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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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All sources NASA NTRS DOE OSTI

DOE OSTI2025

Exact solution of the frustrated Potts model with next-nearest-neighbor interactions in one dimension via AI bootstrapping

The one-dimensional (1D) 𝐽 1 −𝐽 2 𝑞-state Potts model is solved exactly for arbitrary 𝑞 by analytically block-diagonalizing the original 𝑞 2 ×𝑞 2 transfer matrix into a simple 2 × 2 maximally symmetric subspace, based on using OpenAI's reasoning model o3-mini-high to exactly solve the 𝑞 = 3 case. Furthermore, by matching relevant subspaces, we map the Potts model onto a simpler effective 1D 𝑞-state Potts model, where 𝐽 2 acts as the nearest-neighbor interaction and 𝐽 1 as an effective magnetic field, nontrivially generalizing a 56-year-old theorem previously limited to the simplest case (𝑞 = 2, the Ising model). Our exact results provide insights to phenomena such as atomic or electronic order stacking in layered materials and the emergence of dome-shaped phases in complex phase diagrams. In conclusion, this work is anticipated to fuel both research in 1D frustrated magnets for recently discovered finite-temperature application potentials and the fast moving topic area of AI in science.

1-dimensional spin chains↗

DOE OSTI2025

Subspace-Driven Learning for Anomaly Detection in Process Transients

Nuclear power plant (NPP) monitoring and diagnostic centers are actively investigating and implementing automated anomaly detection algorithms to help plants catch anomalies sooner, thereby preventing or reducing the duration of unexpected shutdowns. Current machine learning-based anomaly detection methods are expected to be highly effective during stable, full-power operations because NPPs typically operate as baseload power generators, meaning there are extensive operating data available from plant equipment. However, it is expected that anomaly detection methods will face significant challenges during transient conditions (i.e., when power output falls below full power) because plants only occasionally operate at these lower power levels, generating sparse transient operational data, and resulting in false alarms or missed detections. Here, to address this issue, transfer learning is used, which for this problem leverages knowledge (in the form of learned features) from stable, full-power operations to improve detection accuracy during transient conditions, even with limited data. In this effort, a novel subspace approach is developed to transfer a subset of the data features from full power operation to transients. This approach is validated through experiments using synthetic data and was found to outperform two baseline transfer learning approaches in anomaly detection performance across a range of amounts of transient data used in the training process.

46 - INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AN↗

NASA NTRS1989

Model reduction and control of flexible structures using Krylov subspaces

Krylov vectors and the concept of parameter-matching are combined to develop a model reduction algorithm for a damped structural dynamics system. The reduced-order model obtained matches a certain number of low-frequency moments of the full-order system. The major application of the present method is to the control of flexible structures. It is shown that, in the control of flexible structures, there generally exist three types of control energy spillover, namely, the control spillover, the observation spillover, and dynamic spillover. The formulation based on Krylov subspaces can eliminate the control and the observation spillover, while leaving only the dynamic spillover to be considered. Two examples are used to illustrate the efficacy of the Krylov method.

Craig, Roy R., Jr.↗

DOE OSTI2018

BootCMatch: A Software Package for Bootstrap AMG Based on GraphWeighted Matching

This article has two main objectives: one is to describe some extensions of an adaptive Algebraic Multigrid (AMG) method of the form previously proposed by the first and third authors, and a second one is to present a new software framework, named BootCMatch, which implements all the components needed to build and apply the described adaptive AMG both as a stand-alone solver and as a preconditioner in a Krylov method. The adaptive AMG presented is meant to handle general symmetric and positive definite (SPD) sparse linear systems, without assuming any a priori information of the problem and its origin; the goal of adaptivity is to achieve a method with a prescribed convergence rate. The presented method exploits a general coarsening process based on aggregation of unknowns, obtained by a maximum weight matching in the adjacency graph of the system matrix. More specifically, a maximum product matching is employed to define an effective smoother subspace (complementary to the coarse space), a process referred to as compatible relaxation, at every level of the recursive two-level hierarchical AMG process. Results on a large variety of test cases and comparisons with related work demonstrate the reliability and efficiency of the method and of the software.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS2011

Visual Object Recognition and Tracking of Tools

A method has been created to automatically build an algorithm off-line, using computer-aided design (CAD) models, and to apply this at runtime. The object type is discriminated, and the position and orientation are identified. This system can work with a single image and can provide improved performance using multiple images provided from videos. The spatial processing unit uses three stages: (1) segmentation; (2) initial type, pose, and geometry (ITPG) estimation; and (3) refined type, pose, and geometry (RTPG) calculation. The image segmentation module files all the tools in an image and isolates them from the background. For this, the system uses edge-detection and thresholding to find the pixels that are part of a tool. After the pixels are identified, nearby pixels are grouped into blobs. These blobs represent the potential tools in the image and are the product of the segmentation algorithm. The second module uses matched filtering (or template matching). This approach is used for condensing synthetic images using an image subspace that captures key information. Three degrees of orientation, three degrees of position, and any number of degrees of freedom in geometry change are included. To do this, a template-matching framework is applied. This framework uses an off-line system for calculating template images, measurement images, and the measurements of the template images. These results are used online to match segmented tools against the templates. The final module is the RTPG processor. Its role is to find the exact states of the tools given initial conditions provided by the ITPG module. The requirement that the initial conditions exist allows this module to make use of a local search (whereas the ITPG module had global scope). To perform the local search, 3D model matching is used, where a synthetic image of the object is created and compared to the sensed data. The availability of low-cost PC graphics hardware allows rapid creation of synthetic images. In this approach, a function of orientation, distance, and articulation is defined as a metric on the difference between the captured image and a synthetic image with an object in the given orientation, distance, and articulation. The synthetic image is created using a model that is looked up in an object-model database. A composable software architecture is used for implementation. Video is first preprocessed to remove sensor anomalies (like dead pixels), and then is processed sequentially by a prioritized list of tracker-identifiers.

English, James↗

DOE OSTI2017

Simplex ACE: a constrained subspace detector

In hyperspectral target detection, one must contend with variability in both target materials and background clutter. While most algorithms focus on the background clutter, there are some materials for which there is substantial variability in the signatures of the target. When multiple signatures can be used to describe a target material, subspace detectors are often the detection algorithm of choice. However, as the number of variable target spectra increases, so does the size of the target subspace spanned by these spectra, which in turn increases the number of false alarms. Here in this paper, we propose a modification to this approach, wherein the target subspace is instead a constrained subspace, or a simplex without the sum-to-one constraint. We derive the simplex adaptive matched filter (simplex AMF) and the simplex adaptive cosine estimator (simplex ACE), which are constrained basis adaptations of the traditional subspace AMF and subspace ACE detectors. We present results using simplex AMF and simplex ACE for variable targets, and compare their performances against their subspace counterparts. Our primary interest is in the simplex ACE detector, and as such, the experiments herein seek to evaluate the robustness of simplex ACE, with simplex AMF included for comparison. Results are shown on hyperspectral images using both implanted and ground-truthed targets, and demonstrate the robustness of simplex ACE to target variability.

42 ENGINEERING↗

DOE OSTI2024

Factorized visual representations in the primate visual system and deep neural networks

Object classification has been proposed as a principal objective of the primate ventral visual stream and has been used as an optimization target for deep neural network models (DNNs) of the visual system. However, visual brain areas represent many different types of information, and optimizing for classification of object identity alone does not constrain how other information may be encoded in visual representations. Information about different scene parameters may be discarded altogether (‘invariance’), represented in non-interfering subspaces of population activity (‘factorization’) or encoded in an entangled fashion. In this work, we provide evidence that factorization is a normative principle of biological visual representations. In the monkey ventral visual hierarchy, we found that factorization of object pose and background information from object identity increased in higher-level regions and strongly contributed to improving object identity decoding performance. We then conducted a large-scale analysis of factorization of individual scene parameters – lighting, background, camera viewpoint, and object pose – in a diverse library of DNN models of the visual system. Models which best matched neural, fMRI, and behavioral data from both monkeys and humans across 12 datasets tended to be those which factorized scene parameters most strongly. Notably, invariance to these parameters was not as consistently associated with matches to neural and behavioral data, suggesting that maintaining non-class information in factorized activity subspaces is often preferred to dropping it altogether. Thus, we propose that factorization of visual scene information is a widely used strategy in brains and DNN models thereof.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS2017

Subspace-based Background Subtraction Applied to Aeroacoustic Wind Tunnel Testing

A subspace-based form of background subtraction is presented and applied to aeroacoustic wind tunnel data. A variant of this method has seen use in other fields such as climatology and medical imaging. The technique is based on an eigenvalue decomposition of the background noise cross-spectral matrix. Simulated results indicate similar performance to conventional background subtraction when the subtracted spectra are weaker than the true contaminating background levels. Superior performance is observed when the subtracted spectra are stronger than the true contaminating background levels, and when background data do not match between measurements. Experimental results show limited success in recovering signal behavior for data in which conventional background subtraction fails. The results also demonstrate the subspace subtraction technique's ability to maintain a physical coherence relationship in the modified cross-spectral matrix. Deconvolution results from microphone phased array data indicate that array integration methods are largely insensitive to subtraction type, and that background subtraction with appropriate background data is an effective alternative to diagonal removal.

deconvolution↗

DOE OSTI2025

Datasets for Custom-trained Machine-learning Interatomic Potentials: Nitric Acid Aqueous Solution

This dataset was generated using an iterative active learning strategy with the ArcaNN software package (https://github.com/arcann-chem/arcann_training) to train machine-learning interatomic potentials (MLIPs) for aqueous nitric acid. Each active-learning cycle consisted of three stages: (1) training, (2) exploration, and (3) labeling. The initial training set comprised approximately 800 randomly selected configurations from a previous study by Lewis et al. (https://doi.org/10.1021/jp205510q), which investigated nitric acid solutions at 2, 3, 4, and 5 mol/L. For all configurations, single-point calculations of atomic forces and total energies were performed at the quantum density functional theory BLYP-D2 and PBE-D3 levels of theory using the CP2K Quickstep module. Valence electrons were treated explicitly, while core electrons on all atoms were represented by norm-conserving Goedecker–Teter–Hutter (GTH) pseudopotentials. Long-range dispersion interactions were accounted for using Grimme dispersion corrections. Wave functions were expanded in a mixed Gaussian-and-plane-wave scheme using TZV2P-MOLOPT basis sets for all elements and an 800 Ry auxiliary plane-wave cutoff for the electron density. Self-consistent field convergence was accelerated using orbital transformation and Direct Inversion in the Iterative Subspace, with a convergence threshold of 10^{-6}. All single-point calculations were carried out in periodic orthorhombic cells whose dimensions match those of the molecular configurations sampled from earlier trajectories. The CELL_REF keyword in CP2K was used to define a fixed reference cell, ensuring consistency in the reference data used for MLIP training, particularly when cell fluctuations are present in NpT simulations. The resulting high-fidelity energies and forces constitute the ground-truth labels used to train the MLIPs contained in this dataset.

Dinpajooh, Mohammadhasan [Pacific Northwest Nation↗

DOE OSTI2020

N 5 -Scaling Excited-State-Specific Perturbation Theory

In this paper, we show that by working in a basis similar to that of the natural transition orbitals and using a modified zeroth-order Hamiltonian, the cost of a recently introduced perturbative correction to excited-state mean field theory can be reduced from seventh to fifth order in the system size. The (occupied) 2 (virtual) 3 asymptotic scaling matches that of ground-state second-order Møller-Plesset theory but with a significantly higher prefactor because the bottleneck is iterative: it appears in the Krylov-subspace-based solution of the linear equation that yields the first-order wave function. Here, we discuss the details of the modified zeroth-order Hamiltonian we use to reduce the cost and the automatic code generation process we used to derive and verify the cost scaling of the different terms. Overall, we find that our modifications have little impact on the method's accuracy, which remains competitive with singles and doubles equation-of-motion coupled cluster.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1993

Binary tree eigen solver in finite element analysis

This paper presents a transputer-based binary tree eigensolver for the solution of the generalized eigenproblem in linear elastic finite element analysis. The algorithm is based on the method of recursive doubling, which parallel implementation of a number of associative operations on an arbitrary set having N elements is of the order of o(log2N), compared to (N-1) steps if implemented sequentially. The hardware used in the implementation of the binary tree consists of 32 transputers. The algorithm is written in OCCAM which is a high-level language developed with the transputers to address parallel programming constructs and to provide the communications between processors. The algorithm can be replicated to match the size of the binary tree transputer network. Parallel and sequential finite element analysis programs have been developed to solve for the set of the least-order eigenpairs using the modified subspace method. The speed-up obtained for a typical analysis problem indicates close agreement with the theoretical prediction given by the method of recursive doubling.

Akl, F. A.↗

NASA NTRS1989

Controller reduction by preserving impulse response energy

A model order reduction algorithm based on a Krylov recurrence formulation is developed to reduce order of controllers. The reduced-order controller is obtained by projecting the full-order LQG controller onto a Krylov subspace in which either the controllability or the observability grammian is equal to the identity matrix. The reduced-order controller preserves the impulse response energy of the full-order controller and has a parameter-matching property. Two numerical examples drawn from other controller reduction literature are used to illustrate the efficacy of the proposed reduction algorithm.

Craig, Roy R., Jr.↗

DOE OSTI2018

Searching for Induced Seismicity at Punggye-ri Nuclear Test Site Using Subspace Detectors

The most recent declared nuclear test (DPRK-6) at the North Korean Punggye-ri nuclear test site was an order of magnitude larger than any of the previous explosions, and for the first time was accompanied by additional seismicity large enough to be observed at regional distances. The first such event was a collapse about 8.5 min after the explosion, and this was followed by three earthquakes over the next several weeks. Signals from these earthquakes recorded at four stations were used to build subspace detectors, which were then used to scan the available data for previously unobserved events near the test site. The time period scanned extends from early 2009 until March 2018, and in that time four explosions, the collapse event, the three template events, and 30–37 additional template-matched events were detected. (Seven of the detections are low-reliability single-station detections at station MDJ.) Most of the events occurred within the weeks following DPRK-6. Thirteen of the detected events have been located. These events form two clusters, both to the northwest of the test site. The first cluster is about 3 km from the test site and contains an event that occurred in 2016 (before DPRK-5) as well as two of the last events detected in this work. The second cluster is about 6 km northwest of the test site and contains only events that occurred after the last test. Both clusters appear to be quite compact. The north–south extent of the clusters is well constrained by the observations to be less than 1–2 km. Moreover, the relatively high correlation coefficients in the 2–8 Hz band also argue for small separations between events. These events are hypothesized to have occurred on a northwest-striking fault plane that passes near or under the Punggye-ri test site. High stress state (inferred from low b-values) supports the idea that each cluster is located at an asperity on the hypothesized fault plane. Prior to DPRK-3, no events were observed from either cluster, but since DPRK-3 there has been at least one event per year. This is consistent with stress change triggering behavior observed elsewhere and suggests that all these events were triggered by stress changes on the asperities due to the explosions.

58 GEOSCIENCES↗

DOE OSTI2020

Sampling Low-Dimensional Markovian Dynamics for Preasymptotically Recovering Reduced Models from Data with Operator Inference

This work introduces a method for learning low-dimensional models from data of high-dimensional black-box dynamical systems. The novelty is that the learned models are exactly the reduced models that are traditionally constructed with classical projection-based model reduction techniques. Thus, the proposed approach learns models that are guaranteed to have the well-studied properties of reduced models known from model reduction, without requiring full knowledge of the governing equations and without requiring the operators of the high-dimensional systems. The key ingredient is a new data sampling scheme to obtain re-projected trajectories of high-dimensional systems that correspond to Markovian dynamics in low-dimensional subspaces. The exact recovery of reduced models from these re-projected trajectories is guaranteed pre-asymptotically under certain conditions for finite amounts of data and for a large class of systems with polynomial nonlinear terms. Numerical results demonstrate that the low-dimensional models learned with the proposed approach match reduced models from traditional model reduction up to numerical errors in practice. In conclusion, the numerical results further indicate that low-dimensional models fitted to re-projected trajectories are predictive even in situations where models fitted to trajectories without re-projection are inaccurate and unstable.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2024

Optimal Zeno Dragging for Quantum Control: A Shortcut to Zeno with Action-Based Scheduling Optimization

The quantum Zeno effect asserts that quantum measurements inhibit simultaneous unitary dynamics when the “collapse” events are sufficiently strong and frequent. This applies in the limit of strong continuous measurement or dissipation. It is possible to implement a dissipative control that is known as “Zeno dragging” by dynamically varying the monitored observable, and hence also the eigenstates, which are attractors under Zeno dynamics. This is similar to adiabatic processes, in that the Zeno-dragging fidelity is highest when the rate of eigenstate change is slow compared to the measurement rate. We demonstrate here two theoretical methods for using such dynamics to achieve control of quantum systems. The first, which we shall refer to as “shortcut to Zeno,” is analogous to the shortcuts to adiabaticity (counterdiabatic driving) that are frequently used to accelerate unitary adiabatic evolution. In the second approach, we apply the Chantasri-Dressel-Jordan stochastic action [PRA 88, 042110 (2013)], and demonstrate that the extremal-probability readout paths derived from this are well suited to setting up a Pontryagin-style optimization of the Zeno-dragging schedule. A fundamental contribution of the latter approach is to show that an action suitable for measurement-driven control optimization can be derived quite generally from statistical arguments. Implementing these methods on the Zeno dragging of a qubit, we find that both approaches yield the same solution, namely, that the optimal control is a unitary that matches the motion of the Zeno-monitored eigenstate. We then show that such a solution can be more robust than a unitary-only operation and we comment on solvable generalizations of our qubit example embedded in larger systems. These methods open up new pathways toward systematically developing dynamic control of Zeno subspaces to realize dissipatively stabilized quantum operations. Published by the American Physical Society 2024

Physics↗

DOE OSTI2019

Active Subspace Methods for Data-Intensive Inverse Problems

Fostered by advances in computing, simulation and data science have emerged as the third and fourth paradigms enabling scientific discovery. Many mathematical challenges arise when integrating these paradigms to produce new knowledge. One of the most important challenges is the inverse or calibration problem: find the inputs of a simulation such that its outputs agree with a given set of measurements. As both the cost of the complex simulations and the volume of measurement data sets increase, intuition-driven trial-and-error methods for calibration quickly become untenable; modern scientists need more computationally efficient and mathematically rigorous methods. When measurements and simulated predictions contain uncertainty, the Bayesian perspective on statistical inference provides a popular mathematical framework for developing computational methods to solve inverse problems. Markov chain Monte Carlo (MCMC) methods are a mainstay of this framework; they characterize a probability distribution on the space of model inputs that is conditioned on the given measurements. However, despite recent advances, MCMC methods remain impractical for expensive simulations with more than a handful of inputs. At its heart, MCMC searches the space of inputs for corresponding outputs that match measurements, and so it is afflicted with the curse of dimensionality. Additionally, MCMC methods become less efficient as the volume of the measurement data increases, particularly if the measurements are redundant. To make MCMC—and Bayesian methods, in general—amenable to today’s computer models with millions of inputs and terabytes of measurement data, one must devise methods to reduce the dimension of both the simulation inputs and the measurements. For many models used in practice, the outputs vary primarily on a low-dimensional manifold of the nominally high-dimensional input space. Recently developed active subspace methods discover this low-dimensional manifold and exploit it to enable analyses typically suited for low-dimensional settings (e.g., statistical inversion of complex systems). We hypothesize that active subspace methods can provide the necessary dimension reduction, enabling existing Bayesian methods to find solutions for a large class of otherwise intractable statistical inverse problems. We will test the hypothesis with a series of mathematical analyses and computational experiments that will proceed along three research veins: (i) integrating active subspace methods into methods for statistical inversion, (ii) addressing current challenges in active subspace methods, and (iii) incorporating methods for nonlinear dimensionality reduction into active subspace methods. We will apply the methods we develop to real inverse problems in chemical kinetics and turbulent flame modeling. Our team combines expertise in methods for inverse problems, dimension reduction, and reduced order modeling. With a history of active collaboration and thoughtful engagement, we bring enthusiasm and fresh perspectives to a well studied subject. We are excited by the potential opportunity to work together to extend and apply active subspace methods to data-intensive inverse problems.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2019

Active Subspace Methods for Data-Intensive Inverse Problems (Final Report)

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2022

Assessing the Effectiveness of Generalized Likelihood Ratio Test Detector Schemes in Seismic Event Detection and the Avoidance of Nontarget Signals

Cross-correlation techniques have played a long-standing and pivotal role in seismic event monitoring. However, the performance of correlation-based detectors is challenged by nuisance seismicity, or nontarget signals. Such detections are a problem when the mission is to automatically map events to the correct source region. Using aftershocks of the 2014 $M_w$ 6.0 South Napa, California, earthquake, we demonstrate the effectiveness of utilizing a dynamic correlation processor framework in a generalized likelihood ratio test (GLRT) detector configuration to minimize nontarget detections. A GLRT maximizes a detection statistic with respect to one or more unknown parameters. In this case, the detection statistic is a template signal match against the waveform in a window sliding over a data stream, and the unknown parameter is an index variable indicating group membership of the template event or events. Detected events are assigned to the event group that yields the largest detection statistic. In this work, our results show that a GLRT detector will outperform a suite of independently operating correlation and subspace detectors in terms of having a lower nontarget detection rate at a given missed detection rate. We also show that a GLRT detector composed of a few high-rank subspace detectors has a slightly higher nontarget detection rate, but a significantly lower missed detection rate, than a GLRT detector composed of many low-rank subspace detectors. The high-rank GLRT configuration produced impressive results even with marginal data (single channel, single station, and very low time bandwidth product), which bodes well for the utility of building efficient aftershock classification systems and global monitoring systems at larger scales. However, future work is required to assess performance at the regional scale and to assess the performance of the system at detecting target events not used in the detector template creation.

58 GEOSCIENCES↗