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Results for “algorithmic differentiation”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 559 records · Page 31

A computer software system for the generation of global ocean tides including self-gravitation and crustal loading effects

A computer software system is described which computes global numerical solutions of the integro-differential Laplace tidal equations, including dissipation terms and ocean loading and self-gravitation effects, for arbitrary diurnal and semidiurnal tidal constituents. The integration algorithm features a successive approximation scheme for the integro-differential system, with time stepping forward differences in the time variable and central differences in spatial variables.

Estes, R. H.↗

High-accuracy computation of Delta V magnitude probability densities - Preliminary remarks

This paper describes an algorithm for the high accuracy computation of some statistical quantities of the magnitude of a random trajectory correction maneuver (TCM). The trajectory correction velocity increment Delta V is assumed to be a three-component random vector with each component being a normally distributed random scalar having a possibly nonzero mean. Knowledge of the statitiscal properties of the magnitude of a random TCM is important in the planning and execution of maneuver strategies for deep-space missions such as Galileo. The current algorithm involves the numerical integration of a set of differential equations. This approach allows the computation of density functions for specific Delta V magnitude distributions to high accuracy without first having to generate large numbers of random samples. Possible applications of the algorithm to maneuver planning, planetary quarantine evaluation, and guidance success probability calculations are described.

Chadwick, C.↗

Plasma equilibria with multiple ion species: Equations and algorithm

Axisymmetric equilibrium of a magnetically confined plasma with multiple ion species is considered. To describe hot plasmas with isothermal surfaces, we adopt a formulation consistent with zero poloidal ion flow. This formulation includes all magnetic field components and also correctly includes all effects of toroidal ion rotation. There are two free surface functions for each species and a third which is determined by a differential equation relating surface functions per species. We have developed and implemented an algorithm for the solution of the resulting nonlinear equations and found solutions with large charge and mass contrast among the ion species for both compact (r = 0 included) and annular (r = 0 excluded) domains. Our solution method allows for arbitrary domain shapes, includes far-field conditions, and treats any combination of electrically conducting or insulating walls. Appropriate surface functions are used to describe the transition from closed to open field plasma in a reasonable manner. Solutions for advanced fuel cycle fusion systems (both D-{sup 3}He and p-{sup 11}B) are presented to illustrate the power of the method. Finally, we briefly discuss the special issues associated with obtaining very elongated solutions and describe the algorithm for implementing these features.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Adiabatic quantum imaginary time evolution

We introduce an adiabatic state preparation protocol which implements quantum imaginary time evolution under the Hamiltonian of the system. Unlike the original quantum imaginary time evolution algorithm, adiabatic quantum imaginary time evolution does not require quantum state tomography during its runtime and, unlike standard adiabatic state preparation, the final Hamiltonian is not the system Hamiltonian. Instead, the algorithm obtains the adiabatic Hamiltonian by integrating a classical differential equation that ensures that one follows the imaginary time evolution state trajectory. We introduce some heuristics that allow this protocol to be implemented on quantum architectures with limited resources. We explore the performance of this algorithm via classical simulations in a one-dimensional spin model and highlight essential features that determine its cost, performance, and implementability for longer times, and compare to the original quantum imaginary time evolution for ground-state preparation. More generally, our algorithm expands the range of states accessible to adiabatic state preparation methods beyond those that are expressed as ground states of simple explicit Hamiltonians. Published by the American Physical Society 2024

Hejazi, Kasra (ORCID:000000032349478X)↗

Generalizing global error estimation for ordinary differential equations by using coupled time-stepping methods

Here, this study introduces new time-stepping strategies with built-in global error estimators. The new methods propagate the defect along with the numerical solution much like solving for the correction or Zadunaisky’s procedure; however, the proposed approach allows for overlapped internal computations and, therefore, represents a generalization of the classical numerical schemes for solving differential equations with global error estimation. The resulting algorithms can be effectively represented as general linear methods. Finally, several explicit self-starting schemes akin to Runge–Kutta methods with global error estimation are introduced, and the theoretical considerations are illustrated in several examples.

97 MATHEMATICS AND COMPUTING↗

Numerical Solution of the Inverse Scattering Problem for the Acoustic Equation in an Absorptive Layered Medium

We consider a nonlinear ordinary differential equation associated with a number of inverse scattering problems in acoustic and seismic sounding in which acoustic impedance and an impedance-dependent unknown damping coefficient are the unknown function. We prove that the Cauchy problem is uniquely solvable when the derivative is treated as a generalized function. It is established that the inverse scattering problem in a layered dissipative medium simultaneously determines the acoustic impedance and the damping coefficient. A regularized numerical algorithm is proposed and numerical results are reported.

97 MATHEMATICS AND COMPUTING↗

A Rainbow Coverage Path Planning for a Patrolling Mobile Robot With Circular Sensing Range

In this paper, we proposed a coverage path (CP) planning approach for a mobile robot moving in a dynamically changing environment. Our family of algorithms begins by finding the first path around the center of interior obstacles/disks of a given target region (TR) through the Graham scan algorithm. The first path is then used as a foundational path to generate a collision free, first order differentiable, and observable CP through a complete set of input and output transformation algorithms which together form the rainbow CP planning approach. The last algorithm of the rainbow CP planning approach finds a sufficient number of observation points on the CP needed to observe the TR. The novelty of our rainbow CP planning approach is that it partitions the TR into different shapes with different properties needed to obtain complete coverage while achieving first order path differentiability. The main technical contributions of the proposed approach is to provide a holistic solution that segments any TR, uses triangulation to determine the line of sights and observation points, and computes the collision-free CP within a quadratic runtime. The proposed method can be readily generalized to address problems of higher dimensions, and it is scalable with respect to the size of TR and the number of robots. Computer simulations are used to illustrate the effectiveness and correctness of the proposed approach.

54 ENVIRONMENTAL SCIENCES↗

End-to-end learning of multiple sequence alignments with differentiable Smith–Waterman

Abstract Motivation Multiple sequence alignments (MSAs) of homologous sequences contain information on structural and functional constraints and their evolutionary histories. Despite their importance for many downstream tasks, such as structure prediction, MSA generation is often treated as a separate pre-processing step, without any guidance from the application it will be used for. Results Here, we implement a smooth and differentiable version of the Smith–Waterman pairwise alignment algorithm that enables jointly learning an MSA and a downstream machine learning system in an end-to-end fashion. To demonstrate its utility, we introduce SMURF (Smooth Markov Unaligned Random Field), a new method that jointly learns an alignment and the parameters of a Markov Random Field for unsupervised contact prediction. We find that SMURF learns MSAs that mildly improve contact prediction on a diverse set of protein and RNA families. As a proof of concept, we demonstrate that by connecting our differentiable alignment module to AlphaFold2 and maximizing predicted confidence, we can learn MSAs that improve structure predictions over the initial MSAs. Interestingly, the alignments that improve AlphaFold predictions are self-inconsistent and can be viewed as adversarial. This work highlights the potential of differentiable dynamic programming to improve neural network pipelines that rely on an alignment and the potential dangers of optimizing predictions of protein sequences with methods that are not fully understood. Availability and implementation Our code and examples are available at: https://github.com/spetti/SMURF. Supplementary information Supplementary data are available at Bioinformatics online.

59 BASIC BIOLOGICAL SCIENCES↗

Binary operations on neuromorphic hardware with application to linear algebraic operations and stochastic equations

Abstract Non-von Neumann computational hardware, based on neuron-inspired, non-linear elements connected via linear, weighted synapses—so-called neuromorphic systems—is a viable computational substrate. Since neuromorphic systems have been shown to use less power than CPUs for many applications, they are of potential use in autonomous systems such as robots, drones, and satellites, for which power resources are at a premium. The power used by neuromorphic systems is approximately proportional to the number of spiking events produced by neurons on-chip. However, typical information encoding on these chips is in the form of firing rates that unarily encode information. That is, the number of spikes generated by a neuron is meant to be proportional to an encoded value used in a computation or algorithm. Unary encoding is less efficient (produces more spikes) than binary encoding. For this reason, here we present neuromorphic computational mechanisms for implementing binary two’s complement operations. We use the mechanisms to construct a neuromorphic, binary matrix multiplication algorithm that may be used as a primitive for linear differential equation integration, deep networks, and other standard calculations. We also construct a random walk circuit and apply it in Brownian motion simulations. We study how both algorithms scale in circuit size and iteration time.

97 MATHEMATICS AND COMPUTING↗

A Viscoelastic Hybrid Shell Finite Element

An elastic large displacement thick-shell hybrid finite element is modified to allow for the calculation of viscoelastic stresses. Internal strain variables are introduced at he element's stress nodes and are employed to construct a viscous material model. First order ordinary differential equations relate the internal strain variables to the corresponding elastic strains at the stress nodes. The viscous stresses are computed from the internal strain variables using viscous moduli which are a fraction of the elastic moduli. The energy dissipated by the action of the viscous stresses in included in the mixed variational functional. Nonlinear quasi-static viscous equilibrium equations are then obtained. Previously developed Taylor expansions of the equilibrium equations are modified to include the viscous terms. A predictor-corrector time marching solution algorithm is employed to solve the algebraic-differential equations. The viscous shell element is employed to numerically simulate a stair-step loading and unloading of an aircraft tire in contact with a frictionless surface.

Johnson, Arthur↗

Discriminating Phytoplankton Functional Types (PFTs) in the Coastal Ocean Using the Inversion Algorithm Phydotax and Airborne Imaging Spectrometer Data

There is a need in the Biological Oceanography community to discriminate among phytoplankton groups within the bulk chlorophyll pool to understand energy flow through ecosystems, to track the fate of carbon in the ocean, and to detect and monitor-for harmful algal blooms (HABs). The ocean color community has responded to this demand with the development of phytoplankton functional type (PFT) discrimination algorithms. These PFT algorithms fall into one of three categories depending on the science application: size-based, biogeochemical function, and taxonomy. The new PFT algorithm Phytoplankton Detection with Optics (PHYDOTax) is an inversion algorithm that discriminates taxon-specific biomass to differentiate among six taxa found in the California Current System: diatoms, dinoflagellates, haptophytes, chlorophytes, cryptophytes, and cyanophytes. PHYDOTax was developed and validated in Monterey Bay, CA for the high resolution imaging spectrometer, Spectroscopic Aerial Mapping System with On-board Navigation (SAMSON - 3.5 nm resolution). PHYDOTax exploits the high spectral resolution of an imaging spectrometer and the improved spatial resolution that airborne data provides for coastal areas. The objective of this study was to apply PHYDOTax to a relatively lower resolution imaging spectrometer to test the algorithm's sensitivity to atmospheric correction, to evaluate capability with other sensors, and to determine if down-sampling spectral resolution would degrade its ability to discriminate among phytoplankton taxa. This study is a part of the larger Hyperspectral Infrared Imager (HyspIRI) airborne simulation campaign which is collecting Airborne Visible/Infrared Imaging Spectrometer (AVIRIS) imagery aboard NASA's ER-2 aircraft during three seasons in each of two years over terrestrial and marine targets in California. Our aquatic component seeks to develop and test algorithms to retrieve water quality properties (e.g. HABs and river plumes) in both marine and in-land water bodies. Results presented are from the 10 April 2013 overflight of the Monterey Bay region and focus primarily on the first objective - sensitivity to atmospheric correction. On-going and future work will continue to evaluate if PHYDOTax can be applied to historical (SeaWiFS and MERIS), existing (MODIS, VIIRS, and HICO), and future (PACE, GEO-CAPE, and HyspIRI) satellite sensors. Demonstration of cross-platform continuity may aid in calibration and validation efforts of these sensors.

Biological Oceanography↗

Differentiable physics-enabled closure modeling for Burgers’ turbulence

Abstract Data-driven turbulence modeling is experiencing a surge in interest following algorithmic and hardware developments in the data sciences. We discuss an approach using the differentiable physics paradigm that combines known physics with machine learning to develop closure models for Burgers’ turbulence. We consider the one-dimensional Burgers system as a prototypical test problem for modeling the unresolved terms in advection-dominated turbulence problems. We train a series of models that incorporate varying degrees of physical assumptions on an a posteriori loss function to test the efficacy of models across a range of system parameters, including viscosity, time, and grid resolution. We find that constraining models with inductive biases in the form of partial differential equations that contain known physics or existing closure approaches produces highly data-efficient, accurate, and generalizable models, outperforming state-of-the-art baselines. Addition of structure in the form of physics information also brings a level of interpretability to the models, potentially offering a stepping stone to the future of closure modeling.

97 MATHEMATICS AND COMPUTING↗

Quasi-Static Viscoelastic Finite Element Model of an Aircraft Tire

An elastic large displacement thick-shell mixed finite element is modified to allow for the calculation of viscoelastic stresses. Internal strain variables are introduced at the element's stress nodes and are employed to construct a viscous material model. First order ordinary differential equations relate the internal strain variables to the corresponding elastic strains at the stress nodes. The viscous stresses are computed from the internal strain variables using viscous moduli which are a fraction of the elastic moduli. The energy dissipated by the action of the viscous stresses is included in the mixed variational functional. The nonlinear quasi-static viscous equilibrium equations are then obtained. Previously developed Taylor expansions of the nonlinear elastic equilibrium equations are modified to include the viscous terms. A predictor-corrector time marching solution algorithm is employed to solve the algebraic-differential equations. The viscous shell element is employed to computationally simulate a stair-step loading and unloading of an aircraft tire in contact with a frictionless surface.

Johnson, Arthur R.↗

Syntheses of terminal control for nonlinear stationary controlled system under incomplete information

By constructing a Luenberger-type asymptotic observer, a method of finding the control function, that ensures the translation of a class of nonlinear stationary control systems of ordinary differential equations from the initial state to a given final state taking into account the actual measured values, was developed. A constructive criterion guaranteeing the existence of solution of this problem was found. An algorithm is proposed for constructing a control function that transfer wide class of nonlinear systems of ordinary differential equations from an initial state to an fixed state. The algorithm is convenient for numerical implementation. A constructive condition is obtained for which this transfer is possible.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

New approach to QCD final-state evolution in processes with massive partons

We present an algorithm for massive parton evolution which is based on the differentially accurate simulation of soft-gluon radiation by means of a nontrivial azimuthal angle dependence of the splitting functions. The kinematics mapping is chosen such as to reflect the symmetry of the final state in soft-gluon radiation and collinear splitting processes. We compute the counterterms needed for a fully differential next-to-leading order matching and discuss the analytic structure of the parton shower in the next-to-leading logarithmic limit. We implement the new algorithm in the numerical code Alaric and present a first comparison to experimental data. Published by the American Physical Society 2024

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

A Computational Framework to design 3D stiffness gradient acoustic metamaterials for impedance matching

Acoustic waves play a crucial role in various applications, including medical imaging, non-destructive testing, and sonar systems. One of the significant challenges in these applications is impedance matching, which is essential for minimizing reflections and maximizing the transfer of acoustic energy between different media. Acoustic metamaterials offer a promising solution to this challenge. In addition to impedance control, gradient stiffness can enhance structural efficiency and enable spatial control of wave propagation, making it a valuable feature in acoustic metamaterial design. In this pa- per, we present our developed computational method to design 3D stiffness gradient acoustic metamaterials for impedance matching. The key steps in our approach include generating initial designs using a periodic covariance function to provide unit cells that are both periodic on the boundaries and randomly formed inside the unit cell. Furthermore, we integrated manufacturing constraints into the design process, ensuring that the structures are interconnected for fabrication. We propose two computational optimization algorithms: GenUnit, based on a non-dominated sorting genetic algorithm (NSGA-II), and MLMatch, which leverages differentiable machine learning. The two approaches are not separate contributions but complementary com- ponents of a unified framework. GenUnit requires no training data and directly interfaces with physics-based simulations, making it highly accurate but slower for large-scale exploration. In contrast, MLMatch is data-hungry during training but, once trained, enables near-instantaneous inference and broad design-space coverage. Together, they form a hybrid strategy: ML- Match rapidly explores the global design space, and GenUnit provides local refinement with high-fidelity accuracy. This balance between training cost, inference time, and precision is the motivation for including both methods in the same study. We applied this dual-algorithm framework to generate two metallic-based metamaterial designs that match the acoustic impedance of water while exhibiting a controlled gradient in stiffness (from stiff to soft). The stiffness gradient is particularly advantageous in applications where one side of the structure must interface with soft or sensitive surfaces, such as human tissue or delicate components. Here, this work paves the way for improved materials in various acoustic applications, particularly in ultrasound devices, by providing better impedance.

Metamaterial↗

Informing nuclear physics via machine learning methods with differential and integral experiments

Information from differential nuclear-physics experiments and theory is often too uncertain to accurately define nuclear-physics observables such as cross sections or energy spectra. Integral experimental data, representing the applications of these observables, are often more precise but depend simultaneously on too many of them to unambiguously identify issues in the observable with human expert analysis alone. Here, we explore how we can leverage physics knowledge gained from differential experimental data, nuclear theory, integral experiments, and neutron-transport calculations to better understand nuclear-physics observables in the context of the application area represented by integral experiments. We support this task with machine-learning methods to discern trends in a large amount of convoluted data. Differential and integral information was used in an analysis augmented by the random forest and the Shapley additive explanations metric. We chose as an application area one that is represented by criticality measurements and pulsed-sphere neutron-leakage spectra. We show one representative example ( 241 Pu fission observables) where the combination of differential and integral information allowed to resolve issues in data representing these observables. As a starting point, the machine learning (ML) algorithms highlighted several observables as leading potentially to bias in simulating integral experiments. Differential information, paired with sensitivity to integral quantities, allowed us then to pinpoint one specific observable ( 241 Pu fission cross section) as the main driver of bias. The comparison to integral experiments, on the other hand, allowed us to indicate a likely reliable experiment among several discrepant ones for this observables. In other cases (e.g., 239 Pu observables), we were not able to resolve the confounding introduced by integral experiments but instead highlighted the need for targeted new experiments and theory developments to better constrain the nuclear-physics space for the application area represented by integral experiments. We were able to combine information from differential experimental data, nuclear-physics theory, integral experiments, and neutron-transport simulations of the latter experiments with the help of the random forest algorithm and expert judgment. This combination of knowledge allows to improve our description of nuclear-physics observables as applied to a particular application area.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

A Robust Segmented Mixed Effect Regression Model for Baseline Electricity Consumption Forecasting

Renewable energy production has been surging around the world in recent years. To mitigate the increasing uncertainty and intermittency of the renewable generation, proactive demand response algorithms and programs are proposed and developed to further improve the utilization of load flexibility and increase the efficiency of power system operation. One of the biggest challenges to efficient control and operation of demand response resources is how to forecast the baseline electricity consumption and estimate the load impact from demand response resources accurately. In this paper, we propose a mixed effect segmented regression model and a new robust estimate for forecasting the baseline electricity consumption in Southern California, USA, by combining the ideas of random effect regression model, segmented regression model, and the least trimmed squares estimate. Since the log-likelihood of the considered model is not differentiable at breakpoints, we propose a new backfitting algorithm to estimate the unknown parameters. The estimation performance of the new estimation procedure has been demonstrated with both simulation studies and the real data application for the electric load baseline forecasting in Southern California.

42 ENGINEERING↗