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At least 1,171 records · Page 65
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Performance evaluations of signed and unsigned noisy approximate quantum Fourier arithmetic

The Quantum Fourier Transform (QFT) grants competitive advantages, especially in resource usage and circuit approximation, for performing arithmetic operations on quantum computers, and offers a potential route toward a numerical quantum-computational paradigm. In this paper, we utilize efficient techniques to implement QFT-based integer addition and multiplications. These operations are fundamental to various quantum applications including Shor’s algorithm, weighted-sum optimization problems in data processing and machine learning, and quantum algorithms requiring inner products. We carry out performance evaluations of these implementations based on IBM’s superconducting-qubit architecture using different compatible noise models. We isolate the sensitivity of the component quantum circuits on both one-/two-qubit gate error rates, and the number of the arithmetic operands’ superposed integer states. We analyze performance and identify the most effective approximation depths for unsigned quantum addition and quantum multiplication within the given context. We then perform a similar analysis of signed addition and compare to the unsigned results. We observe significant dependency of the optimal approximation depth on the degree of machine noise and the number of superposed states in certain performance regimes. Finally, we elaborate on the algorithmic challenges—relevant to signed, unsigned, modular and non-modular versions—that could also be applied to current implementations of QFT-based subtraction, division, exponentiation, and their potential tensor extensions. Here, we analyze the performance trends in our results and speculate on possible future developments within this computational paradigm.

Computational models↗
DOE OSTI2020

Machine Learning Analysis of Direct Dynamics Trajectory Outcomes for Thermal Deazetization of 2,3-Diazabicyclo[2.2.1]hept-2-ene

Experimentally, the thermal gas-phase deazetization of 2,3-diazabicyclo[2.2.1]hept-2-ene (1) results in the loss of N2 and the formation of bicyclo products 3 (exo) and 4 (endo) in a nonstatistical ratio, with preference for the exo product. Here, we report unrestricted M06-2X quasiclassical trajectories initialized from the concerted N2 ejection transition state that were able to replicate the experimental preference to form 3. We found that the 3:4 ratio results from the relative amounts of very fast (ballistic) exotype trajectories versus trajectories that lead to the 1,3-diradical intermediate 2. These quasiclassical trajectories provided a set of transition-state vibrational, velocity, momenta, and geometric features for the machine learning analysis. Additionally, a selection of popular supervised classification algorithms (e.g., random forest) provided poor prediction of trajectory outcomes based on only transition-state vibrational quanta and energy features. However, these machine learning models provided more accurate predictions using atomic velocities and atomic positions, attaining ~70% accuracy using initial conditions and between 85 and 95% accuracy at later reaction time steps. This increased accuracy allowed the feature importance analysis to reveal that, at the later-time analysis, the methylene bridge out-of-plane bending is correlated with trajectory outcomes for the formation of either the exo product or toward the diradical intermediate. Possible reasons for the struggle of machine learning algorithms to classify trajectories based on transition-state features is the heavily overlapping feature values, the finite but very large possible vibrational mode combinations, and the possibility of chaos as trajectories propagate. We examined this chaos by comparing a set of nearly identical trajectories that differed by only a very small scaling of the kinetic energies resulting from the transition-state reaction coordinate.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Development and validation of a supervised machine learning radar Doppler spectra peak-finding algorithm

In many types of clouds, multiple hydrometeor populations can be present at the same time and height. Studying the evolution of these different hydrometeors in a time–height perspective can give valuable information on cloud particle composition and microphysical growth processes. However, as a prerequisite, the number of different hydrometeor types in a certain cloud volume needs to be quantified. This can be accomplished using cloud radar Doppler velocity spectra from profiling cloud radars if the different hydrometeor types have sufficiently different terminal fall velocities to produce individual Doppler spectrum peaks. Here we present a newly developed supervised machine learning radar Doppler spectra peak-finding algorithm (named PEAKO). In this approach, three adjustable parameters (spectrum smoothing span, prominence threshold, and minimum peak width at half-height) are varied to obtain the set of parameters which yields the best agreement of user-classified and machine-marked peaks. The algorithm was developed for Ka-band ARM zenith-pointing radar (KAZR) observations obtained in thick snowfall systems during the Atmospheric Radiation Measurement Program (ARM) mobile facility AMF2 deployment at Hyytiälä, Finland, during the Biogenic Aerosols – Effects on Clouds and Climate (BAECC) field campaign. The performance of PEAKO is evaluated by comparing its results to existing Doppler peak-finding algorithms. The new algorithm consistently identifies Doppler spectra peaks and outperforms other algorithms by reducing noise and increasing temporal and height consistency in detected features. In the future, the PEAKO algorithm will be adapted to other cloud radars and other types of clouds consisting of multiple hydrometeors in the same cloud volume.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Adaptive estimation of quantum observables

The accurate estimation of quantum observables is a critical task in science. With progress on the hardware, measuring a quantum system will become increasingly demanding, particularly for variational protocols that require extensive sampling. Here, we introduce a measurement scheme that adaptively modifies the estimator based on previously obtained data. Our algorithm, which we call AEQuO, continuously monitors both the estimated average and the associated error of the considered observable, and determines the next measurement step based on this information. We allow both for overlap and non-bitwise commutation relations in the subsets of Pauli operators that are simultaneously probed, thereby maximizing the amount of gathered information. AEQuO comes in two variants: a greedy bucket-filling algorithm with good performance for small problem instances, and a machine learning-based algorithm with more favorable scaling for larger instances. The measurement configuration determined by these subroutines is further post-processed in order to lower the error on the estimator. We test our protocol on chemistry Hamiltonians, for which AEQuO provides error estimates that improve on all state-of-the-art methods based on various grouping techniques or randomized measurements, thus greatly lowering the toll of measurements in current and future quantum applications.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS2015

ACCEPT: Introduction of the Adverse Condition and Critical Event Prediction Toolbox

The prediction of anomalies or adverse events is a challenging task, and there are a variety of methods which can be used to address the problem. In this paper, we introduce a generic framework developed in MATLAB (sup registered mark) called ACCEPT (Adverse Condition and Critical Event Prediction Toolbox). ACCEPT is an architectural framework designed to compare and contrast the performance of a variety of machine learning and early warning algorithms, and tests the capability of these algorithms to robustly predict the onset of adverse events in any time-series data generating systems or processes.

machine learning↗
NASA NTRS2002

Machine Learning for Biological Trajectory Classification Applications

Machine-learning techniques, including clustering algorithms, support vector machines and hidden Markov models, are applied to the task of classifying trajectories of moving keratocyte cells. The different algorithms axe compared to each other as well as to expert and non-expert test persons, using concepts from signal-detection theory. The algorithms performed very well as compared to humans, suggesting a robust tool for trajectory classification in biological applications.

Sbalzarini, Ivo F.↗
DOE OSTI2022

Objective Phenotyping of Root System Architecture Using Image Augmentation and Machine Learning in Alfalfa (Medicago sativa L.)

Active breeding programs specifically for root system architecture (RSA) phenotypes remain rare; however, breeding for branch and taproot types in the perennial crop alfalfa is ongoing. Phenotyping in this and other crops for active RSA breeding has mostly used visual scoring of specific traits or subjective classification into different root types. While image-based methods have been developed, translation to applied breeding is limited. This research is aimed at developing and comparing image-based RSA phenotyping methods using machine and deep learning algorithms for objective classification of 617 root images from mature alfalfa plants collected from the field to support the ongoing breeding efforts. Our results show that unsupervised machine learning tends to incorrectly classify roots into a normal distribution with most lines predicted as the intermediate root type. Encouragingly, random forest and TensorFlow-based neural networks can classify the root types into branch-type, taproot-type, and an intermediate taproot-branch type with 86% accuracy. With image augmentation, the prediction accuracy was improved to 97%. Coupling the predicted root type with its prediction probability will give breeders a confidence level for better decisions to advance the best and exclude the worst lines from their breeding program. This machine and deep learning approach enables accurate classification of the RSA phenotypes for genomic breeding of climate-resilient alfalfa.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2018

Optimization Methods for Large-Scale Machine Learning

Here this paper provides a review and commentary on the past, present, and future of numerical optimization algorithms in the context of machine learning applications. Through case studies on text classification and the training of deep neural networks, we discuss how optimization problems arise in machine learning and what makes them challenging. A major theme of our study is that large-scale machine learning represents a distinctive setting in which the stochastic gradient (SG) method has traditionally played a central role while conventional gradient-based nonlinear optimization techniques typically falter. Based on this viewpoint, we present a comprehensive theory of a straightforward, yet versatile SG algorithm, discuss its practical behavior, and highlight opportunities for designing algorithms with improved performance. This leads to a discussion about the next generation of optimization methods for large-scale machine learning, including an investigation of two main streams of research on techniques that diminish noise in the stochastic directions and methods that make use of second-order derivative approximations.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Anomaly Detection and Mitigation for Wide-Area Damping Control using Machine Learning

In an interconnected multi-area power system, wide-area measurement based damping controllers are used to damp out inter-area oscillations, which jeopardize grid stability and constrain the power flows below to their transmission capacity. The effect of wide-area damping control (WADC) significantly depends on both power and cyber systems. At the cyber system layer, an adversary can inflict the WADC process by compromising either measurement signals, control signals or both. Stealthy and coordinated cyber-attacks may bypass the conventional cybersecurity measures to disrupt the seamless operation of WADC. This paper proposes an anomaly detection (AD) algorithm using supervised Machine Learning and a model-based logic for mitigation. The proposed AD algorithm considers measurement signals (input of WADC) and control signals (output of WADC) as input to evaluate the type of activity such as normal, perturbation (small or large signal faults), attack and perturbation-and-attack. Upon anomaly detection, the mitigation module tunes the WADC signal and sets the control status mode as either wide-area mode or local mode. The proposed anomaly detection and mitigation (ADM) module works inline with the WADC at the control center for attack detection on both measurement and control signals and eliminates the need for ADMs at the geographically distributed actuators. Here, we consider coordinated and primitive data-integrity attack vectors such as pulse, ramp, relay-trip and replay attacks. The performance of the proposed ADM algorithms was evaluated under these attack vector scenarios on a testbed environment for 2-area 4-machine power system. The ADM module shows effective performance with 96:5% accuracy to detect anomalies.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2024

Performance of the CMS high-level trigger during LHC Run 2

The CERN LHC provided proton and heavy ion collisions during its Run 2 operation period from 2015 to 2018. Proton-proton collisions reached a peak instantaneous luminosity of 2.1× 10 34 cm -2 s -1 , twice the initial design value, at √(s)=13 TeV. The CMS experiment records a subset of the collisions for further processing as part of its online selection of data for physics analyses, using a two-level trigger system: the Level-1 trigger, implemented in custom-designed electronics, and the high-level trigger, a streamlined version of the offline reconstruction software running on a large computer farm. This paper presents the performance of the CMS high-level trigger system during LHC Run 2 for physics objects, such as leptons, jets, and missing transverse momentum, which meet the broad needs of the CMS physics program and the challenge of the evolving LHC and detector conditions. Sophisticated algorithms that were originally used in offline reconstruction were deployed online. Highlights include a machine-learning b tagging algorithm and a reconstruction algorithm for tau leptons that decay hadronically.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2024

Performance of the CMS high-level trigger during LHC Run 2

The CERN LHC provided proton and heavy ion collisions during its Run 2 operation period from 2015 to 2018. Proton-proton collisions reached a peak instantaneous luminosity of 2.1 $\times$ 10$^{34}$ cm$^{-2}$s$^{-1}$, twice the initial design value, at $\sqrt{s}$ = 13 TeV. The CMS experiment records a subset of the collisions for further processing as part of its online selection of data for physics analyses, using a two-level trigger system: the Level-1 trigger, implemented in custom-designed electronics, and the high-level trigger, a streamlined version of the offline reconstruction software running on a large computer farm. This paper presents the performance of the CMS high-level trigger system during LHC Run 2 for physics objects, such as leptons, jets, and missing transverse momentum, which meet the broad needs of the CMS physics program and the challenge of the evolving LHC and detector conditions. Sophisticated algorithms that were originally used in offline reconstruction were deployed online. Highlights include a machine-learning b tagging algorithm and a reconstruction algorithm for tau leptons that decay hadronically.

high energy physics↗
DOE OSTI2021

Assessing Cognitive Impacts of Errors from Machine Learning and Deep Learning Models: Final Report

Due to their recent increases in performance, machine learning and deep learning models are being increasingly adopted across many domains for visual processing tasks. One such domain is international nuclear safeguards, which seeks to verify the peaceful use of commercial nuclear energy across the globe. Despite recent impressive performance results from machine learning and deep learning algorithms, there is always at least some small level of error. Given the significant consequences of international nuclear safeguards conclusions, we sought to characterize how incorrect responses from a machine or deep learning-assisted visual search task would cognitively impact users. We found that not only do some types of model errors have larger negative impacts on human performance than other errors, the scale of those impacts change depending on the accuracy of the model with which they are presented and they persist in scenarios of evenly distributed errors and single-error presentations. Further, we found that experiments conducted using a common visual search dataset from the psychology community has similar implications to a safeguards- relevant dataset of images containing hyperboloid cooling towers when the cooling tower images are presented to expert participants. While novice performance was considerably different (and worse) on the cooling tower task, we saw increased novice reliance on the most challenging cooling tower images compared to experts. These findings are relevant not just to the cognitive science community, but also for developers of machine and deep learning that will be implemented in multiple domains. For safeguards, this research provides key insights into how machine and deep learning projects should be implemented considering their special requirements that information not be missed.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Quantum machine learning with differential privacy

Abstract Quantum machine learning (QML) can complement the growing trend of using learned models for a myriad of classification tasks, from image recognition to natural speech processing. There exists the potential for a quantum advantage due to the intractability of quantum operations on a classical computer. Many datasets used in machine learning are crowd sourced or contain some private information, but to the best of our knowledge, no current QML models are equipped with privacy-preserving features. This raises concerns as it is paramount that models do not expose sensitive information. Thus, privacy-preserving algorithms need to be implemented with QML. One solution is to make the machine learning algorithm differentially private, meaning the effect of a single data point on the training dataset is minimized. Differentially private machine learning models have been investigated, but differential privacy has not been thoroughly studied in the context of QML. In this study, we develop a hybrid quantum-classical model that is trained to preserve privacy using differentially private optimization algorithm. This marks the first proof-of-principle demonstration of privacy-preserving QML. The experiments demonstrate that differentially private QML can protect user-sensitive information without signficiantly diminishing model accuracy. Although the quantum model is simulated and tested on a classical computer, it demonstrates potential to be efficiently implemented on near-term quantum devices [noisy intermediate-scale quantum (NISQ)]. The approach’s success is illustrated via the classification of spatially classed two-dimensional datasets and a binary MNIST classification. This implementation of privacy-preserving QML will ensure confidentiality and accurate learning on NISQ technology.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Evaluating multistation phase picking algorithm phase neural operator (PhaseNO) on local seismic networks

Reliable automatic phase picking is important for many seismic applications. With the development of machine learning approaches, many algorithms are proposed, evaluated and applied to different areas. Many of these algorithms are single station based, while recent proposed methods start to combine surrounding stations into consideration in the problem of phase picking. Among these algorithms, the phase neural operator (PhaseNO) shows promising results on regional data sets comparing to existing algorithms. But there are many use cases for the local seismic networks in our community, therefore in this paper we evaluate the performance of PhaseNO on four different local data sets and compare the results to PhaseNet and EQTransformer. We used both individual phase picking metrics as well as association metrics to illustrate the performance of PhaseNO. By manually reviewing the newly detected events, we find that the PhaseNO model outperforms the single station-based approaches in the local-scale use cases due to its consideration of coherent signals from multiple stations. We also explored PhaseNO’s behaviours when only using one station, as well as gradually increasing the number of stations in the seismic network to better understand its behaviour. Overall, using the off-the-shelf machine learning based phase pickers, PhaseNO demonstrated its good performance on local-scale seismic networks.

58 GEOSCIENCES↗
DOE OSTI2018

CANDLE/Supervisor: a workflow framework for machine learning applied to cancer research

BackgroundCurrent multi-petaflop supercomputers are powerful systems, but present challenges when faced with problems requiring large machine learning workflows. Complex algorithms running at system scale, often with different patterns that require disparate software packages and complex data flows cause difficulties in assembling and managing large experiments on these machines.ResultsThis paper presents a workflow system that makes progress on scaling machine learning ensembles, specifically in this first release, ensembles of deep neural networks that address problems in cancer research across the atomistic, molecular and population scales. The initial release of the application framework that we call CANDLE/Supervisor addresses the problem of hyper-parameter exploration of deep neural networks.ConclusionsInitial results demonstrating CANDLE on DOE systems at ORNL, ANL and NERSC (Titan, Theta and Cori, respectively) demonstrate both scaling and multi-platform execution.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2019

Investigating Machine Learning Based X-Ray Computed Tomography Reconstruction Methods to Enhance the Accuracy of CT Scans

Development of new materials and predictive capabilities of component performance hinges on the ability to accurately digitize "as-built" geometries. X-ray computed tomography (CT) offers a non-destructive method of capturing these details but current methodologies are unable to produce the required fidelity for critical component certification. This project focused on discovering the limitations of existing CT reconstruction algorithms and exploring machine learning (ML) methodologies to overcome these limitations. We found that existing CT reconstruction methods are insufficient for Sandia's critical component certification process and that ML algorithms are a viable path forward to improving the quality of CT images.

47 OTHER INSTRUMENTATION↗
DOE OSTI2018

Using Deep Machine Learning to Conduct Object-Based Identification and Motion Detection on Safeguards Video Surveillance

Video surveillance is one of the core monitoring technologies used by the International Atomic Energy Agency (IAEA) Department of Safeguards at safeguarded nuclear facilities worldwide. Current IAEA image-review software has functions for scene-change detection, black image detection and missing scene analysis, but their capabilities are not optimum. The current workflow for the detection of safeguards relevant events heavily depends on inspectors’ laborious visual examination of surveillance videos, which is a time-consuming process and prone to errors. To improve the accuracy of the process and reduce inspectors’ burden, the paper proposes using deep machine learning to detect objects of interest in video streams and to conduct object-based motion detection. The hypothesis of this work is that deep machine learning will reduce the burden on inspectors and reduce errors by automatically locating and identifying objects of interest in video streams. Objects of interest include casks and fuel assemblies that are typically monitored by inspectors. The algorithm being developed in this work is based on a computationally efficient deep machine learning algorithm – You Only Look Once (YOLO) – but is further devised to address specific challenges related to the operation of nuclear facilities. The developed model (which is called YOLO-NSG – YOLO for Nuclear Safeguards) is evaluated with data sets collected at the test facilities at Brookhaven National Laboratory (BNL) and Sandia National Laboratories (SNL). The initial focus of the research is for application at safeguarded nuclear reactors, such as pressurized heavy-water reactors, where video surveillance is broadly deployed, but can be extended to other use cases of nuclear safeguards. The detailed structure of YOLO-NSG model is introduced and the test results are reported in the paper.

36 MATERIALS SCIENCE↗