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All sources NASA NTRS DOE OSTI

DOE OSTI2026

Recoil-safe subtraction, matching and merging in e$^{+}$e$^{−}$ → hadrons

We present the first next-to-leading order matched and multi-jet merged predictions based on the Alaric parton shower. The components needed for infrared subtraction in the S-Mc@Nlo algorithm are computed analytically for the case of color singlet decays to hadronic final states and validated against existing approaches for up to e$^{−}$e$^{+}$ → 5 jets. Phenomenological results for e$^{−}$e$^{+}$ → hadrons at the Z pole are obtained with up to five jets at next-to-leading order precision, for the first time using an evolution algorithm with NLL-preserving kinematics mapping.

Höche, Stefan [Fermilab] (ORCID:0000000213706059)↗

DOE OSTI2024

Training quantum neural networks using the quantum information bottleneck method

Abstract We provide in this paper a concrete method for training a quantum neural network to maximize the relevant information about a property that is transmitted through the network. This is significant because it gives an operationally well founded quantity to optimize when training autoencoders for problems where the inputs and outputs are fully quantum. We provide a rigorous algorithm for computing the value of the quantum information bottleneck quantity within error ε that requires O ( log 2 ⁡ ( 1 / ϵ ) + 1 / δ 2 ) queries to a purification of the input density operator if its spectrum is supported on { 0 } ⋃ [ δ , 1 − δ ] for δ > 0 and the kernels of the relevant density matrices are disjoint. We further provide algorithms for estimating the derivatives of the QIB function, showing that quantum neural networks can be trained efficiently using the QIB quantity given that the number of gradient steps required is polynomial.

Çatlı, Ahmet Burak (ORCID:0000000152294141)↗

NASA NTRS2007

Evolutionary Optimization of a Geometrically Refined Truss

Structural optimization is a field of research that has experienced noteworthy growth for many years. Researchers in this area have developed optimization tools to successfully design and model structures, typically minimizing mass while maintaining certain deflection and stress constraints. Numerous optimization studies have been performed to minimize mass, deflection, and stress on a benchmark cantilever truss problem. Predominantly traditional optimization theory is applied to this problem. The cross-sectional area of each member is optimized to minimize the aforementioned objectives. This Technical Publication (TP) presents a structural optimization technique that has been previously applied to compliant mechanism design. This technique demonstrates a method that combines topology optimization, geometric refinement, finite element analysis, and two forms of evolutionary computation: genetic algorithms and differential evolution to successfully optimize a benchmark structural optimization problem. A nontraditional solution to the benchmark problem is presented in this TP, specifically a geometrically refined topological solution. The design process begins with an alternate control mesh formulation, multilevel geometric smoothing operation, and an elastostatic structural analysis. The design process is wrapped in an evolutionary computing optimization toolset.

Hull, P. V.↗

NASA NTRSDate not supplied

Earth Radiation Budget Climate Record Composed of Multiple Satellite Observations

Effects of cloud diurnal cycle on top-of-atmosphere (TOA) and surface regional monthly mean irradiances, climatological mean, and anomalies are analyzed using CERES derived TOA irradiances and surface irradiances computed with MODIS derived cloud properties. Cloud properties derived from Terra and Aqua MODIS are sufficient to capture cloud diurnal cycle to compute regional monthly mean surface irradiances. While missing cloud diurnal cycle leads to a biased TOA and surface regional irradiances for regions with a strong cloud diurnal cycle, monthly regional TOA and surface anomalies derived from one sun-synchronous orbit agrees well with those derived from two sun-synchronous orbits. Based on these results, the algorithm to produce Edition 4.2 CERES EBAF product is developed. Regional TOA and surface climatological means derived from one sun-synchronous orbit are adjusted to match corresponding climatological means derived from Terra+Aqua observations. This climatological adjustment approach is used to merge the Terra only period to the Terra+Aqua period and to extend the Terra and Aqua record by merging NOAA20 observations. Two additional differences of Edition 4.2 EBAF algorithm to compute surface irradiances compared to the earlier version are: 1) no geostationary satellite derived cloud properties are used and 2) temperature and humidity from MERRA-2 instead of GEOIS-5.4.1 are used. Once surface monthly regional mean irradiances are compared with surface observations, the agreement is equivalent to the agreement with the earlier version. However, because surface irradiances are not affected by geostationary satellite artifacts, regional surface irradiance anomaly time series is significantly improved, especially for longwave irradiances.

Seiji Kato↗

NASA NTRS1988

Grid generation for general 2-D regions using hyperbolic equations

A method for applying a hyperbolic grid generation scheme to the construction of meshes in general 2-D regions has been developed. This approach, which follows the theory developed by Steger and Chaussee (1980) and the algorithm outlined by Kinsey and Barth (1984), is based on improving local grid control. This is accomplished by adding an angle control source term to the equations and using a new algorithm for computing the volume source term. These modifications lead to superior methods for fixing the 'local' problems of hyperbolic grid generation, namely, propagation of initial discontinuities and formation of grid shocks (crossing grid lines). More importantly, a method for solving the global problem of constraining the grid with more than one boundary (internal grid generation) has been developed. These algorithms have been implemented in an interactive grid generation program and the results for several geometries are presented and discussed.

Cordova, Jeffrey Q.↗

NASA NTRS2005

Evolutionary optimization of a Genetically Refined Truss

Structural optimization is a field of research that has experienced noteworthy growth for many years. Researchers in this area have developed optimization tools to successfully design and model structures, typically minimizing mass while maintaining certain deflection and stress constraints. Numerous optimization studies have been performed to minimize mass, deflection and stress on a benchmark cantilever truss problem. Predominantly traditional optimization theory is applied to this problem. The cross-sectional area of each member is optimized to minimize the aforementioned objectives. This paper will present a structural optimization technique that has been previously applied to compliant mechanism design. This technique demonstrates a method that combines topology optimization, geometric refinement, finite element analysis, and two forms of evolutionary computation: Genetic Algorithms and Differential Evolution to successfully optimize a benchmark structural optimization problem. An non-traditional solution to the benchmark problem is presented in this paper, specifically a geometrically refined topological solution. The design process begins with an alternate control mesh formulation, multilevel geometric smoothing operation, and an elastostatic structural analysis. The design process is wrapped in an evolutionary computing optimization toolset.

Hull, Patrick V.↗

NASA NTRS2011

An Augmentation of G-Guidance Algorithms

The original G-Guidance algorithm provided an autonomous guidance and control policy for small-body proximity operations that took into account uncertainty and dynamics disturbances. However, there was a lack of robustness in regards to object proximity while in autonomous mode. The modified GGuidance algorithm was augmented with a second operational mode that allows switching into a safety hover mode. This will cause a spacecraft to hover in place until a mission-planning algorithm can compute a safe new trajectory. No state or control constraints are violated. When a new, feasible state trajectory is calculated, the spacecraft will return to standard mode and maneuver toward the target. The main goal of this augmentation is to protect the spacecraft in the event that a landing surface or obstacle is closer or further than anticipated. The algorithm can be used for the mitigation of any unexpected trajectory or state changes that occur during standard mode operations

Carson, John M. III↗

NASA NTRS2025

Generalized Reference Targeting for Spaceflight

For spaceflight programs to achieve some of the aggressive exploration initiatives such as visiting and landing on other celestial bodies, rendezvousing with other orbiting vehicles, and ultimately returning crew safely to Earth, an assortment of targeting algorithms to compute the necessary burns to strategically maneuver a spacecraft to a variety of destinations are required. Numerous examples exist, but rather than creating and implementing multiple targeting solutions, is it possible to have a general targeting model that can accommodate a variety of applications? Originally motivated for mission design and analysis purposes, this paper outlines a generalized reference targeting algorithm for spaceflight that may also have applications in on-orbit flight software. It accommodates arbitrary flight dynamics and both impulsive and finite burns for either absolute or relative targeting applications. It also allows for an arbitrary number of targeting design parameters such as multiple discrete correction burns or finite thrust parameters to satisfy numerous combinations of targeting constraints that can have fixed or variable time epochs. Given a reference trajectory, this targeting technique provides a general framework to quickly solve an assortment of targeting problems that may be well-defined, over-determined, or under-determined while naturally producing metrics providing insight into the controllability for a given problem formulation. Due to the derivation, speed, and accuracy of the algorithm, it lends to supporting rapid linear covariance analysis and robust trajectory design applications for a variety of flight phases such as rendezvous and docking, cislunar transfer, interplanetary flight, orbit maintenance, de-orbit, and powered descent and landing.

Targeting↗

NASA NTRS1990

Recursive dynamics for geared robot manipulators

The authors consider the dynamical modeling of robot manipulators whose joint actuators consist of motors driving the joints through gears. The dynamical models for such manipulators are significantly more complex than those for direct drive manipulators. The authors develop recursive O(n) inverse and forward dynamics algorithms as well as recursive O(n2) algorithms for the computation of the mass matrix for geared manipulators. It is shown that, despite the added complexity of the dynamical models for geared manipulators, the algorithms closely resemble the corresponding algorithms for direct drive manipulators, and that the additional algorithmic or computational complexity is relatively insignificant. As a consequence, with little additional cost, existing direct drive algorithms can be easily extended to handle the effects of gearing at the joints.

Jain, A.↗

DOE OSTI2021

Computable and Operationally Meaningful Multipartite Entanglement Measures

Multipartite entanglement is an essential resource for quantum communication, quantum computing, quantum sensing, and quantum networks. The utility of a quantum state |ψ$\rangle$ for these applications is often directly related to the degree or type of entanglement present in |ψ$\rangle$. Therefore, efficiently quantifying and characterizing multipartite entanglement is of paramount importance. Here, in this work, we introduce a family of multipartite entanglement measures, called concentratable entanglements. Several well-known entanglement measures are recovered as special cases of our family of measures, and hence we provide a general framework for quantifying multipartite entanglement. We prove that the entire family does not increase, on average, under local operations and classical communications. We also provide an operational meaning for these measures in terms of probabilistic concentration of entanglement into Bell pairs. Finally, we show that these quantities can be efficiently estimated on a quantum computer by implementing a parallelized SWAP test, opening up a research direction for measuring multipartite entanglement on quantum devices.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS1986

Cloud cover estimation using bispectral satellite measurements

An algorithm has been developed for cloud cover estimation using bispectral satellite measurements. Based on the distribution of pixels in albedo-brightness temperature space, a number of threshold values are applied to identify those pixels which are most likely totally cloud filled. Mean cloudy-column albedo in a region much larger than a single pixel is then estimated and cloud cover computed. The algorithm has been applied to the International Satellite Cloud Climatology Project Geostationary Meteorological Satellite B2 data. Locations of tropical convective cells and the passage of fronts in higher latitudes are identified. Since these features represent the states of large-scale atmospheric circulations, it is concluded that the algorithm can yield consistent cloud data sets useful for climate studies.

Chou, M.-D.↗

DOE OSTI2020

The Locus Algorithm IV: Performance metrics of a grid computing system used to create catalogues of optimised pointings

This paper discusses the requirements for and performance metrics of the the Grid Computing system used to implement the Locus Algorithm to identify optimum pointings for differential photometry of 61,662,376 stars and 23,779 quasars. Initial operational tests indicated a need for a software system to analyse the data and a High Performance Computing system to run that software in a scalable manner. Practical assessments of the performance of the software in a serial computing environment were used to provide a benchmark against which the performance metrics of the HPC solution could be compared, as well as to indicate any bottlenecks in performance. These performance metrics indicated a distinct split in the performance dictated more by differences in the input data than by differences in the design of the systems used. This indicates a need for experimental analysis of system performance, and suggests that algorithmic complexity analyses may lead to incorrect or naive conclusions, especially in systems with high data I/O overhead such as grid computing. Further, it implies that systems which reduce or eliminate this bottleneck such as in-memory processing could lead to a substantial increase in performance.

Creaner, Oisín↗

DOE OSTI2023

Domain Aware Deep-learning Algorithms Integrated with Scientific-computing Technologies (DADAIST)

This technical report summarized the contribution of the DADAIST project funded by the Data Model Convergence Initiative via the Laboratory Directed Research and Development (LDRD) investments at Pacific Northwest National Laboratory (PNNL). Specifically, we report the development of the NeuroMANCER (Neural Modules with Adaptive Nonlinear Constraints and Efficient Regularizations), a new open-source Scientific Machine Learning library for formulating and solving parametric constrained optimization problems, physics-informed system identification, and parametric optimal control problems. NeuroMANCER is using differentiable programming to combine modern data-driven models and optimization modeling language into a coherent algorithmic and software framework. NeuroMANCER is a Pytorch-based framework and adopts much of its philosophy focused on research and development, rapid prototyping, and streamlined deployment. Strong emphasis is given to extensibility, interoperability with the PyTorch ecosystem, and quick adaptability to custom domain problems. Neuromancer repository contains a comprehensive library of differentiable modules, including custom activation functions, matrix factorizations, deep learning architectures, neural differential equations, differential equation solvers, implicit layers such as iterative solvers, high-level API for symbolic expressions, API for modeling and control of dynamical systems, and extensive set of tutorial code examples in the form of python scripts and jupyter notebooks.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2022

Randomized Cholesky Preconditioning for Graph Partitioning Applications

A graph is a mathematical representation of a network; we say it consists of a set of vertices, which are connected by edges. Graphs have numerous applications in various fields, as they can model all sorts of connections, processes, or relations. For example, graphs can model intricate transit systems or the human nervous system. However, graphs that are large or complicated become difficult to analyze. This is why there is an increased interest in the area of graph partitioning, reducing the size of the graph into multiple partitions. For example, partitions of a graph representing a social network might help identify clusters of friends or colleagues. Graph partitioning is also a widely used approach to load balancing in parallel computing. The partitioning of a graph is extremely useful to decompose the graph into smaller parts and allow for easier analysis. There are different ways to solve graph partitioning problems. For this work, we focus on a spectral partitioning method which forms a partition based upon the eigenvectors of the graph Laplacian (details presented in Acer, et. al.). This method uses the LOBPCG algorithm to compute these eigenvectors. LOBPCG can be accelerated by an operator called a preconditioner. For this internship, we evaluate a randomized Cholesky (rchol) preconditioner for its effectiveness on graph partitioning problems with LOBPCG. We compare it with two standard preconditioners: Jacobi and Incomplete Cholesky (ichol). This research was conducted from August to December 2021 in conjunction with Sandia National Laboratories.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2021

A Contrast Calibration Protocol for X-ray Speckle Visibility Spectroscopy

X-ray free electron lasers, with their ultrashort highly coherent pulses, opened up the opportunity of probing ultrafast nano- and atomic-scale dynamics in amorphous and disordered material systems via speckle visibility spectroscopy. However, the anticipated count rate in a typical experiment is usually low. Therefore, visibility needs to be extracted via photon statistics analysis, i.e., by estimating the probabilities of multiple photons per pixel events using pixelated detectors. Considering the realistic X-ray detector responses including charge cloud sharing between pixels, pixel readout noise, and gain non-uniformity, speckle visibility extraction relying on photon assignment algorithms are often computationally demanding and suffer from systematic errors. In this paper, we present a systematic study of the commonly-used algorithms by applying them to an experimental data set containing small-angle coherent scattering with visibility levels ranging from below 1% to ∼60%. We also propose a contrast calibration protocol and show that a computationally lightweight algorithm can be implemented for high-speed correlation evaluation.

47 OTHER INSTRUMENTATION↗

DOE OSTI2024

Robust Measurements of n -Point Correlation Functions of Driven-Dissipative Quantum Systems on a Digital Quantum Computer

We propose and demonstrate a unified hierarchical method to measure n -point correlation functions that can be applied to driven, dissipative, or otherwise open or nonequilibrium quantum systems. In this method, the time evolution of the system is repeatedly interrupted by interacting an ancilla qubit with the system through a controlled operation, and measuring the ancilla immediately afterward. We discuss the robustness of this method as compared to other ancilla-based interferometric techniques (such as the Hadamard test), and highlight its advantages for near-term quantum simulations of open quantum systems. We implement the method on a quantum computer in order to measure single-particle Green’s functions of a driven-dissipative fermionic system. This Letter shows that dynamical correlation functions for driven-dissipative systems can be robustly measured with near-term quantum computers. Published by the American Physical Society 2024

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS1986

Dynamic remapping of parallel computations with varying resource demands

A large class of computational problems is characterized by frequent synchronization, and computational requirements which change as a function of time. When such a problem must be solved on a message passing multiprocessor machine, the combination of these characteristics lead to system performance which decreases in time. Performance can be improved with periodic redistribution of computational load; however, redistribution can exact a sometimes large delay cost. We study the issue of deciding when to invoke a global load remapping mechanism. Such a decision policy must effectively weigh the costs of remapping against the performance benefits. We treat this problem by constructing two analytic models which exhibit stochastically decreasing performance. One model is quite tractable; we are able to describe the optimal remapping algorithm, and the optimal decision policy governing when to invoke that algorithm. However, computational complexity prohibits the use of the optimal remapping decision policy. We then study the performance of a general remapping policy on both analytic models. This policy attempts to minimize a statistic W(n) which measures the system degradation (including the cost of remapping) per computation step over a period of n steps. We show that as a function of time, the expected value of W(n) has at most one minimum, and that when this minimum exists it defines the optimal fixed-interval remapping policy. Our decision policy appeals to this result by remapping when it estimates that W(n) is minimized. Our performance data suggests that this policy effectively finds the natural frequency of remapping. We also use the analytic models to express the relationship between performance and remapping cost, number of processors, and the computation's stochastic activity.

Nicol, D. M.↗

NASA NTRS1992

Linear system identification via backward-time observer models

Presented here is an algorithm to compute the Markov parameters of a backward-time observer for a backward-time model from experimental input and output data. The backward-time observer Markov parameters are decomposed to obtain the backward-time system Markov parameters (backward-time pulse response samples) for the backward-time system identification. The identified backward-time system Markov parameters are used in the Eigensystem Realization Algorithm to identify a backward-time state-space model, which can be easily converted to the usual forward-time representation. If one reverses time in the model to be identified, what were damped true system modes become modes with negative damping, growing as the reversed time increases. On the other hand, the noise modes in the identification still maintain the property that they are stable. The shift from positive damping to negative damping of the true system modes allows one to distinguish these modes from noise modes. Experimental results are given to illustrate when and to what extent this concept works.

Juang, Jer-Nan↗