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DOE OSTI2026

Architectural scaling tradeoffs in modular 3D bosonic quantum processors

We propose a modular three-dimensional bosonic quantum processor built from repeatable coupled-cavity modules linked by configurable interconnect networks. Using hardware-motivated graph-theoretic measures, we compare nearest-neighbor, hub-based, and hybrid architectures in terms of interconnect count, communication distance, resource concentration, and implementation complexity. Rather than identifying a universally optimal topology, our analysis shows how these architectures redistribute the costs of scaling, including wiring and port requirements, nonlocal communication distance, exposure to shared resources, routing bottlenecks, and scheduling overhead. Case studies of a \(3\times3\) processor and a larger hierarchical architecture further distinguish finite-size performance from asymptotic scaling. The resulting framework provides a systematic basis for evaluating modular three-dimensional bosonic processors and for identifying the device-level parameters required for quantitative hardware design.

Zhu, Shaojiang [Fermilab] (ORCID:0000000293180092)↗

NASA NTRS1992

Model based matching using simulated annealing and a minimum representation size criterion

We define the model based matching problem in terms of the correspondence and transformation that relate the model and scene, and the search and evaluation measures needed to find the best correspondence and transformation. Simulated annealing is proposed as a method for search and optimization, and the minimum representation size criterion is used as the evaluation measure in an algorithm that finds the best correspondence. An algorithm based on simulated annealing is presented and evaluated. This algorithm is viewed as a part of an adaptive, hierarchical approach which provides robust results for a variety of model based matching problems.

Ravichandran, B.↗

DOE OSTI2024

PANDORA: A Parallel Dendrogram Construction Algorithm for Single Linkage Clustering on GPU

This paper introduces Pandora, a parallel algorithm for computing dendrograms, the hierarchical cluster trees for single linkage clustering (SLC). Current parallel approaches construct dendrograms by partitioning a minimum spanning tree and removing edges. However, they struggle with skewed, hard-to-parallelize real-world dendrograms. Consequently, computing dendrograms is the sequential bottleneck in HDBSCAN*[21], a popular SLC variant. Pandora uses recursive tree contraction to address this limitation. Pandora contracts nodes to construct progressively smaller trees. It computes the smallest contracted dendrogram and expands it by inserting contracted edges. This recursive strategy is highly parallel, skew-independent, work-optimal, and well-suited for GPUs and multicores. We develop a performance portable implementation of Pandora in Kokkos[31] and evaluate its performance on multicore CPUs and multi-vendor GPUs (e.g., Nvidia, AMD) for dendrogram construction in HDBSCAN*. Multithreaded Pandora is 2.2x faster than the current best-multithreaded implementation. Our GPU version achieves 6-20x speedup on AMD GPUs and 10-37x on NVIDIA GPUs over multithreaded Pandora. Pandora removes HDBSCAN*’s sequential bottleneck, greatly boosting efficiency, particularly with GPUs.

Sao, Piyush↗

NASA NTRS1989

Trajectory generation of space telerobots

The purpose is to review a variety of trajectory generation techniques which may be applied to space telerobots and to identify problems which need to be addressed in future telerobot motion control systems. As a starting point for the development of motion generation systems for space telerobots, the operation and limitations of traditional path-oriented trajectory generation approaches are discussed. This discussion leads to a description of more advanced techniques which have been demonstrated in research laboratories, and their potential applicability to space telerobots. Examples of this work include systems that incorporate sensory-interactive motion capability and optimal motion planning. Additional considerations which need to be addressed for motion control of a space telerobot are described, such as redundancy resolution and the description and generation of constrained and multi-armed cooperative motions. A task decomposition module for a hierarchical telerobot control system which will serve as a testbed for trajectory generation approaches which address these issues is also discussed briefly.

Lumia, R.↗

NASA NTRS2016

Addressing the Big-Earth-Data Variety Challenge with the Hierarchical Triangular Mesh

We have implemented an updated Hierarchical Triangular Mesh (HTM) as the basis for a unified data model and an indexing scheme for geoscience data to address the variety challenge of Big Earth Data. We observe that, in the absence of variety, the volume challenge of Big Data is relatively easily addressable with parallel processing. The more important challenge in achieving optimal value with a Big Data solution for Earth Science (ES) data analysis, however, is being able to achieve good scalability with variety. With HTM unifying at least the three popular data models, i.e. Grid, Swath, and Point, used by current ES data products, data preparation time for integrative analysis of diverse datasets can be drastically reduced and better variety scaling can be achieved. In addition, since HTM is also an indexing scheme, when it is used to index all ES datasets, data placement alignment (or co-location) on the shared nothing architecture, which most Big Data systems are based on, is guaranteed and better performance is ensured. Moreover, our updated HTM encoding turns most geospatial set operations into integer interval operations, gaining further performance advantages.

SciDB↗

DOE OSTI2024

Constructing Highly Porous Low Iridium Anode Catalysts Via Dealloying for Proton Exchange Membrane Water Electrolyzers

Iridium (Ir) is the most active and durable anode catalyst for the oxygen evolution reaction (OER) for proton exchange membrane water electrolyzers (PEMWEs). However, their large-scale applications are hindered by high costs and scarcity of Ir. Lowering Ir loadings below 1.0 mgcm -2 causes significantly reduced PEMWE performance and durability. Therefore, developing efficient low Ir-based catalysts is critical to widely commercializing PEMWEs. Herein, an approach is presented for designing porous Ir metal aerogel (MA) catalysts via chemically dealloying IrCu alloys. In this study, the unique hierarchical pore structures and multiple channels of the Ir MA catalyst significantly increase electrochemical surface area (ECSA) and enhance OER activity compared to conventional Ir black catalysts, providing an effective solution to design low-Ir catalysts with improved Ir utilization and enhanced stability. An optimized membrane electrode assembly (MEA) with an Ir loading of 0.5 mg Ir cm -2 generated 2.0 A cm -2 at 1.79 V, higher than the Ir black at a loading of 2.0 mg Ir cm -2 (1.63 A cm -2 ). The low-Ir MEA demonstrated an acceptable decay rate of ≈40 µV h -1 during durability tests at 0.5 (>1200 h) and 2.0 A cm -2 (400 h), outperforming the commercial Ir-based MEA (175 µV h -1 at 2.0 mg Ir cm -2 ).

36 MATERIALS SCIENCE↗

NASA NTRS1985

Advances and trends in structures and dynamics; Proceedings of the Symposium, Washington, DC, October 22-25, 1984

Among the topics discussed are developments in structural engineering hardware and software, computation for fracture mechanics, trends in numerical analysis and parallel algorithms, mechanics of materials, advances in finite element methods, composite materials and structures, determinations of random motion and dynamic response, optimization theory, automotive tire modeling methods and contact problems, the damping and control of aircraft structures, and advanced structural applications. Specific topics covered include structural design expert systems, the evaluation of finite element system architectures, systolic arrays for finite element analyses, nonlinear finite element computations, hierarchical boundary elements, adaptive substructuring techniques in elastoplastic finite element analyses, automatic tracking of crack propagation, a theory of rate-dependent plasticity, the torsional stability of nonlinear eccentric structures, a computation method for fluid-structure interaction, the seismic analysis of three-dimensional soil-structure interaction, a stress analysis for a composite sandwich panel, toughness criterion identification for unidirectional composite laminates, the modeling of submerged cable dynamics, and damping synthesis for flexible spacecraft structures.

Noor, A. K.↗

NASA NTRS2023

Survival of Juvenile Florida Scrub-Jays is Habitat Specific, Positively Correlated With Month and Negatively Correlated With Male Breeder Death

Juvenile survival in birds is difficult to estimate but this vital rate can be an important consideration for management decisions. We estimated juvenile survival of cooperatively breeding Florida Scrub-Jays (Aphelocoma coerulescens) in a landscape degraded by fire suppression and fragmentation using data from marked (n = 325) and unmarked juveniles (n = 1,306) with an integrated hierarchical Bayesian model. To assess the combined analyses, we also analyzed these datasets separately, with a Cormack-Jolly-Seber (CJS) model (marked) and young model (unmarked). Our data consisted of monthly censuses of territorial family groups from Florida Scrub-Jay populations in East Central Florida collected over a 22-yr period. Juvenile survival was estimated from July when young Florida Scrub-Jays begin developing independence to March when they become first year individuals and grouped according to the habitat quality class of their natal territory that were based on shrub height (with intermediate shrub heights being optimal and short and tall shrub heights being suboptimal) and the presence of sandy openings (the preferred open having many sandy openings; closed not having enough). Parameter estimates in the combined analysis were intermediate to the separate analyses. Notable differences among the separate analyses were that suboptimal habitat survival was lower in the unmarked analysis, the unmarked analysis showed a linear effect of time not seen in the marked analysis, and there was an effect of male breeder death in the marked but not unmarked analysis. The combined data analysis provided more inference than did either data set analyzed separately including juveniles in optimal-closed territories unexpectedly had higher survival than those in optimal-open, survival increased through time, and male breeder death had a negative effect on survival. This study suggests that optimal-closed habitat may play an important role in juvenile Florida Scrub-Jay survival perhaps by providing better cover from predators and warrants further investigation for management implications.

Florida Scrub-Jay↗

DOE OSTI2024

Grid-Aware Charging and Operational Optimization for Mixed-Fleet Public Transit

The rapid growth of urban populations and the increasing need for sustainable transportation solutions have prompted a shift towards electric buses in public transit systems. However, the effective management of mixed fleets consisting of both electric and diesel buses poses significant operational challenges. One major challenge is coping with dynamic electricity pricing, where charging costs vary throughout the day. Transit agencies must optimize charging assignments in response to such dynamism while accounting for secondary considerations such as seating constraints. This paper presents a comprehensive mixed-integer linear programming (MILP) model to address these challenges by jointly optimizing charging schedules and trip assignments for mixed (electric and diesel bus) fleets while considering factors such as dynamic electricity pricing, vehicle capacity, and route constraints. We address the potential computational intractability of the MILP formulation, which can arise even with relatively small fleets, by employing a hierarchical approach tailored to the fleet composition. By using real-world data from the city of Chattanooga, Tennessee, USA, we show that our approach can result in significant savings in the operating costs of the mixed transit fleets.

Sen, Rishav↗

NASA NTRS1997

Dynamic Reconstruction and Multivariable Control for Force-Actuated, Thin Facesheet Adaptive Optics

The Multiple Mirror Telescope (MMT) under development at the University of Arizona takes a new approach in adaptive optics placing a large (0.65 m) force-actuated, thin facesheet deformable mirror at the secondary of an astronomical telescope, thus reducing the effects of emissivity which are important in IR astronomy. However, The large size of the mirror and low stiffness actuators used drive the natural frequencies of the mirror down into the bandwidth of the atmospheric distortion. Conventional adaptive optics takes a quasi-static approach to controlling the, deformable mirror. However, flexibility within the control bandwidth calls for a new approach to adaptive optics. Dynamic influence functions are used to characterize the influence of each actuator on the surface of the deformable mirror. A linearized model of atmospheric distortion is combined with dynamic influence functions to produce a dynamic reconstructor. This dynamic reconstructor is recognized as an optimal control problem. Solving the optimal control problem for a system with hundreds of actuators and sensors is formidable. Exploiting the circularly symmetric geometry of the mirror, and a suitable model of atmospheric distortion, the control problem is divided into a number of smaller decoupled control problems using circulant matrix theory. A hierarchic control scheme which seeks to emulate the quasi-static control approach that is generally used in adaptive optics is compared to the proposed dynamic reconstruction technique. Although dynamic reconstruction requires somewhat more computational power to implement, it achieves better performance with less power usage, and is less sensitive than the hierarchic technique.

Grocott, Simon C. O.↗

NASA NTRS1986

Automation effects in a multiloop manual control system

An experimental and analytical study was undertaken to investigate human interaction with a simple multiloop manual control system in which the human's activity was systematically varied by changing the level of automation. The system simulated was the longitudinal dynamics of a hovering helicopter. The automation-systems-stabilized vehicle responses from attitude to velocity to position and also provided for display automation in the form of a flight director. The control-loop structure resulting from the task definition can be considered a simple stereotype of a hierarchical control system. The experimental study was complemented by an analytical modeling effort which utilized simple crossover models of the human operator. It was shown that such models can be extended to the description of multiloop tasks involving preview and precognitive human operator behavior. The existence of time optimal manual control behavior was established for these tasks and the role which internal models may play in establishing human-machine performance was discussed.

Hess, R. A.↗

NASA NTRS1991

Control algorithm implementation for a redundant degree of freedom manipulator

This project's purpose is to develop and implement control algorithms for a kinematically redundant robotic manipulator. The manipulator is being developed concurrently by Odetics Inc., under internal research and development funding. This SBIR contract supports algorithm conception, development, and simulation, as well as software implementation and integration with the manipulator hardware. The Odetics Dexterous Manipulator is a lightweight, high strength, modular manipulator being developed for space and commercial applications. It has seven fully active degrees of freedom, is electrically powered, and is fully operational in 1 G. The manipulator consists of five self-contained modules. These modules join via simple quick-disconnect couplings and self-mating connectors which allow rapid assembly/disassembly for reconfiguration, transport, or servicing. Each joint incorporates a unique drive train design which provides zero backlash operation, is insensitive to wear, and is single fault tolerant to motor or servo amplifier failure. The sensing system is also designed to be single fault tolerant. Although the initial prototype is not space qualified, the design is well-suited to meeting space qualification requirements. The control algorithm design approach is to develop a hierarchical system with well defined access and interfaces at each level. The high level endpoint/configuration control algorithm transforms manipulator endpoint position/orientation commands to joint angle commands, providing task space motion. At the same time, the kinematic redundancy is resolved by controlling the configuration (pose) of the manipulator, using several different optimizing criteria. The center level of the hierarchy servos the joints to their commanded trajectories using both linear feedback and model-based nonlinear control techniques. The lowest control level uses sensed joint torque to close torque servo loops, with the goal of improving the manipulator dynamic behavior. The control algorithms are subjected to a dynamic simulation before implementation.

Cohan, Steve↗

NASA NTRS1995

A linguistic geometry for 3D strategic planning

This paper is a new step in the development and application of the Linguistic Geometry. This formal theory is intended to discover the inner properties of human expert heuristics, which have been successful in a certain class of complex control systems, and apply them to different systems. In this paper we investigate heuristics extracted in the form of hierarchical networks of planning paths of autonomous agents. Employing Linguistic Geometry tools the dynamic hierarchy of networks is represented as a hierarchy of formal attribute languages. The main ideas of this methodology are shown in this paper on the new pilot example of the solution of the extremely complex 3D optimization problem of strategic planning for the space combat of autonomous vehicles. This example demonstrates deep and highly selective search in comparison with conventional search algorithms.

Stilman, Boris↗

NASA NTRS1992

A mean field neural network for hierarchical module placement

This paper proposes a mean field neural network for the two-dimensional module placement problem. An efficient coding scheme with only O(N log N) neurons is employed where N is the number of modules. The neurons are evolved in groups of N in log N iteration steps such that the circuit is recursively partitioned in alternating vertical and horizontal directions. In our simulations, the network was able to find optimal solutions to all test problems with up to 128 modules.

Unaltuna, M. Kemal↗

DOE OSTI2025

An experimentally informed design process for future inertial confinement fusion facilities

The achievement of ignition in the laboratory has renewed interest in defining the requirements for a future high-gain inertial confinement fusion (ICF) facility. Our best chance of predicting future ICF performance is with 3-D radiation hydrodynamic simulations that have been benchmarked against experimental data, but their high computational cost is prohibitive for use in practical design studies. We introduce a hierarchical approach where 3-D simulations are tuned to match experimental measurements and used to train 3-D degradation models in 1-D simulations allowing for accurate predictions over the entire OMEGA direct-drive database. A genetic algorithm was used in combination with the trained 1-D simulations to search for optimal direct-drive implosion designs at driver energies ranging from 20 kJ to 10 MJ. As the fidelity of 3-D codes improves, this approach will provide a viable experimentally informed tool for defining the next ICF facility.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2025

CSGL: chemical synthesis graph learning for molecule representation

Abstract Motivation Molecule representation learning (MRL) translates molecules into a real vector space, serving as input to downstream tasks in biology, chemistry, and computer science. This article introduces a chemical synthesis graph learning (CSGL) framework, which enhances MRL by considering both the atomic structures of molecules and their roles in chemical reactions through a hierarchical graph representation. Specifically, molecules are first modeled based on their molecular graphs, which capture atomic-level structural information. They are then further refined using a chemical synthesis graph, where nodes represent reactant and product molecule sets, and edges encode chemical transformations between reactants and products (e.g. changes in molecular structures). CSGL optimizes molecular embeddings of reactant and product nodes in a fashion that ensures the embeddings conform to a chemical balance constraint. Results Experimental results show that our method CSGL achieves strong performance on a variety of tasks, including product prediction, reaction classification, and molecular property prediction. Availability and implementation https://github.com/li-2023/CSGL.

Biochemistry & Molecular Biology↗

NASA NTRS1989

Hierarchical Poly Tree computer architectures defined by computational multidisciplinary mechanics

This paper will develop an alternative computer architecture called the Poly Tree. Based on the requirements of computational mechanics and the concept of hierarchical substructuring, the paper will explore the development of problem-dependent parallel networks of processors which will enable significant, often superlinear, speed enhancements; provide a logical/efficient framework for linear/nonlinear and transient structural mechanics problems; and provide a logical framework from which to apply model reduction procedures. In addition, the paper will explore optimal processor arrangements which define the overall system granularity. Consideration will also be given to system I/O requirements.

Padovan, Joe↗

NASA NTRS1990

Expert system for multidisciplinary analysis and optimization using ASTROS

This paper discusses the framework of a Knowledge Based Expert System (KBES) environment to design aerospace structures under structural and aerodynamic constraints using ASTROS (Automated Structural Optimization program). ASTROS is a synthesis tool built around the NASTRAN finite element program. The knowledge base capabilities are discussed for synthesizing in statics, normal mode, steady and unsteady aerodynamic disciplines. A description of the two ASTROS advisor modules the Editor/Bulk Data generator and Post-processor is included. Experiences and issues involved in hierarchical representation of knowledge as menu options at different levels of abstraction are presented. A brief overview of Knowledge Based Systems and the shell CLIPS (C Language Integrated Production System) used to develop the ASTROS Advisor are discussed. Illustrative examples of the advisor in designing airframe structures are also included.

Sarma, Hari K.↗