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At least 1,297 records · Page 72
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

When in-memory computing meets spiking neural networks—A perspective on device-circuit-system-and-algorithm co-design

This review explores the intersection of bio-plausible artificial intelligence in the form of spiking neural networks (SNNs) with the analog in-memory computing (IMC) domain, highlighting their collective potential for low-power edge computing environments. Through detailed investigation at the device, circuit, and system levels, we highlight the pivotal synergies between SNNs and IMC architectures. Additionally, we emphasize the critical need for comprehensive system-level analyses, considering the inter-dependencies among algorithms, devices, circuit, and system parameters, crucial for optimal performance. An in-depth analysis leads to the identification of key system-level bottlenecks arising from device limitations, which can be addressed using SNN-specific algorithm–hardware co-design techniques. This review underscores the imperative for holistic device to system design-space co-exploration, highlighting the critical aspects of hardware and algorithm research endeavors for low-power neuromorphic solutions.

Physics↗
DOE OSTI2026

Asymptotic inconsistency of the cumulative algorithm for laser-induced damage probability analysis

The “cumulative algorithm” is a data analysis method that has been proposed to provide an objective, nonparametric determination of laser-induced damage probability as a function of fluence from experimental data that contain both damaged sites and undamaged sites (i.e., 1-on-1 or S-on-1 testing protocols). In this work, the limitations of this approach are explored by considering the asymptotic limit of a large number of test sites. It is shown that the cumulative algorithm does not converge to the true probability distribution and significantly underestimates the damage probability near the damage onset. Here, based on the results of this work, the cumulative algorithm is not recommended for accurate estimation of damage probability.

Computational methods↗
DOE OSTI2020

Wave function analysis with a maximum flow algorithm

An efficient algorithm for computing the maximum-flow path in a network is applied to the identification of the dominant configuration state functions (CSFs) in a graphically contracted function (GCF), configuration interaction, wave function. The flow network is a space of spin-adapted CSFs represented by a Shavitt graph, wherein the nodes correspond to orbital occupations and spin quantum numbers. The graph nodes are connected by arcs, and an arc density is defined as sums of the associated squared CSF coefficients. A max-min approach determines an upper bound to the maximum possible incoming flow for each graph node. A backtracking step generates a candidate walk and is followed by a limited search of alternative branching paths for the dominant CSF. The arc density contributions are removed from the graph, and the algorithm is reapplied to the updated graph. This list of generated walks can be partitioned in order to guarantee that the dominant CSFs have been identified. All of the steps in this algorithm are computationally efficient and do not depend on the potentially large dimension of the underlying linear CSF expansion space. An analysis of low-lying valence states of C-2 illustrates the method.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2021

Quantum Algorithm for Approximating Maximum Independent Sets

We present a quantum algorithm for approximating maximum independent sets of a graph based on quantum non-Abelian adiabatic mixing in the sub-Hilbert space of degenerate ground states, which generates quantum annealing in a secondary Hamiltonian. For both sparse and dense random graphs G , numerical simulation suggests that our algorithm on average finds an independent set of size close to the maximum size α ( G ) in low polynomial time. The best classical algorithms, by contrast, produce independent sets of size about half of α ( G ) in polynomial time.

Physics↗
DOE OSTI2026

Extensive analysis of reconstruction algorithms for DESI 2024 baryon acoustic oscillations

Reconstruction of the baryon acoustic oscillation (BAO) signal has been a standard procedure in BAO analyses over the past decade and has helped to improve the BAO parameter precision by a factor of ∼2 on average. The Dark Energy Spectroscopic Instrument (DESI) BAO analysis for the first year (DR1) data uses the “standard” reconstruction framework, in which the displacement field is estimated from the observed density field by solving the linearized continuity equation in redshift space, and galaxy and random positions are shifted in order to partially remove non-linearities. There are several approaches to solving for the displacement field in real survey data, including the multigrid (MG), iterative Fast Fourier Transform (iFFT), and iterative Fast Fourier Transform particle (iFFTP) algorithms. In this work, we analyze these algorithms and compare them with various metrics including two-point statistics and the displacement itself using realistic DESI mocks. We focus on three representative DESI samples, the emission line galaxies (ELG), quasars (QSO), and the bright galaxy sample (BGS), which cover the extreme redshifts and number densities, and potential wide-angle effects. We conclude that the MG and iFFT algorithms agree within 0.4% in post-reconstruction power spectrum on BAO scales with the RecSym convention, which does not remove large-scale redshift space distortions (RSDs), in all three tracers. The RecSym convention appears to be less sensitive to displacement errors than the RecIso convention, which attempts to remove large-scale RSDs. However, iFFTP deviates from the first two; thus, we recommend against using iFFTP without further development. In addition, we provide the optimal settings for reconstruction for five years of DESI observation. The analyses presented in this work pave the way for DESI DR1 analysis as well as future BAO analyses.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Algorithmic Advancements for High-Order Self-Gravitating Hydrodynamics

Self-gravity plays a key role in the formation and evolution of many astronomical objects. Though gravity is often dominant at large scales, other forces (e.g., gas pressure gradients, radiation, and/or magnetic fields) often compete. It is therefore essential for numerical simulations to evaluate their interplay accurately and robustly. Hanawa & Mullen derived a 4th-order accurate finite volume scheme to solve the equations of self-gravitating hydrodynamics on a uniform Cartesian grid. In this work, we supply improvements to the algorithm that (1) mitigate spurious gravitational circulation and (2) greatly simplify the evaluation of the high order corrections. The proposed algorithm provides the gravitational acceleration (ρg) and the gravitational energy release (ρv · g) as source terms for the hydrodynamic equations, all while preserving conservation of linear momentum. Spurious heating and/or cooling associated with truncation error in the numerical evaluation of the gravitational energy release decreases in proportion to the fourth power of the cell width. We demonstrate fourth order convergence on smooth problems (e.g., 3D inclined sound wave propagation and 3D equilibria). An application test tracks the spherical collapse of a polytrope by an imposed, sudden decrease of the central gas pressure; a bounce and second collapse (associated with a spherical accretion shock) are robustly captured by the high order algorithm.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

Improving ICARUS track reconstruction algorithms

The ICARUS experiment is part of the Short-Baseline Neutrino program at Fermilab. Its primary objective is to explore the possible existence of sterile neutrinos in the O(1 eV) mass range and to clarify the anomalies observed in the Liquid Scintillator Neutrino Detector and MiniBooNE experiments. The ICARUS-T600 detector is a Liquid Argon Time Projection Chamber, capable of producing high-resolution 3D images and precise calorimetric measurements of ionizing particles. This technology allows for a detailed study of neutrino interactions across a broad energy range, from a few keV to several hundred GeV. The track reconstruction is achieved through a software framework that applies a series of pattern recognition algorithms, transforming raw detector signals into fully reconstructed event topologies. This process involves identifying interaction vertices, particle tracks, and electromagnetic showers within the TPC. However, in certain cases, these algorithms may mistakenly break a single particle track into several shorter segments, interpreting each as a distinct particle. Since track length is used to estimate the particle's energy, such fragmentation can result in an energy underestimation of several hundred MeV. Furthermore, when a track is split into multiple segments, the particle identification (which relies on analyzing the energy loss as a function of the residual range) may fail, potentially leading to the loss of the entire event. To mitigate this problem, we have developed a dedicated algorithm designed to identify and reconnect (“stitch”) the tracks that were erroneously divided into multiple segments.

Ricci, Alessandro Maria [Pisa U.; INFN, Pisa] (ORC↗
DOE OSTI2020

A quantum algorithm to efficiently sample from interfering binary trees

Quantum computers provide an opportunity to efficiently sample from probability distributions that include non-trivial interference effects between amplitudes. Using a simple process wherein all possible state histories can be specified by a binary tree, we construct an explicit quantum algorithm that runs in polynomial time to sample from the process once. The corresponding naive Markov Chain algorithm does not produce the correct probability distribution and an explicit classical calculation of the full distribution requires exponentially many operations. Finally, the problem can be reduced to a system of two qubits with repeated measurements, shedding light on a quantum-inspired efficient classical algorithm.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Quantum algorithm for polaritonic chemistry based on an exact ansatz

Abstract Cavity-modified chemistry uses strong light-matter interactions to modify the electronic properties of molecules in order to enable new physical phenomena such as novel reaction pathways. As cavity chemistry often involves critical regions where configurations become nearly degenerate, the ability to treat multireference problems is crucial to understanding polaritonic systems. In this Letter, we show through the use of a unitary ansatz derived from the anti-Hermitian contracted Schrödinger equation that cavity-modified systems with strong correlation, such as the deformation of rectangular H 4 coupled to a cavity mode, can be solved efficiently and accurately on a quantum device. In contrast, while our quantum algorithm can be made formally exact, classical-computing methods as well as other quantum-computing algorithms often yield answers that are both quantitatively and qualitatively incorrect. Additionally, we demonstrate the current feasibility of the algorithm on near intermediate-scale quantum hardware by computing the dissociation curve of H 2 strongly coupled to a bosonic bath.

Warren, Samuel (ORCID:0000000157134454)↗
DOE OSTI2020

Online accelerator optimization with a machine learning-based stochastic algorithm

Abstract Online optimization is critical for realizing the design performance of accelerators. Highly efficient stochastic optimization algorithms are needed for many online accelerator optimization problems in order to find the global optimum in the non-linear, coupled parameter space. In this study, we propose to use the multi-generation Gaussian process optimizer for online accelerator optimization and demonstrate that the algorithm is significantly more efficient than other stochastic algorithms that are commonly used in the accelerator community.

Zhang, Zhe (ORCID:0000000281430381)↗
DOE OSTI2021

Relocating microseismicity from downhole monitoring of the Decatur CCS site using a modified double-difference algorithm

SUMMARY The injection of CO2 at the Decatur carbon capture and storage site has generated significant microseismic activity, which occurs in distinct spatial clusters up to approximately 2.2 km from the primary injection well. Accurate and precise event locations are vital for the characterization of the microseismicity to help understand the reservoir response to the CO2 injection, whilst enabling the identification of minor faults and fractures below the resolution of conventional active seismic imaging. However, microseismic monitoring of fluid injection sites, such as Decatur, is often performed using a network of borehole sensors often from a single well. While these downhole sensors have excellent detection capabilities, their poor azimuthal coverage limits the ability to precisely determine event locations. We have developed a modified double-difference relocation algorithm suitable for both 1-D and 3-D velocity models, and which incorporates differential back azimuth observations to allow the benefits of the original double-difference algorithm to be applicable to a downhole microseismic monitoring setting. Applying the modified double-difference algorithm to the microseismicity at Decatur, we have successfully relocated 4293 events. The relocation included over 59 million observations for 757 285 event pairs, split across seven geographic regions. Despite the majority of observations being recorded in only two boreholes, with an almost identical azimuthal coverage, the results have shown to be reliable with significantly reduced residuals and low uncertainties associated with the final locations. We have analysed the residuals in terms of their association with each geographic region, data type, station and individual events, to fully appreciate their influence in the inversion and the fit of the data to the final set of event locations. For each region, the relocated seismicity has become less diffuse with improved clustering, and with newly visible linear features often orientated in a NE–SW direction. These results show the potential improvements that can be made to microseismic event locations recorded by a borehole network with a limited and variable azimuthal distribution.

58 GEOSCIENCES↗
DOE OSTI2023

The influence of physical and algorithmic factors on simulated far-field waveforms and source–time functions of underground explosions using unsupervised machine learning

SUMMARY Characterizing explosion sources and differentiating between earthquake and underground explosions using distributed seismic networks becomes non-trivial when explosions are detonated in cavities or heterogeneous ground material. Moreover, there is little understanding of how changes in subsurface physical properties affect the far-field waveforms we record and use to infer information about the source. Simulations of underground explosions and the resultant ground motions can be a powerful tool to systematically explore how different subsurface properties affect far-field waveform features, but there are added variables that arise from how we choose to model the explosions that can confound interpretation. To assess how both subsurface properties and algorithmic choices affect the seismic wavefield and the estimated source functions, we ran a series of 2-D axisymmetric non-linear numerical explosion experiments and wave propagation simulations that explore a wide array of parameters. We then inverted the synthetic far-field waveform data using a linear inversion scheme to estimate source–time functions (STFs) for each simulation case. We applied principal component analysis (PCA), an unsupervised machine learning method, to both the far-field waveforms and STFs to identify the most important factors that control variance in the waveform data and differences between cases. For the far-field waveforms, the largest variance occurs in the shallower radial receiver channels in the 0–50 Hz frequency band. For the STFs, both peak amplitude and rise times across different frequencies contribute to the variance. We find that the ground equation of state (i.e. lithology and rheology) and the explosion emplacement conditions (i.e. tamped versus cavity) have the greatest effect on the variance of the far-field waveforms and STFs, with the ground yield strength and fracture pressure being secondary factors. Differences in the PCA results between the far-field waveforms and STFs could possibly be due to near-field non-linearities of the source that are not accounted for in the estimation of STFs and could be associated with yield strength, fracture pressure, cavity radius and cavity shape parameters. Other algorithmic parameters are found to be less important and cause less variance in both the far-field waveforms and STFs, meaning algorithmic choices in how we model explosions are less important, which is encouraging for the further use of explosion simulations to study how physical Earth properties affect seismic waveform features and estimated STFs.

58 GEOSCIENCES↗
DOE OSTI2020

Validation of emission-line galaxies target selection algorithms for the Dark Energy Spectroscopic Instrument using the MMT Binospec

ABSTRACT The forthcoming Dark Energy Spectroscopic Instrument (DESI) experiment plans to measure the effects of dark energy on the expansion of the Universe and create a 3D map of the Universe using galaxies up to z ∼ 1.6 and QSOs up to z ∼ 3.5. In order to create this map, DESI will obtain spectroscopic redshifts of over 30 million objects; among them, a majority are [O ii] emitting star-forming galaxies known as emission-line galaxies (ELGs). These ELG targets will be pre-selected by drawing a selection region on the g − r versus r − z colour–colour plot, where high-redshift ELGs form a separate locus from the lower redshift ELGs and interlopers. In this paper, we study the efficiency of three ELG target selection algorithms – the Final Design Report (FDR) cut based on the DEEP2 photometry, Number Density Modelling (NDM) and Random Forest – to determine how the combination of these three algorithms can be best used to yield a simple selection boundary that will be best suited to meet DESI’s science goals. To do this, we selected 17 small patches in the DESI footprint where we run the three target selection algorithms to pre-select ELGs based on their photometry. We observed the pre-selected ELGs using the MMT Binospec, which is similar in functionality to the DESI instrument, to obtain their spectroscopic redshifts and fluxes of 1054 ELGs. By analysing the redshift and fluxing distribution of these galaxies, we find that although NDM performed the best, simple changes in the FDR definition would also yield sufficient performance.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

AlgoSCR: an algorithm for solar contamination removal from radio interferometric data

Hydrogen intensity mapping is a new field in astronomy that promises to make three-dimensional maps of the matter distribution of the Universe using the redshifted 21cm line of neutral hydrogen gas (HI). Several ongoing and upcoming radio interferometers, such as Tianlai, CHIME, HERA, HIRAX, etc., are using this technique. These instruments are designed to map large swaths of the sky by drift scanning over periods of many months. One of the challenges of the observations is that the daytime data are contaminated by strong radio signals from the Sun. In the case of Tianlai, this results in almost half of the measured data being unusable. We try to address this issue by developing an algorithm for solar contamination removal (AlgoSCR) from the radio data. The algorithm is based on an eigenvalue analysis of the visibility matrix and hence is applicable only to interferometers. We apply AlgoSCR to simulated visibilities, as well as real daytime data from the Tianlai dish array. The algorithm can reduce strong solar contamination by about 95 per cent without seriously affecting other weaker sky signals and thus makes the data usable for certain applications.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2021

Fixed-angle conjectures for the quantum approximate optimization algorithm on regular MaxCut graphs

The quantum approximate optimization algorithm (QAOA) is a near-term combinatorial optimization algorithm suitable for noisy quantum devices. However, little is known about performance guarantees for p > 2. A recent work computing MaxCut performance guarantees for 3-regular graphs conjectures that any d-regular graph evaluated at particular fixed angles has an approximation ratio greater than some worst-case guarantee. In this work, we provide numerical evidence for this fixed angle conjecture for p < 12. We compute and provide these angles via numerical optimization and tensor networks. These fixed angles serve for an optimization-free version of QAOA and have universally good performance on any 3-regular graph. Heuristic evidence is presented for the fixed angle conjecture on graph ensembles, which suggests that these fixed angles are "close" to global optimum. Under the fixed angle conjecture, QAOA has a larger performance guarantee than the Goemans Williamson algorithm on 3-regular graphs for p >= 11.

Wurtz, Jonathan↗
DOE OSTI2021

Quantum Algorithm for High Energy Physics Simulations

Simulating quantum field theories is a flagship application of quantum computing. However, calculating experimentally relevant high energy scattering amplitudes entirely on a quantum computer is prohibitively difficult. It is well known that such high energy scattering processes can be factored into pieces that can be computed using well established perturbative techniques, and pieces which currently have to be simulated using classical Markov chain algorithms. These classical Markov chain simulation approaches work well to capture many of the salient features, but cannot capture all quantum effects. To exploit quantum resources in the most efficient way, we introduce a new paradigm for quantum algorithms in field theories. This approach uses quantum computers only for those parts of the problem which are not computable using existing techniques. In particular, we develop a polynomial time quantum final state shower that accurately models the effects of intermediate spin states similar to those present in high energy electroweak showers with a global evolution variable. The algorithm is explicitly demonstrated for a simplified quantum field theory on a quantum computer.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Scaling adaptive quantum simulation algorithms via operator pool tiling

Adaptive variational quantum simulation algorithms use information from a quantum computer to dynamically create optimal trial wave functions for a given problem Hamiltonian. A key ingredient in these algorithms is a predefined operator pool from which trial wave functions are constructed. Finding suitable pools is critical for the efficiency of the algorithm as the problem size increases. Here, we present a technique called operator pool tiling that facilitates the construction of problem-tailored pools for arbitrarily large problem instances. By first performing an Adaptive Derivative-Assembled Problem-Tailored Ansatz Variational Quantum Eigensolver (ADAPT-VQE) calculation on a smaller instance of the problem using a large, but computationally inefficient, operator pool, we extract the most relevant operators and use them to design more efficient pools for larger instances. We demonstrate the method here on strongly correlated quantum spin models in one and two dimensions, finding that ADAPT automatically finds a highly effective ansatz for these systems. Given that many problems, such as those arising in condensed matter physics, have a naturally repeating lattice structure, we expect the pool tiling method to be a widely applicable technique apt for such systems. Published by the American Physical Society 2024

Van Dyke, John S. (ORCID:0000000167815480)↗
DOE OSTI2025

Quantum algorithm to simulate Lindblad master equations

We present a quantum algorithm for simulating a family of Markovian master equations that can be realized through a probabilistic application of unitary channels and state preparation. Our approach employs a second-order product formula for the Lindblad master equation, achieved by decomposing the dynamics into dissipative and Hamiltonian components and replacing the dissipative segments with randomly compiled, easily implementable elements. The sampling approach eliminates the need for ancillary qubits to simulate the dissipation process and reduces the gate complexity in terms of the number of jump operators. We provide a rigorous performance analysis of the algorithm. We also extend the algorithm to time-dependent Lindblad equations, generalize the family of Markovian master equations it can be applied to, and explore applications beyond the Markovian noise model. A new error bound, in terms of the diamond norm, for second-order product formulas for time-dependent Liouvillians is provided that might be of independent interest. Published by the American Physical Society 2025

Borras, Evan (ORCID:000900017709037X)↗