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At least 415 records · Page 23

A parallel, distributed memory implementation of the adaptive sampling configuration interaction method

The many-body simulation of quantum systems is an active field of research that involves several different methods targeting various computing platforms. Many methods commonly employed, particularly coupled cluster methods, have been adapted to leverage the latest advances in modern high-performance computing. Selected configuration interaction (sCI) methods have seen extensive usage and development in recent years. However, the development of sCI methods targeting massively parallel resources has been explored only in a few research works. Here, we present a parallel, distributed memory implementation of the adaptive sampling configuration interaction approach (ASCI) for sCI. In particular, we will address the key concerns pertaining to the parallelization of the determinant search and selection, Hamiltonian formation, and the variational eigenvalue calculation for the ASCI method. Load balancing in the search step is achieved through the application of memory-efficient determinant constraints originally developed for the ASCI-PT2 method. The presented benchmarks demonstrate near optimal speedup for ASCI calculations of Cr 2 (24e, 30o) with 10 6 , 10 7 , and 3 × 10 8 variational determinants on up to 16 384 CPUs. Importantly, to the best of the authors’ knowledge, this is the largest variational ASCI calculation to date.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Predit: A temporal predictive framework for scheduling systems

Scheduling can be formalized as a Constraint Satisfaction Problem (CSP). Within this framework activities belonging to a plan are interconnected via temporal constraints that account for slack among them. Temporal representation must include methods for constraints propagation and provide a logic for symbolic and numerical deductions. In this paper we describe a support framework for opportunistic reasoning in constraint directed scheduling. In order to focus the attention of an incremental scheduler on critical problem aspects, some discrete temporal indexes are presented. They are also useful for the prediction of the degree of resources contention. The predictive method expressed through our indexes can be seen as a Knowledge Source for an opportunistic scheduler with a blackboard architecture.

Paolucci, E.↗

GBaTSv2: a revised synthesis of the likely basal thermal state of the Greenland Ice Sheet

The basal thermal state (frozen or thawed) of the Greenland Ice Sheet is under-constrained due to few direct measurements, yet knowledge of this state is becoming increasingly important to interpret modern changes in ice flow. The first synthesis of this state relied on inferences from widespread airborne and satellite observations and numerical models, for which most of the underlying datasets have since been updated. Further, new and independent constraints on the basal thermal state have been developed from analysis of basal and englacial reflections observed by airborne radar sounding. Here we synthesize constraints on the Greenland Ice Sheet's basal thermal state from boreholes, thermomechanical ice-flow models that participated in the Ice Sheet Model Intercomparison Project for CMIP6 (ISMIP6; Coupled Model Intercomparison Project Phase 6), IceBridge BedMachine Greenland v4 bed topography, Making Earth Science Data Records for Use in Research Environments (MEaSUREs) Multi-Year Greenland Ice Sheet Velocity Mosaic v1 and multiple inferences of a thawed bed from airborne radar sounding. Most constraints can only identify where the bed is likely thawed rather than where it is frozen. This revised synthesis of the Greenland likely Basal Thermal State version 2 (GBaTSv2) indicates that 33 % of the ice sheet's bed is likely thawed, 40 % is likely frozen and the remainder (28 %) is too uncertain to specify. The spatial pattern of GBaTSv2 is broadly similar to the previous synthesis, including a scalloped frozen core and thawed outlet-glacier systems. Although the likely basal thermal state of nearly half (46 %) of the ice sheet changed designation, the assigned state changed from likely frozen to likely thawed (or vice versa) for less than 6 % of the ice sheet. This revised synthesis suggests that more of northern Greenland is likely thawed at its bed and conversely that more of southern Greenland is likely frozen, both of which influence interpretation of the ice sheet's present subglacial hydrology and models of its future evolution. The GBaTSv2 dataset, including both code that performed the analysis and the resulting datasets, is freely available at https://doi.org/10.5281/zenodo.6759384 (MacGregor, 2022).

Joseph A. MacGregor↗

Wave Prediction using X-Band Radar (Final Summary Report)

Model Predictive Control (MPC) is the best controls framework available to wave energy today. It allows for the maximization of energy yield from a WEC system while respecting various constraints and losses in the system. This type of constrained optimization is a critical capability for the techno-economic optimization of WEC devices and is difficult to do effectively with causal controls frameworks. MPC requires a future prediction of wave excitation forces, requiring wave prediction on a future time horizon of up to 30 seconds. The future horizon required is highly dependent on the WEC and PTO type available. To our knowledge no-one has been able to implement MPC on a WEC device at sea, due to the fact that phase-resolved wave-prediction is not a capability that has been sufficiently developed to date. The key objectives of this project are focused on developing “industry-ready” wave prediction technology building blocks that can be applied to a wide range of different wave energy conversion topologies. Our collaborative work with device developers has demonstrated that the level of improvement attainable for any particular device is heavily dependent on the device and PTO topology chosen. The range of annual average power capture improvements is on the order of 10% to over 100%. However, the important aspect is that we can get within about 10% of theoretical upper limits even when considering errors in the wave prediction and more importantly, we can optimize performance while respecting various constraints such as motion amplitude or peak structural loads. The combination of improved performance while limiting structural loads has a net effect of reducing the levelized cost of energy from these emerging technologies and allows us to design control laws that meet an economic optimum. Efforts under a previous project on controls has focused on developing a set of wave-prediction algorithms that work by leveraging a network of wave sensing measurement buoys that are equipped with real-time telemetry. The present work is focusing primarily on using X-band radar to measure the wave-field around the WEC to predict the future excitation forces on the structure and combining the measurements of these different sources to create improvements in the wave-prediction accuracy.

16 TIDAL AND WAVE POWER↗

Issues in knowledge representation to support maintainability: A case study in scientific data preparation

Scientific data preparation is the process of extracting usable scientific data from raw instrument data. This task involves noise detection (and subsequent noise classification and flagging or removal), extracting data from compressed forms, and construction of derivative or aggregate data (e.g. spectral densities or running averages). A software system called PIPE provides intelligent assistance to users developing scientific data preparation plans using a programming language called Master Plumber. PIPE provides this assistance capability by using a process description to create a dependency model of the scientific data preparation plan. This dependency model can then be used to verify syntactic and semantic constraints on processing steps to perform limited plan validation. PIPE also provides capabilities for using this model to assist in debugging faulty data preparation plans. In this case, the process model is used to focus the developer's attention upon those processing steps and data elements that were used in computing the faulty output values. Finally, the dependency model of a plan can be used to perform plan optimization and runtime estimation. These capabilities allow scientists to spend less time developing data preparation procedures and more time on scientific analysis tasks. Because the scientific data processing modules (called fittings) evolve to match scientists' needs, issues regarding maintainability are of prime importance in PIPE. This paper describes the PIPE system and describes how issues in maintainability affected the knowledge representation used in PIPE to capture knowledge about the behavior of fittings.

Chien, Steve↗

Corona and solar wind

The Pinhole/Occulter Facility is a powerful tool for studying the physics of the extended corona and origins of the solar wind. Spectroscopic data acquired by the P/OF coronal instruments can greatly expand empirical information about temperatures, densities, flow velocities, magnetic fields, and chemical abundances in the corona out to r or approx. 10 solar radii. Such information is needed to provide tight empirical constraints on critical physical processes involved in the transport and dissipation of energy and momentum, the heating and acceleration of plasma, and the acceleration of energetic particles. Because of its high sensitivity, high spatial and temporal resolutions, and powerful capabilities for plasma diagnostics, P/OF can significantly increase our empirical knowledge about coronal streamers and transients and thereby advance the understanding of the physics of these phenomena. P/OF observations can be used to establish the role in solar wind generation, if any, of small-scale dynamical phenomena, such as spicules, macrospicules and coronal bullets, and the role of the fine-scale structures, such as polar plumes. Finally, simultaneous measurements by the P/OF coronal and hard X-ray instruments can provide critical empirical information concerning nonthermal energy releases and acceleration of energetic particles in the corona.

Withbroe, G. L.↗

Real time data acquisition for expert systems in Unix workstations at Space Shuttle Mission Control

A distributed system of proprietary engineering-class workstations is incorporated into NASA's Space Shuttle Mission-Control Center to increase the automation of mission control. The Real-Time Data System (RTDS) allows the operator to utilize expert knowledge in the display program for system modeling and evaluation. RTDS applications are reviewed including: (1) telemetry-animated communications schematics; (2) workstation displays of systems such as the Space Shuttle remote manipulator; and (3) a workstation emulation of shuttle flight instrumentation. The hard and soft real-time constraints are described including computer data acquisition, and the support techniques for the real-time expert systems include major frame buffers for logging and distribution as well as noise filtering. The incorporation of the workstations allows smaller programming teams to implement real-time telemetry systems that can improve operations and flight testing.

Muratore, John F.↗

Development and Analysis of Energy Absorbing Subfloor Concepts to Improve eVTOL Crashworthiness

To help ensure safe transportation within electric Vertical Take-off and Landing (eVTOL) vehicles the National Aeronautics and Space Administration (NASA) has been developing novel energy absorbing (EA) design technologies to improve crashworthiness within the unique design constraints of these vehicles. As part of this effort, a series of lightweight energy absorbing subfloor concepts were developed for potential use within eVTOL vehicle design. The capability of the subfloor designs was first evaluated through finite element (FE) model simulation in both component and vehicle level impact conditions. Knowledge gained from these analyses were used to iterate upon the design prior to fabrication. Fabrication and testing of the subfloor designs has begun and will be used to verify predicted capability. Results from FE model analysis was used to down select to a final subfloor geometry for additional component level optimization and full-scale test validation.

eVTOL↗

Development of Energy Absorbing Subfloor Concepts to Improve Crashworthiness of eVTOL Aircraft

To help ensure safe transportation within electric Vertical Take-off and Landing (eVTOL) vehicles the National Aeronautics and Space Administration (NASA) has been developing novel energy absorbing (EA) design technologies to improve crashworthiness within the unique design constraints of these vehicles. As part of this effort, a series of lightweight energy absorbing subfloor concepts were developed for potential use within eVTOL vehicle design. The capability of the subfloor designs was first evaluated through finite element (FE) model simulation in both component and vehicle level impact conditions. Knowledge gained from these analyses were used to iterate upon the design prior to fabrication. Fabrication and testing of the subfloor designs has begun and will be used to verify predicted capability. Results from FE model analysis was used to down select to a final subfloor geometry for additional component level optimization and full-scale test validation.

Crashworthiness↗

Longitudinal form Factors of A ≤ 10 Nuclei in a Chiral Effective Field Theory Approach

Here, in this work, we present the elastic electron scattering longitudinal form factors of A ≤ 10 nuclei computed in a variational Monte Carlo approach. We employ the Norfolk family of local chiral interactions and a consistent electromagnetic charge operator. Our calculations are compared both to data and past theoretical evaluations. This work represents, to our knowledge, the first accurate calculation of longitudinal form factors using manybody methods based on interacting nucleon degrees of freedom in the 7 ≤ A ≤ 10 mass range. Finally, we identify 9 Be and 10 B as candidate targets for renewed experimental interest, as they exhibit the potential to provide more stringent constraints on the theoretical models.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Surfer: An Extensible Pull-Based Framework for Resource Selection and Ranking

Grid computing aims to connect large numbers of geographically and organizationally distributed resources to increase computational power; resource utilization, and resource accessibility. In order to effectively utilize grids, users need to be connected to the best available resources at any given time. As grids are in constant flux, users cannot be expected to keep up with the configuration and status of the grid, thus they must be provided with automatic resource brokering for selecting and ranking resources meeting constraints and preferences they specify. This paper presents a new OGSI-compliant resource selection and ranking framework called Surfer that has been implemented as part of NASA's Information Power Grid (IPG) project. Surfer is highly extensible and may be integrated into any grid environment by adding information providers knowledgeable about that environment.

Zolano, Paul Z.↗

QLiG: Query Like a Graph For Subgraph Matching

A graph is a natural and flexible modeling approach to represent entities and relationships between them in real-world. A Knowledge Graphs (KG) is a specialized graph with formal and structured representation of facts, relationships, annotated with semantic descriptions. Subgraph matching is one of the fundamental graph problems to identify relationships, interactions and activities of interest within a large graph. A query specification is a collection of abstract components, operations, and constraints to express a pattern. The specification can be implemented in different ways based on underlying data model. Various graph query specifications have been developed over the years and have led to the development of different open-sourced and vendor-specific query languages. Such specification are modeled as an extension of relational algebra used to develop relational query languages such as SQL. Such relational concepts do not inherently support graph queries. There is a need to represent graph queries in terms on graph-based components to expedite query construction by non-database experts. We present a graph-based query approach QLiG (pronounced cleeg), to perform subgraph matching in Labeled Property Graph. We present the query specifications, salient features, and a use case to show functional examples.

Purohit, Sumit↗

Query Relaxation for LLM-Generated SPARQL Queries over Building Knowledge Graphs

When Knowledge Graph (KG) queries fail to match a pattern in a KG, they return no results. Identifying the statements causing these failures is tedious, especially for LLM-generated queries, which tend to be longer and more complex than queries written by hand. Query relaxation addresses this by systematically loosening query constraints until results are recovered. To evaluate the effectiveness of query relaxation against LLM generated queries, we propose a two-stage relaxation method combining triple deletion and path relaxation and test it against 1,823 failed queries for building KGs.

Paul, Lazlo↗

Simulated annealing in orbital flight planning

Simulated annealing is used to solve a minimum fuel trajectory problem in the space station environment. The environment is unique because the space station will define the first true multivehicle environment in space. The optimization yields surfaces which are potentially complex, with multiple local minima. Because of the likelihood of these local minima, descent techniques are unable to offer robust solutions. Other deterministic optimization techniques were explored without success. The simulated annealing optimization is capable of identifying a minimum-fuel, two-burn trajectory subject to four constraints. Furthermore, the computational efforts involved in the optimization are such that missions could be planned on board the space station. Potential applications could include the on-site planning of rendezvous with a target craft of the emergency rescue of an astronaut. Future research will include multiwaypoint maneuvers, using a knowledge base to guide the optimization.

Soller, Jeffrey↗

Ocean circulation modeling by use of radar altimeter data

The project will investigate the use of radar altimetry (RA) data in the determination of the ocean circulation models. RA data will be used to verify prognostic experiments of the steady state and seasonal cycle of large-scale circulation models and the statistical steady state of eddy-resolving models. The data will serve as initial and update conditions in data assimilation experiments and as constraints in inverse calculations. The aim of the project is a better understanding of ocean physics, the determination and mapping of ocean currents, and a contribution to the establishment of ocean circulation models for climate studies. The goal of the project is to use satellite radar altimetry data for improving our knowledge of ocean circulation both in a descriptive sense and through the physics that govern the circulation state. The basic tool is a series of ocean circulation models. Depending on the model, different techniques will be applied to incorporate the RA data.

Olbers, Dirk↗

Knowledge-based design of generate-and-patch problem solvers that solve global resource assignment problems

We present MENDER, a knowledge based system that implements software design techniques that are specialized to automatically compile generate-and-patch problem solvers that satisfy global resource assignments problems. We provide empirical evidence of the superior performance of generate-and-patch over generate-and-test: even with constrained generation, for a global constraint in the domain of '2D-floorplanning'. For a second constraint in '2D-floorplanning' we show that even when it is possible to incorporate the constraint into a constrained generator, a generate-and-patch problem solver may satisfy the constraint more rapidly. We also briefly summarize how an extended version of our system applies to a constraint in the domain of 'multiprocessor scheduling'.

Voigt, Kerstin↗

Object-Oriented Control System Design Using On-Line Training of Artificial Neural Networks

This report deals with the object-oriented model development of a neuro-controller design for permanent magnet (PM) dc motor drives. The system under study is described as a collection of interacting objects. Each object module describes the object behaviors, called methods. The characteristics of the object are included in its variables. The knowledge of the object exists within its variables, and the performance is determined by its methods. This structure maps well to the real world objects that comprise the system being modeled. A dynamic learning architecture that possesses the capabilities of simultaneous on-line identification and control is incorporated to enforce constraints on connections and control the dynamics of the motor. The control action is implemented "on-line", in "real time" in such a way that the predicted trajectory follows a specified reference model. A design example of controlling a PM dc motor drive on-line shows the effectiveness of the design tool. This will therefore be very useful in aerospace applications. It is expected to provide an innovative and noval software model for the rocket engine numerical simulator executive.

Rubaai, Ahmed↗

A Generic Inner-Loop Control Law Structure for Six-Degree-of-Freedom Conceptual Aircraft Design

A generic control system framework for both real-time and batch six-degree-of-freedom (6-DOF) simulations is presented. This framework uses a simplified dynamic inversion technique to allow for stabilization and control of any type of aircraft at the pilot interface level. The simulation, designed primarily for the real-time simulation environment, also can be run in a batch mode through a simple guidance interface. Direct vehicle-state acceleration feedback is required with the simplified dynamic inversion technique. The estimation of surface effectiveness within real-time simulation timing constraints also is required. The generic framework provides easily modifiable control variables, allowing flexibility in the variables that the pilot commands. A direct control allocation scheme is used to command aircraft effectors. Primary uses for this system include conceptual and preliminary design of aircraft, when vehicle models are rapidly changing and knowledge of vehicle 6-DOF performance is required. A simulated airbreathing hypersonic vehicle and simulated high-performance fighter aircraft are used to demonstrate the flexibility and utility of the control system.

Cox, Timothy H.↗