with experienced computational scientists to maximize and accelerate research in their specific scientific domains. The Performance Engineering Team facilitates the effective use of applications on the Blue Gene system by assessing and improving the algorithms used by applications and the techniques used to implement those algorithms. The Data Analytics and Visualization Team lends expertise in tools and methods for high-performance, post-processing of large datasets, interactive data exploration, batch visualization, and production visualization. The Operations Team ensures that system hardware and software work reliably and optimally; system tools are matched to the unique system architectures and scale of ALCF resources; the entire system software stack works smoothly together; and I/O performance issues, bug fixes, and requests for system software are addressed. The User Services and Outreach Team offers frontline services and support to existing and potential ALCF users. The team also provides marketing and outreach to users, DOE, and the broader community.

99 GENERAL AND MISCELLANEOUS↗

Detection of Coherent Structures in Extreme-Scale Simulations

The analysis of coherent structures is a common problem in many scientific domains ranging from astrophysics to combustion, fusion, and materials science. The data from three-dimensional simulations are analyzed to detect the structures, extract statistics on them, and track them over time to gain insights into the phenomenon being modeled. This analysis is typically done off-line, using data that have been written out by the simulations. However, the move towards extreme scale architectures, with multi-core processors and graphical processing units, will affect how such analysis is done as it is unlikely that the systems will support the I/O bandwidth required for off-line analysis. Moving the analysis in-situ is a solution only if we know a priori what analysis will be done, as well as the algorithms used and their parameter settings. Even then, we need to ensure that this will not substantially increase the memory requirements or the data movement as the former will be limited and the latter will be expensive. In the Exa-DM project, a collaboration between Lawrence Livermore National Laboratory and University of Minnesota, we are exploring ways in which we can address the conflicting demands of coherent structure analysis of simulation data and the architecture of modern parallel systems, while enabling scientific discovery at the exascale. In this paper, we describe our work in two areas: the in situ implementation of an existing algorithm for coherent structure analysis and the use of graph-based techniques to efficiently compress the data.

79 ASTRONOMY AND ASTROPHYSICS↗

Extending adaptive sparse grids for stochastic collocation to hybrid parallel architectures

We are developing an adaptive sparse grid library tailored for emerging architectures that will allow the solution of stochastic problems of unprecedented size. This paper gives a brief overview of the problem at hand and presents initial results for a small GPU-based cluster. An outlook on large-scale distributed memory parallelization and our hybrid design approach is also included.

99 GENERAL AND MISCELLANEOUS↗

Advanced Potential Energy Surfaces for Molecular Simulation

Advanced potential energy surfaces are defined as theoretical models that explicitly include many-body effects that transcend the standard fixed-charge, pairwise-additive paradigm typically used in molecular simulation. However, several factors relating to their software implementation have precluded their widespread use in condensed-phase simulations: the computational cost of the theoretical models, a paucity of approximate models and algorithmic improvements that can ameliorate their cost, underdeveloped interfaces and limited dissemination in computational code bases that are widely used in the computational chemistry community, and software implementations that have not kept pace with modern high-performance computing (HPC) architectures, such as multicore CPUs and modern graphics processing units (GPUs). Here in this Feature Article we review recent progress made in these areas, including well-defined polarization approximations and new multipole electrostatic formulations, novel methods for solving the mutual polarization equations and increasing the MD time step, combining linear-scaling electronic structure methods with new QM/MM methods that account for mutual polarization between the two regions, and the greatly improved software deployment of these models and methods onto GPU and CPU hardware platforms. Finally, we have now approached an era where multipole-based polarizable force fields can be routinely used to obtain computational results comparable to state-of-the-art density functional theory while reaching sampling statistics that are acceptable when compared to that obtained from simpler fixed partial charge force fields.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

MIND-MAC: Multi-Level In-memory Quasi Non-Destructive MAC Operation in Compact 2T-nC FeRAM for Efficient DNN Accelerator

We present MIND-MAC, a compact 2T-nC FeRAM architecture that performs multi-level, quasi-non-destructive in-memory multiply–accumulate (MAC) for deep neural networks. By exploiting voltage-controlled partial domain switching in MFM capacitors and read-transistor amplification, the cell stores multi-bit weights and gates bit-serial inputs to produce an accumulated current on shared lines. We combine TCAD-extracted parasitics with experimentally calibrated ferroelectric models in SPICE to validate device-/circuit-level behavior, and validate multi-level sensing and QNRO with measurements on a fabricated 2T-3C test vehicle. An analytical system model maps MIND-MAC to a 6-GB main-memory in-memory compute (IMC) architecture and benchmarks VGG13 inference in 61.08 ms at 964.99 mJ. Results indicate high density, reduced rewrite overhead, and energy efficiency, positioning 2T-nC FeRAM as a promising IMC candidate for next-generation AI hardware.

36 MATERIALS SCIENCE↗

PATCHWORK: A Multipatch Infrastructure for Multiphysics/Multiscale/Multiframe Fluid Simulations

Here, we present a "multipatch" infrastructure for the numerical simulation of fluid problems in which subregions require different grid scales, different grid geometries, different physical equations, or different reference frames. Its key element is a sophisticated client–router–server framework for efficiently linking processors supporting different regions ("patches") that must exchange boundary data. This infrastructure may be used with a wide variety of fluid dynamics codes; the only requirement is that their primary dependent variables be the same in all patches, e.g., fluid mass density, internal energy density, and velocity. Its structure can accommodate either Newtonian or relativistic dynamics. The overhead imposed by this system is both problem and computer cluster architecture dependent. Compared to a conventional simulation using the same number of cells and processors employed on a problem not requiring multipatch methods, the cell update per processor rate decreases by an amount that can range from negligible to a factor of a few; however, even in these problems, the infrastructure can permit substantial decreases in the total number of cell updates required.

97 MATHEMATICS AND COMPUTING↗

AI Foundation Models for Science: An Open Collaborative Initiative

Foundation Models (FMs), AI models designed to replace task-specific models, are increasingly being recognized for their versatility across numerous downstream applications. These models, trained using self-supervised techniques on any type of sequence data, circumvent the need for large annotated datasets, a major bottleneck in traditional AI model development. FMs can be applied to downstream tasks using few-shot learning and fine-tuning, significantly reducing the need for large labeled training datasets and computational resources. However, the development of FMs requires substantial resources, including access to data and compute power, expertise in the latest models, and specialized scientific knowledge for systematic evaluation. It is challenging for a single group to possess all these capabilities. To address this, NASA IMPACT has initiated an open collaborative effort, leveraging partnerships with the private sector and other groups within and outside NASA, to jointly build FMs. The overarching goal is to develop a consistent and collaborative approach to building FMs for high-value science datasets. This initiative has fostered collaboration within NASA and with external partners, including IBM Research, Clark University, DOE’s ORNL, ESA, and USGS. The effort focuses on identifying key datasets with a wide range of downstream applications, pretraining and building FMs using modified transformer architectures, evaluating compute infrastructure needs, and sharing models, pretraining and fine-tuning code, and data with the community. Furthermore, it aims to train the Earth science community to fine-tune these models for various downstream applications. Our initial effort resulted in the creation of a 100 million parameter HLS Geospatial Model within six months, which was released on HuggingFace. We are now expanding our scope to include data from weather and climate models and investigating multimodal models. We invite those interested in participating in this effort to join us by sharing their use cases, expertise, or data.

Rahul Ramachandran↗

Agent-Based Distributed Energy Resources for Supporting Intelligence at the Grid Edge

This article proposes a novel multi-agent framework that can link various forms of resources and power electronic systems into distributed energy resources (DER). The proposed multiagent architecture can also integrate DERs to a central controller for optimization and control to support the grid. To demonstrate the flexibility of this novel framework, the developed agent system is applied to a set of end-use systems. Furthermore, the agent framework is validated in hardware using controller-hardware-in-the-loop simulation platform.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Towards memristor supremacy with novel machine learning algorithms

The von Neumann architecture for current computers is slowly showing signs of limitations, due to the finite bus rate between the RAM (memory) and the CPU (computing unit). In-Memory computing is an alternative to this architecture, which however is still in the early stages of development. Memristors are an analog and classical alternative, as these components can act both as a memory, or as a simple computing unit. When wired together, these can in fact be used for a variety of applications. During the course of our research, we have developed an in-depth experimental understanding of both the limitations and the real possibilities of these devices, and developed automated algorithms for their characterization; at the theoretical level, we have incorporated the experimental features to implement novel analog computing units for specific tasks. We have shown that memristors can tackle QUBO and cubic optimization problems, and exhibit tunneling phenomena.

97 MATHEMATICS AND COMPUTING↗

Gen IV Materials Handbook Functionalities and Operation (2B) (V.2.0)

This document is prepared for navigation and operation of the Gen IV Materials Handbook, with architecture description and new user access initiation instructions. Development rationale and history of the Handbook is summarized. The major development aspects, architecture, and design principles of the Handbook are briefly introduced to provide an overview of its past evolution and future prospects. Detailed instructions are given with examples for navigating the constructed Handbook components and using the main functionalities. Procedures are provided in a step-by-step fashion for Data Upload Managers to upload reports and data files, as well as for new users to initiate Handbook access.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Dynamic Gate Product and Artifact Generation from System Models

Model Based Systems Engineering (MBSE) is gaining acceptance as a way to formalize systems engineering practice through the use of models. The traditional method of producing and managing a plethora of disjointed documents and presentations ("Power-Point Engineering") has proven both costly and limiting as a means to manage the complex and sophisticated specifications of modern space systems. We have developed a tool and method to produce sophisticated artifacts as views and by-products of integrated models, allowing us to minimize the practice of "Power-Point Engineering" from model-based projects and demonstrate the ability of MBSE to work within and supersede traditional engineering practices. This paper describes how we have created and successfully used model-based document generation techniques to extract paper artifacts from complex SysML and UML models in support of successful project reviews. Use of formal SysML and UML models for architecture and system design enables production of review documents, textual artifacts, and analyses that are consistent with one-another and require virtually no labor-intensive maintenance across small-scale design changes and multiple authors. This effort thus enables approaches that focus more on rigorous engineering work and less on "PowerPoint engineering" and production of paper-based documents or their "office-productivity" file equivalents.

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