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At least 1,765 records · Page 98

Reducing measurement costs by recycling the Hessian in adaptive variational quantum algorithms

Abstract Adaptive protocols enable the construction of more efficient state preparation circuits in variational quantum algorithms (VQAs) by utilizing data obtained from the quantum processor during the execution of the algorithm. This idea originated with Adaptive Derivative-Assembled Problem-Tailored variational quantum eigensolver (ADAPT-VQE), an algorithm that iteratively grows the state preparation circuit operator by operator, with each new operator accompanied by a new variational parameter, and where all parameters acquired thus far are optimized in each iteration. In ADAPT-VQE and other adaptive VQAs that followed it, it has been shown that initializing parameters to their optimal values from the previous iteration speeds up convergence and avoids shallow local traps in the parameter landscape. However, no other data from the optimization performed at one iteration is carried over to the next. In this work, we propose an improved quasi-Newton optimization protocol specifically tailored to adaptive VQAs. The distinctive feature in our proposal is that approximate second derivatives of the cost function are recycled across iterations in addition to optimal parameter values. We implement a quasi-Newton optimizer where an approximation to the inverse Hessian matrix is continuously built and grown across the iterations of an adaptive VQA. The resulting algorithm has the flavor of a continuous optimization where the dimension of the search space is augmented when the gradient norm falls below a given threshold. We show that this inter-optimization exchange of second-order information leads the approximate Hessian in the state of the optimizer to be consistently closer to the exact Hessian. As a result, our method achieves a superlinear convergence rate even in situations where the typical implementation of a quasi-Newton optimizer converges only linearly. Our protocol decreases the measurement costs in implementing adaptive VQAs on quantum hardware as well as the runtime of their classical simulation.

Ramôa, Mafalda (ORCID:0000000302187801)↗

Graph convolutional networks applied to unstructured flow field data

Abstract Many scientific and engineering processes produce spatially unstructured data. However, most data-driven models require a feature matrix that enforces both a set number and order of features for each sample. They thus cannot be easily constructed for an unstructured dataset. Therefore, a graph based data-driven model to perform inference on fields defined on an unstructured mesh, using a graph convolutional neural network (GCNN) is presented. The ability of the method to predict global properties from spatially irregular measurements with high accuracy is demonstrated by predicting the drag force associated with laminar flow around airfoils from scattered velocity measurements. The network can infer from field samples at different resolutions, and is invariant to the order in which the measurements within each sample are presented. The GCNN method, using inductive convolutional layers and adaptive pooling, is able to predict this quantity with a validation R 2 above 0.98, and a Normalized Mean Squared Error below 0.01, without relying on spatial structure.

Ogoke, Francis (ORCID:0000000224327783)↗

Predictive Models of Genetic Redundancy in Arabidopsis thaliana

Abstract Genetic redundancy refers to a situation where an individual with a loss-of-function mutation in one gene (single mutant) does not show an apparent phenotype until one or more paralogs are also knocked out (double/higher-order mutant). Previous studies have identified some characteristics common among redundant gene pairs, but a predictive model of genetic redundancy incorporating a wide variety of features derived from accumulating omics and mutant phenotype data is yet to be established. In addition, the relative importance of these features for genetic redundancy remains largely unclear. Here, we establish machine learning models for predicting whether a gene pair is likely redundant or not in the model plant Arabidopsis thaliana based on six feature categories: functional annotations, evolutionary conservation including duplication patterns and mechanisms, epigenetic marks, protein properties including posttranslational modifications, gene expression, and gene network properties. The definition of redundancy, data transformations, feature subsets, and machine learning algorithms used significantly affected model performance based on holdout, testing phenotype data. Among the most important features in predicting gene pairs as redundant were having a paralog(s) from recent duplication events, annotation as a transcription factor, downregulation during stress conditions, and having similar expression patterns under stress conditions. We also explored the potential reasons underlying mispredictions and limitations of our studies. This genetic redundancy model sheds light on characteristics that may contribute to long-term maintenance of paralogs, and will ultimately allow for more targeted generation of functionally informative double mutants, advancing functional genomic studies.

59 BASIC BIOLOGICAL SCIENCES↗

Efficient lattice QCD computation of radiative-leptonic-decay form factors at multiple positive and negative photon virtualities

In previous work [D. Giusti, Methods for high-precision determinations of radiative-leptonic decay form factors using lattice QCD, Phys. Rev. D 107, 074507 (2023)], we showed that form factors for radiative leptonic decays of pseudoscalar mesons can be determined efficiently and with high precision from lattice QCD using the “three-dimensional (3D) method,” in which three-point functions are computed for all values of the current insertion time and the time integral is performed at the data-analysis stage. Here, we demonstrate another benefit of the 3D method: the form factors can be extracted for any number of nonzero photon virtualities from the same three-point functions at no extra cost. We present results for the $D_s → ℓνγ*$ vector form factor as a function of photon energy and photon virtuality, for both positive and negative virtuality, for a single ensemble with 340 MeV pion mass and 0.11 fm lattice spacing. In our analysis, we separately consider the two different time orderings and the different quark flavors in the electromagnetic current. We discuss in detail the behavior of the unwanted exponentials contributing to the three-point functions, as well as the choice of fit models and fit ranges used to remove them for various values of the virtuality. While positive photon virtuality is relevant for decays to multiple charged leptons, negative photon virtuality suppresses soft contributions and is of interest in QCD-factorization studies of the form factors.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

New collective structures in Au 179 and their implications for the triaxial deformation of the Pt 178 core

The extremely neutron-deficient isotope 179 Au has been studied by a combination of in-beam γ-ray and isomeric-decay spectroscopy. For in-beam spectroscopy, the recoil-isomer tagging technique was employed, using the known 3/2 – , T 1/2 = 328 ns isomer. A new rotational band, associated with the unfavored signature band of the 1⁢ℎ 9/2 ⊕2f⁢ 7/2 proton-intruder configuration, was revealed. A previously unknown, high-spin isomeric state with an excitation energy of 1743(17) keV and T 1/2 = 2.16⁢(8) ⁢µs was discovered. Five decay paths were identified, some of them feeding previously unknown non-yrast excited states, associated with the 1⁢i 13/2 proton-intruder configuration. Calculations based on the particle-plus-triaxial-rotor model were performed to interpret the data. On the basis of these calculations, the new 1⁢ℎ 9/2 ⊕2f 7/2 rotational band is interpreted as due to triaxial deformation of the underlying configuration with β 2 ≈ 0.26 and γ ≈ 27°. In conclusion, observed non-yrast states of the positive-parity 1i 13/2 intruder configuration are interpreted as due to triaxial deformation with β 2 ≈ 0.26 and γ ≈ 20°.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Atacama Cosmology Telescope: Component-separated maps of CMB temperature and the thermal Sunyaev-Zel’dovich effect

Optimal analyses of many signals in the cosmic microwave background (CMB) require map-level extraction of individual components in the microwave sky, rather than measurements at the power spectrum level alone. To date, nearly all map-level component separation in CMB analyses has been performed exclusively using satellite data. In this paper, we implement a component separation method based on the internal linear combination (ILC) approach which we have designed to optimally account for the anisotropic noise (in the 2D Fourier domain) often found in ground-based CMB experiments. Using this method, we combine multi-frequency data from the Planck satellite and the Atacama Cosmology Telescope Polarimeter (ACTPol) to construct the first wide-area, arcminute-resolution component-separated maps (≈ 2100 sq. deg.) of the CMB temperature anisotropy and the thermal Sunyaev-Zel'dovich (tSZ) effect sourced by the inverse-Compton scattering of CMB photons off hot, ionized gas. Our ILC pipeline allows for explicit deprojection of various contaminating signals, including a modified blackbody approximation of the cosmic infrared background (CIB) spectral energy distribution. The cleaned CMB maps will be a useful resource for CMB lensing reconstruction, kinematic SZ cross-correlations, and primordial non-Gaussianity studies. Here, the tSZ maps will be used to study the pressure profiles of galaxies, groups, and clusters through cross-correlations with halo catalogs, with dust contamination controlled via CIB deprojection. The data products described in this paper are available on LAMBDA.

79 ASTRONOMY AND ASTROPHYSICS↗

Measurement of the Λ hyperon lifetime

A new, more precise measurement of the Λ hyperon lifetime is performed using a large data sample of Pb-Pb collisions at $\sqrt{s_{NN}}$=5.02 TeV with ALICE. The Λ and $\bar{Λ}$ hyperons are reconstructed at midrapidity using their two-body weak decay channel Λ→p+π - and $\bar{Λ}$→$\bar{p}$+π + . The measured value of the Λ lifetime is τ Λ =[261.07±0.37(stat.)±0.72(syst.)] ps. The relative difference between the lifetime of Λ and $\bar{Λ}$, which represents an important test of CPT invariance in the strangeness sector, is also measured. The obtained value (τ Λ -τ $\bar{Λ}$ )/τ Λ =0.0013±0.0028(stat.)±0.0021(syst.) is consistent with zero within the uncertainties. Both measurements of the Λ hyperon lifetime and of the relative difference between τ Λ and τ $\bar{Λ}$ are in agreement with the corresponding world averages of the Particle Data Group and about a factor of three more precise.

43 PARTICLE ACCELERATORS↗

Radio measurements of the depth of air-shower maximum at the Pierre Auger Observatory

The (AERA), part of the Pierre Auger Observatory, is currently the largest array of radio antenna stations deployed for the detection of cosmic rays, spanning an area of 17 km 2 with 153 radio stations. It detects the radio emission of extensive air showers produced by cosmic rays in the 30–80 MHz band. Here, we report the AERA measurements of the ( X max ), a probe for mass composition, at cosmic-ray energies between 10 17.5 and 10 18.8 eV , which show agreement with earlier measurements with the fluorescence technique at the Pierre Auger Observatory. We show advancements in the method for radio X max reconstruction by comparison to dedicated sets of / air-shower simulations, including steps of reconstruction-bias identification and correction, which is of particular importance for irregular or sparse radio arrays. Using the largest set of radio air-shower measurements to date, we show the radio X max resolution as a function of energy, reaching a resolution better than 15 g cm − 2 at the highest energies, demonstrating that radio X max measurements are competitive with the established high-precision fluorescence technique. In addition, we developed a procedure for performing an extensive data-driven study of systematic uncertainties, including the effects of acceptance bias, reconstruction bias, and the investigation of possible residual biases. These results have been cross-checked with air showers measured independently with both the radio and fluorescence techniques, a setup unique to the Pierre Auger Observatory. Published by the American Physical Society 2024

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Cross section measurement of e + e − → η ψ ( 2 S ) and search for e + e − → η X ˜ ( 3872 )

The energy-dependent cross section for e + e − → η ψ ( 2 S ) is measured at 18 center of mass energies from 4.288 to 4.951 GeV using the BESIII detector. Using the same data samples, we also perform the first search for the reaction e + e − → η X ˜ ( 3872 ) , but no evidence is found for the X ˜ ( 3872 ) in the π + π − J / ψ mass distribution. At each of the 18 center of mass energies, upper limits at the 90% confidence level on the cross section for e + e − → η ψ ( 2 S ) and on the product of the e + e − → η X ˜ ( 3872 ) cross section with the branching fraction of X ˜ ( 3872 ) → π + π − J / ψ are reported. Published by the American Physical Society 2024

Astronomy & Astrophysics↗

Final Search for Short-Baseline Neutrino Oscillations with the PROSPECT-I Detector at HFIR

The PROSPECT experiment is designed to perform precise searches for antineutrino disappearance at short distances (7–9 m) from compact nuclear reactor cores. This Letter reports results from a new neutrino oscillation analysis performed using the complete data sample from the PROSPECT-I detector operated at the High Flux Isotope Reactor in 2018. The analysis uses a multiperiod selection of inverse beta decay neutrino interactions with reduced backgrounds and enhanced statistical power to set limits on electron neutrino disappearance caused by mixing with sterile neutrinos with 0.2–20 eV 2 mass splittings. Inverse beta decay positron energy spectra from six different reactor-detector distance ranges are found to be statistically consistent with one another, as would be expected in the absence of sterile neutrino oscillations. The data excludes at 95% confidence level the existence of sterile neutrinos in regions above 3 eV 2 previously unexplored by terrestrial experiments, including all space below 10 eV 2 suggested by the recently strengthened Gallium Anomaly. The best-fit point of the Neutrino-4 reactor experiment’s claimed observation of short-baseline oscillation is ruled out at more than 5 standard deviations.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

diffpy.mpdf : open-source software for magnetic pair distribution function analysis

The open-source Python package diffpy.mpdf , part of the DiffPy suite for diffraction and pair distribution function analysis, provides a user-friendly approach for performing magnetic pair distribution function (mPDF) analysis. The package builds on existing libraries in the DiffPy suite to allow users to create models of magnetic structures and calculate corresponding one- and three-dimensional mPDF patterns. diffpy.mpdf can be used to perform fits to mPDF data either in isolation or in combination with atomic pair distribution function data for joint refinement of the atomic and magnetic structure. Examples are given using MnO and MnTe as representative antiferromagnetic compounds and MnSb as a representative ferromagnet.

36 MATERIALS SCIENCE↗

Feasibility of Correlation-Aware Inference and Universal Precision Scaling in Bonse–Hart Ultra-Small-Angle Neutron Scattering

Bonse–Hart ultra-small-angle neutron scattering (USANS) provides access to micrometre-scale structure, but useful measurements often require long counting times. In this work, we test whether the expected smoothness of the scattering profile can be exploited to improve data quality at lower counting statistics. We apply a Gaussian-process-based method to Bonse–Hart USANS data and evaluate its performance on pseudo-measurements generated from high-statistics experiments under Poisson statistics. This provides a stringent test of how well the underlying I(Q) profile can be reconstructed when the available counts are substantially reduced. We further show that, in the counting-limited regime, the reconstruction error follows a universal scaling behaviour that differs from the usual independent-counting expectation. At higher counts, the improvement crosses over to a resolution-limited regime set by analyser-angle discretization and rocking-curve width. These results clarify when correlation-aware inference is useful in USANS and provide a practical basis for improving measurement efficiency and beam-time usage.

Tung, Chi-Huan [ORNL] (ORCID:0000000221972074)↗

Deep Reinforcement Learning for Residential HVAC Control with Consideration of Human Occupancy

The Artificial Intelligence (AI) development described herein uses model-free Deep Reinforcement Learning (DRL) to minimize energy cost during residential heating, ventilation, and air conditioning (HVAC) operation. Building cooling loads and HVAC operation are difficult to accurately model due to complexity, lack of measurements and data, and model specific performance, so online machine learning is used to allow for real-time readjustment in performance. Energy costs for the multi-zone cooling unit shown in this work are minimized by scheduling on/off commands around dynamic prices. By taking advantage of precooling events that take place when the price is low, the agent is able to reduce operational cost without violating user comfort. The DRL controller was tested in simulation where the learner achieved a 43.89% cost reduction when compared to traditional, fixed-setpoint operation. The system is now ready for the next phase of testing in a live, real-time home environment.

Mckee, Evan↗

Explainable AI for a No-Teardown Vehicle Component Cost Estimation: A Top-Down Approach

The broader ambition of this article is to popularize an approach for the fair distribution of the quantity of a system's output to its subsystems while allowing for underlying complex subsystem level interactions. Particularly, we present the use of this framework on a very specific (but generalizable) application, interesting for a more general AI audience. Here, we detail a data-driven approach to vehicle price modeling and its component price estimation by leveraging a combination of concepts from machine learning and game theory. We show an alternative to common teardown methodologies and surveying approaches for component and vehicle price estimation at the manufacturer's suggested retail price (MSRP) level that has the advantage of bypassing uncertainties involved in gathering teardown data, the need to perform expensive and biased surveying, and the need to perform retail price equivalent or indirect cost multiplier adjustments to mark up direct manufacturing costs to MSRP. This novel exercise not only provides accurate pricing of the technologies at the customer level, but also shows the, a priori known, large gaps in pricing strategies between manufacturers, vehicle classes, market segments, etc. There is also clear interaction between the price of technologies and other specifications present in vehicles. Those results are indication that old methods of manufacturer-level component costing, aggregation, and application of flat and rigid adjustment factors should be carefully examined. The findings are based on a database developed by Argonne, which includes over 64,000 vehicles covering MY1990 to MY2020 with hundreds of vehicle specs.

97 MATHEMATICS AND COMPUTING↗

A Large Language Model for Determining Partial Tripping of Distributed Energy Resources

Knowing the status of individual distributed energy resources, i.e., being tripped or not, after a contingency can inform the development of an aggregated DER model. Here, this letter presents a large language model application to determine the partial tripping of distributed energy resources depending on the types, locations, and duration of faults in the transmission network. The large language model, or more specifically BERT-based approach can streamline the fault information into tokenized input, which not only reduces the complexity of the machine learning model but also demonstrates a robust performance with only limited data sets.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Proposed Material Properties, Allowable Stresses, and Design Curves of Diffusion Bonded Alloy 800H for the ASME Code Section III Division 5

Abstract Increased interest in compact heat exchangers (CHXs) to serve as intermediate heat exchangers of very high temperature reactors resulted in significant research and development on their design, analysis, and construction. Printed circuit heat exchangers are a type of CHXs with high thermal efficiency and compactness achieved through diffusion bonding a stack of etched plates with millimeter scaled channels. The diffusion bonding process changes the microstructural and mechanical properties of the wrought metal plates. The current nonnuclear design code ASME section VIII, division 1 captures the material property change through a “joint efficiency factor.” However, the current nuclear design code ASME section III, division 5 does not address or support the diffusion bonded material properties. Hence, there is a need to develop allowable stresses, isochronous curves, and fatigue life curves for various diffusion bonded alloys. In this study, Alloy 800H material was selected to establish the diffusion bonded material properties under tension, creep, fatigue, and creep-fatigue loads at elevated temperatures in the range 550–760 °C. A set of tests on diffusion bonded Alloy 800H (DB 800H) were performed and the acquired data are used in developing allowable stresses Sy, Su, Sr, Sm, St, Smt, So, isochronous curves and fatigue life curves according to the ASME section III, division 5 requirements. This paper also presents detailed procedures used in developing the ASME code section III division 5 design provisions for diffusion bonded Alloy 800H.

Engineering↗

Optimization of X-ray event screening using ground and in-orbit data for the Resolve instrument onboard the XRISM satellite

The X-Ray Imaging and Spectroscopy Mission (XRISM) satellite was successfully launched and put into a low-Earth orbit on September 6, 2023 (UT). The Resolve instrument onboard XRISM hosts an X-ray microcalorimeter detector, which was designed to achieve a high-resolution ( ≤ 7 eV FWHM at 6 keV), high-throughput, and non-dispersive spectroscopy over a wide energy range. It also excels in a low background with a requirement of < 2 × 10 -3 s -1 keV -1 (0.3 to 12.0 keV), which is equivalent to only one background event per spectral bin per 100-ks exposure. Event screening to discriminate X-ray events from background is a key to meeting the requirement. We present the result of the Resolve event screening using data sets recorded on the ground and in orbit based on the heritage of the preceding X-ray microcalorimeter missions, in particular, the Soft X-ray Spectrometer onboard ASTRO-H. We optimize and evaluate 19 screening items of three types based on (1) the event pulse shape, (2) relative arrival times among multiple events, and (3) good time intervals. We show that the initial screening, which is applied for science data products in the performance verification phase, reduces the background rate to 1.8 × 10 -3 s -1 keV -1 meeting the requirement. We further evaluate the additional screening utilizing the correlation among some pulse shape properties of X-ray events and show that it further reduces the background rate, particularly in the < 2 keV band. Over 0.3 to 12 keV, the background rate becomes 1.0 × 10 -3 s -1 keV -1 .

47 OTHER INSTRUMENTATION↗