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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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At least 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Root-N Krylov-space correction vectors for spectral functions with the density matrix renormalization group

In this work, we propose a method to compute spectral functions of generic Hamiltonians using the density matrix renormalization group (DMRG) algorithm directly in the frequency domain, based on a modified Krylov-space decomposition to compute the correction vectors. Our approach entails the calculation of the root-N (N=2 is the standard square root) of the Hamiltonian propagator using Krylov-space decomposition and repeating this procedure N times to obtain the actual correction vector. We show that our method greatly alleviates the burden of keeping a large bond dimension at large target frequencies, a problem found with conventional correction-vector DMRG, whereas achieving better computational performance at large N. We apply our method to spin and charge spectral functions of t-J and Hubbard models in the challenging two-leg ladder geometry and provide evidence that the root-N approach reaches a much improved spectral resolution compared to the conventional correction vector.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

A resolution independent neural operator

The Deep operator network (DeepONet) is a powerful yet simple neural operator architecture that utilizes two deep neural networks to learn mappings between infinite-dimensional function spaces. This architecture is highly flexible, allowing the evaluation of the solution field at any location within the desired domain. However, it imposes a strict constraint on the input space, requiring all input functions to be discretized at the same locations; this limits its practical applications. Here, in this work, we introduce a general framework for operator learning from input–output data with arbitrary number and locations of sensors. This begins by introducing a resolution-independent DeepONet (RI-DeepONet), enabling it to handle input functions that are arbitrarily, but sufficiently finely, discretized. To this end, we propose two dictionary learning algorithms to adaptively learn a set of appropriate continuous basis functions, parameterized as implicit neural representations (INRs), from correlated signals defined on arbitrary point cloud data. These basis functions are then used to project arbitrary input function data as a point cloud onto an embedding space (i.e., a vector space of finite dimensions) with dimensionality equal to the dictionary size, which can be directly used by DeepONet without any architectural changes. In particular, we utilize sinusoidal representation networks (SIRENs) as trainable INR basis functions. The introduced dictionary learning algorithms are then used in a similar way to learn an appropriate dictionary of basis functions for the output function data, which defines a new neural operator architecture referred to as the R esolution I ndependent N eural O perator (RINO). In the RINO, the operator learning task simplifies to learning a mapping from the coefficients of input basis functions to the coefficients of output basis functions. We demonstrate the robustness and applicability of RINO in handling arbitrarily (but sufficiently richly) sampled input and output functions during both training and inference through several numerical examples.

Deep operator network (DeepONet)↗
DOE OSTI2019

Error Analysis of ZFP Compression for Floating-Point Data

Compression of floating-point data will play an important role in high-performance computing as data bandwidth and storage become dominant costs. Lossy compression of floating-point data is powerful, but theoretical results are needed to bound its errors when used to store look-up tables, simulation results, or even the solution state during the computation. In this paper, we analyze the round-off error introduced by ZFP, a lossy compression algorithm. Here, the stopping criteria for ZFP depends on the compression mode specified by the user: fixed rate, fixed accuracy, or fixed precision [P. Lindstrom, ZFP 0.5.3 Documentation, 2018]. While most of our discussion is focused on the fixed precision mode of ZFP, we establish a bound on the error introduced by all three compression modes. In order to tightly capture the error, first we introduce a vector space that allows us to work with binary representations of components. Under this vector space, we define operators that implement each step of the ZFP compression and decompression to establish a bound on the error caused by ZFP. To conclude, numerical tests are provided to demonstrate the accuracy of the established bounds.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

Analysis of Circulating Harmonic Currents in Paralleled Three Level ANPC Inverters using SVM

In paralleled voltage source inverters (VSI), circulating current has both high frequency and low frequency components, and its spectrum highly depends on the modulation scheme. Previous research has mostly focused on the circulating current suppression for paralleled two-level VSIs. Little literature exists on similar analysis for paralleled three-level VSIs using space vector modulation. A detailed circulating current spectrum on full frequency range has not been well developed. This paper presents an improved analytical model for three-level space vector modulation (SVM), considering the impacts of regularly sampled reference and dead time. Then, circulating harmonic currents are determined across the full frequency range for various interleaving angles of two three-level ANPC inverters. The calculated harmonics are also verified by experimental results.

Niu, Jiahao↗
DOE OSTI2024

A double copy from twisted (co)homology at genus one

We study the twisted (co)homology of a family of genus-one integrals — the so called Riemann-Wirtinger integrals. These integrals are closely related to one-loop string amplitudes in chiral splitting where one leaves the loop-momentum, modulus and all but one puncture un-integrated. While not actual one-loop string integrals, they share many properties and are simple enough that the associated twisted (co)homologies have been completely characterized [1]. Using intersection numbers — an inner product on the vector space of allowed differential forms — we derive the Gauss-Manin connection for two bases of the twisted cohomology providing an independent check of [2]. We also use the intersection index — an inner product on the vector space of allowed contours — to derive a double-copy formula for the closed-string analogues of Riemann-Wirtinger integrals (one-dimensional integrals over the torus). Similar to the celebrated KLT formula between open- and closed-string tree-level amplitudes, these intersection indices form a genus-one KLT-like kernel defining bilinears in meromorphic Riemann-Wirtinger integrals that are equal to their complex counterparts.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Simple and Robust Carrier-Based PWM Technique for Single-Stage Three-phase Rectifier Indirect Matrix Converter

Indirect matrix converters (IMC) can offer high efficiency, high power density, and bidirectional power flow capability with a single-stage three-to single-phase AC-AC power conversion integrating a conventional three-phase active rectifier with a primary side full-bridge inverter of a dual active bridge converter. However, the IMCs generally require space vector modulation techniques, leading to complex sectors and dwell times calculations. A practical implementation of the modulation methods with a commonly used digital signal processor becomes even more challenging when considering power factor correction, harmonics reduction, and deadtime between sector transitions. This paper proposes a simple and robust carrier-based pulse width modulation (PWM) technique determined through a voltage-source inverter (VSI) to current-source inverter (CSI) to IMC conversion. This translation enables the adoption of all conventional VSI control methods with active and reactive power control in the IMCs through simple carrier and reference waveform comparison. The VSI vectors are first one-on-one matched with CSI vectors and translated to IMC modulation signals without calculating sectors and dwell times. Nine different carrier waveforms are proposed, and the converter performance is analyzed. Grid current THD and efficiency are estimated for each modulation method. The symmetric A and B methods had the lowest THD of the grid current, 2.80%, and the efficiency remained at approximately 98.3%, making it the most suitable carrier-based method proposed in this paper. The space vector PWM (SVPWM) modulation method was implemented to the DSP and generated the expected twelve gate signals.

Benson, Mikayla↗
DOE OSTI2018

Retrofitting Word Embeddings with the UMLS Metathesaurus for Clinical Information Extraction

Deep learning has surged in popularity and proven to be effective for various artificial intelligence applications including information extraction from cancer pathology reports. Since word representation is a core unit that enables deep learning algorithms to understand words and be able to perform NLP, this representation must include as much information as possible to help these algorithms achieve high classification performance. Therefore, in this work in addition to the distributional information of words in large sized corpora, we use UMLS vocabulary resources to enrich the vector space representation of words with the semantic relations between words. These resources provide many terminologies pertaining to cancer. The refined word embeddings are used with a convolutional neural (CNN) model to extract four data elements from cancer pathology reports; ICD-O-3 tumor topography codes, tumor laterality, behavior, and histological grade. We observed that using UMLS vocabulary resources to enrich word embeddings of CNN models consistently outperformed CNN models without pre-training word embeddings and even with pre-trained word embeddings on a domain specific corpus across all four tasks. The results show marginal improvement on the laterality task, but a significant improvement on the other tasks, especially for the macro-f score. Specifically, the improvements are 3%, 13%, and 15% for tumor site, histological grade, and behavior tasks, respectively. This approach is encouraging to enrich word embeddings with more clinical data resources to be used for information abstraction tasks from clinical pathology reports.

Alawad, Mohammed↗
DOE OSTI2018

Unwinding the amplituhedron in binary

We present new, fundamentally combinatorial and topological characterizations of the amplituhedron. Upon projecting external data through the amplituhedron, the resulting configuration of points has a specified (and maximal) generalized “winding number”. Equivalently, the amplituhedron can be fully described in binary: canonical projections of the geometry down to one dimension have a specified (and maximal) number of “sign flips” of the projected data. The locality and unitarity of scattering amplitudes are easily derived as elementary consequences of this binary code. Minimal winding defines a natural “dual” of the amplituhedron. This picture gives us an avatar of the amplituhedron purely in the configuration space of points in vector space (momentum-twistor space in the physics), a new interpretation of the canonical amplituhedron form, and a direct bosonic understanding of the scattering super-amplitude in planar N = 4 SYM as a differential form on the space of physical kinematical data.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Reliability Improvement by Fault-Tolerant Operation of NPC Inverter for Motor Driving

The high-reliability operation of three-level inverters is crucial to prevent equipment damage, process downtime, and economic losses. This article investigates a three-level neutral-point-clamped inverter under all possible combinations of open-circuit and short-circuit faults and proposes a new postfault operation method without adding extra hardware. This method provides comprehensive solution for operations after single and multiple-device failures, increasing the inverter reliability by 24%. This article classified postfault modulations and uncovered previously unknown fault scenarios that can be addressed using the proposed control method. A new postfault modulation based on space vector modulation with virtual vectors is proposed. The feasibility of the proposed control method is verified by simulation and an experiment for one fault scenario in a three-level neutral-point-clamped inverter with a 3.73 kW motor load. Furthermore, this article contributes to improving the reliability of three-level inverters.

42 ENGINEERING↗
DOE OSTI2018

An Active Modulation Scheme to Boost Voltage Utilisation of the Dual Converter with a Floating Bridge

This paper proposes a capacitor voltage regulation method for the dual converter with a floating bridge for aerospace applications. This topology has previously been reported, but with a constrained voltage utilisation factor due to the need for capacitor voltage regulations. The effect of switching states on the voltage variation of capacitor is quantitatively modelled and an enhanced space vector modulation scheme with current feedback is proposed to achieve an active control of the floating capacitor voltages. This proposed method also allows further exploitation and utilisation of converter voltage. The relationship between the allowed modulation index of dual converter and load power factor is obtained and expressed using a fitted polynomial equation. The advantages of the proposed method include boosted voltage utilisation and superior performance in term of capacitor voltage balance. These advantages have been proven through simulation and experimental results on RL loads as well as with an open-end winding induction motor. The proposed modulation scheme can boost the converter voltage utilisation by at least 10% while achieving full four-level operation. More importantly, the higher available voltage allows extending the constant torque region of the motor, the further beginning of field weakening operation could be postponed.

42 ENGINEERING↗
DOE OSTI2025

Replacing non-biomedical concepts improves embedding of biomedical concepts

Embeddings are semantically meaningful representations of words in a vector space, commonly used to enhance downstream machine learning applications. Traditional biomedical embedding techniques often replace all synonymous words representing biological or medical concepts with a unique token, ensuring consistent representation and improving embedding quality. However, the potential impact of replacing non-biomedical concept synonyms has received less attention. Embedding approaches often employ concept replacement to replace concepts that span multiple words, such as non-small-cell lung carcinoma, with a single concept identifier (e.g., D002289). Also, all synonyms of each concept are merged into the same identifier. Here, we additionally leveraged WordNet to identify and replace sets of non-biomedical synonyms with their most common representatives. This combined approach aimed to reduce embedding noise from non-biomedical terms while preserving the integrity of biomedical concept representations. We applied this method to 1,055 biomedical concept sets representing molecular signatures or medical categories and assessed the mean pairwise distance of embeddings with and without non-biomedical synonym replacement. A smaller mean pairwise distance was interpreted as greater intra-cluster coherence and higher embedding quality. Embeddings were generated using the Word2Vec algorithm applied to a corpus of 10 million PubMed abstracts. Our results demonstrate that the addition of non-biomedical synonym replacement reduced the mean intra-cluster distance by an average of 8%, suggesting that this complementary approach enhances embedding quality. Future work will assess its applicability to other embedding techniques and downstream tasks. Python code implementing this method is provided under an open-source license.

algorithms↗
DOE OSTI2025

First Order Transport of a Cold Uniform Ellipsoid of Charge

A single particle has a 6-element phase space vector $s = (x, γv)$ where $γv =\frac{p}{m}$ s proportional to the relativistic momentum. The ellipsoid is represented by a 21-element vector $(s, C, V)$ where $s$ is the phase space location of the centroid. $C$ is the 3 × 3 covariance matrix defined by $C_{ij} = ⟨δx_iδx_j⟩$, where $δx$ is the distance of a particle from the centroid $x$. $C$ is symmetric so only counts as 6 elements of the overall vector. $V$ is a general 3 × 3 matrix that determines the velocity distribution in the bunch by $δ(γv) = Vδx$. In total this makes 6 + 6 + 9 = 21 elements.

43 PARTICLE ACCELERATORS↗
DOE OSTI2018

Eigenvector Continuation with Subspace Learning

A common challenge faced in quantum physics is finding the extremal eigenvalues and eigenvectors of a Hamiltonian matrix in a vector space so large that linear algebra operations on general vectors are not possible. There are numerous efficient methods developed for this task, but they generally fail when some control parameter in the Hamiltonian matrix exceeds some threshold value. In this Letter we present a new technique called eigenvector continuation that can extend the reach of these methods. The key insight is that while an eigenvector resides in a linear space with enormous dimensions, the eigenvector trajectory generated by smooth changes of the Hamiltonian matrix is well approximated by a very low-dimensional manifold. We prove this statement using analytic function theory and propose an algorithm to solve for the extremal eigenvectors. We benchmark the method using several examples from quantum many-body theory.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Facial Named Entity Recognition by Attention-Based Graph Convolutional Neural Network

In the realm of facial recognition and analysis, the ability to accurately cluster large datasets of facial images stands as a cornerstone for various applications, ranging from security surveillance to user biometric identification. This project evolves a novel approach to facial data clustering by embedding facial images into a high-dimensional vector space using an advanced embedding model trained on separate data and assumes a graph-like structure on the high-dimensional vectors. We find our method works significantly better than common shallow methods.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

The structural information filtered features (SIFF) potential: Maximizing information stored in machine-learning descriptors for materials prediction

Machine learning inspired potentials continue to improve the ability for predicting structures of materials. However, many challenges still exist, particularly when calculating structures of disordered systems. These challenges are primarily due to the rapidly increasing dimensionality of the feature-vector space which in most machine-learning algorithms is dependent on the size of the structure. In this article, we present a feature-engineered approach that establishes a set of principles for representing potentials of physical structures (crystals, molecules, and clusters) in a feature space rather than a physically motivated space. Our goal in this work is to define guiding principles that optimize information storage of the physical parameters within the feature representations. In this manner, we focus on keeping the dimensionality of the feature space independent of the number of atoms in the structure. Our Structural Information Filtered Features (SIFF) potential represents structures by utilizing a feature vector of low-correlated descriptors, which correspondingly maximizes information within the descriptor. We present results of our SIFF potential on datasets composed of disordered (carbon and carbon–oxygen) clusters, molecules with C 7 O 2 H 2 stoichiometry in the GDB9-14B dataset, and crystal structures of the form (Al x Ga y In z ) 2 O 3 as proposed in the NOMAD Kaggle competition. Our potential's performance is at least comparable, sometimes significantly more accurate, and often more efficient than other well-known machine-learning potentials for structure prediction. However, primarily, we offer a different perspective on how researchers should consider opportunities in maximizing information storage for features.

36 MATERIALS SCIENCE↗
DOE OSTI2018

A simple procedure for construction of the orthonormal basis vectors of irreducible representations of O(5) in the O T ( 3 ) Ⓧ O N ( 2 ) basis

We report a simple and effective algebraic isospin projection procedure for constructing orthonormal basis vectors of irreducible representations of O(5) ⊃ OT(3) Ⓧ O$_\mathscr{N}$ (2) from those in the canonical O(5) ⊃ SU Λ (2) Ⓧ SU I (2) basis is outlined. The expansion coefficients are components of null space vectors of the projection matrix with four nonzero elements in each row in general. Explicit formulae for evaluating O T (3)-reduced matrix elements of O(5) generators are derived.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗