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At least 595 records · Page 33

Asymptotic consistency of the WSINDy algorithm in the limit of continuum data

In this work we study the asymptotic consistency of the weak-form sparse identification of nonlinear dynamics algorithm (WSINDy) in the identification of differential equations from noisy samples of solutions. We prove that the WSINDy estimator is unconditionally asymptotically consistent for a wide class of models that includes the Navier–Stokes, Kuramoto–Sivashinsky and Sine–Gordon equations. We thus provide a mathematically rigorous explanation for the observed robustness to noise of weak-form equation learning. Conversely, we also show that, in general, the WSINDy estimator is only conditionally asymptotically consistent, yielding discovery of spurious terms with probability one if the noise level exceeds a critical threshold σ c . We provide explicit bounds on σ c in the case of Gaussian white noise and we explicitly characterize the spurious terms that arise in the case of trigonometric and/or polynomial libraries. Furthermore, we show that, if the data is suitably denoised (a simple moving average filter is sufficient), then asymptotic consistency is recovered for models with locally-Lipschitz, polynomial-growth nonlinearities. Our results reveal important aspects of weak-form equation learning, which may be used to improve future algorithms. We demonstrate our findings numerically using the Lorenz system, the cubic oscillator, a viscous Burgers-growth model and a Kuramoto–Sivashinsky-type high-order PDE.

asymptotic consistency↗

Radiation Mapping for an Unmanned Aerial Vehicle: Development and Simulated Testing of Algorithms for Source Mapping and Navigation Path Generation

Image reconstruction algorithms were developed for radiation source mapping and used for generating the search path of a moving radiation detector, such as one onboard an unmanned aerial vehicle. Simulations consisted of first assuming radioactive sources of varying complexity and estimating the radiation fields that would then be produced by that source distribution. Next, the "measurements" that would result from a pair of adjacent spatial locations were computed. A crude estimate of the source distribution likely to have produced such "measurements" was reconstructed based upon the limited measurements. Location of the next "measurement" was then determined as halfway between the location of the estimated source and the current "measurement." With each additional sample, improved source distribution reconstructions were made and used to inform the immediate direction of detector motion. Source reconstruction or mapping was formulated as an inverse problem solved with either maximum a posteriori or least squares (LS) regression deconvolution methods. Different amounts of noise were added to the simulated "measurements," allowing evaluation of the methods' performances as functions of signal-to-noise ratio of the measured map. As expected, methods that promote sparsity were better suited in reconstructing point sources. Reliable prior information of the source distribution also improved the reconstruction results, especially with distributed sources. With a non-negative least square algorithm and the suggested paths it generated, location of sources was successfully estimated to an accuracy of 0.014 m within nine iterations in a single-source scenario and 12 iterations in a two-source scenario, given a 10% error on the integrated counts and a Poisson distribution of the noise associated with the measured counts.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗

Scattering Processes from Quantum Simulation Algorithms for Scalar Field Theories

We provide practical simulation methods for scalar field theories on a quantum computer that yield improved asymptotics as well as concrete gate estimates for the simulation and physical qubit estimates using the surface code. We achieve these improvements through two optimizations. First, we consider a finite volume approach for estimating the elements of the S-matrix. This approach is appropriate in general for 1+1D and for certain low-energy elastic collisions in higher dimensions. Second, we implement our approach using a series of different fault-tolerant simulation algorithms for Hamiltonians formulated both in the field occupation basis and field amplitude basis. Our algorithms are based on either second-order Trotterization or qubitization. The cost of Trotterization in occupation basis scales as O ( λ N 7 | Ω | 3 / ( M 5 / 2 ϵ 3 / 2 ) ) where λ is the coupling strength, N is the occupation cutoff, | Ω | is the volume of the spatial lattice, M is the mass of the particles and ϵ is the uncertainty in the energy calculation used for the S -matrix determination. Qubitization in the field basis scales as O ( | Ω | 2 ( k 2 Λ + k M 2 ) / ϵ ) , where k is the cutoff in the field and Λ is a scaled coupling constant. We find in both cases that the bounds suggest physically meaningful simulations can be performed using on the order of 4 × 10 6 physical qubits and 10 12 T -gates which corresponds to roughly one day on a superconducting quantum computer with surface code and a cycle time of 100 ns. This places the simulation of scalar field theory within striking distance of the gate counts for the best available chemistry simulation results.

Hardy, Andrew [Toronto U.] (ORCID:0000000235817382↗

Compact representation and long-time extrapolation of real-time data for quantum systems using the ESPRIT algorithm

Representing real-time data as a sum of complex exponentials provides a compact form that enables both denoising and extrapolation. As a fully data-driven method, the Estimation of Signal Parameters via Rotational Invariance Techniques (ESPRIT) algorithm is agnostic to the underlying physical equations, making it broadly applicable to various observables and experimental or numerical setups. In this work, we consider applications of the ESPRIT algorithm primarily to extend real-time dynamical data from simulations of quantum systems. We evaluate ESPRIT's performance in the presence of noise and compare it to other extrapolation methods. We demonstrate its ability to extract information from short-time dynamics to reliably predict long-time behavior and determine the minimum time interval required for accurate results. We discuss how this insight can be leveraged in numerical methods that propagate quantum systems in time, and we show how ESPRIT can predict infinite-time values of dynamical observables, offering a purely data-driven approach to characterizing quantum phases.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Simple algorithm for polarized parton evolution

We present an algorithm to include the correlation between the production and decay planes of gluons in a parton-shower simulation. The technique is based on identifying the charge currents responsible for the creation and annihilation of the vector field. It is applicable in both the hard-collinear and the soft wide-angle region. As a function of the number of particles, the algorithm scales linear in computing time and memory. We demonstrate agreement with fixed-order perturbative calculations in the relevant kinematical limits, and present a new observable that can be used to probe correlations beyond current-current interactions.

Höche, Stefan [Fermi National Accelerator Laborato↗

Block Lanczos algorithm for lattice QCD spectroscopy and matrix elements

Recent work introduced a new framework for analyzing correlation functions with improved convergence and signal-to-noise properties, as well as rigorous quantification of excited-state effects, based on the Lanczos algorithm and spurious eigenvalue filtering with the Cullum-Willoughby test. Here, we extend this framework to the analysis of correlation-function matrices built from multiple interpolating operators in lattice quantum chromodynamics (QCD) by constructing an oblique generalization of the block Lanczos algorithm, as well as a new physically motivated reformulation of the Cullum-Willoughby test that generalizes to block Lanczos straightforwardly. The resulting block Lanczos method directly extends generalized eigenvalue problem (GEVP) methods, which can be viewed as applying a single iteration of block Lanczos. Block Lanczos provides qualitative and quantitative advantages over GEVP methods analogous to the benefits of Lanczos over the standard effective mass, including faster convergence to ground- and excited-state energies, explicitly computable two-sided error bounds, straightforward extraction of matrix elements of external currents, and asymptotically constant signal-to-noise. No fits or statistical inference are required. Proof-of-principle calculations are performed for noiseless mock-data examples as well as two-by-two proton correlation-function matrices in lattice QCD.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Lanczos Algorithm, the Transfer Matrix, and the Signal-to-Noise Problem

This Letter introduces a method for determining the energy spectrum of lattice quantum chromodynamics by applying the Lanczos algorithm to the transfer matrix and using a bootstrap generalization of the Cullum-Willoughby method to filter out spurious eigenvalues. Proof-of-principle analyses of the simple harmonic oscillator and the lattice quantum chromodynamics proton mass demonstrate that this method provides faster ground-state convergence than the “effective mass,” which is related to the power-iteration algorithm. Lanczos provides more accurate energy estimates than multistate fits to correlation functions with small imaginary times while achieving comparable statistical precision. Two-sided error bounds are computed for Lanczos results and guarantee that excited-state effects cannot shift Lanczos results far outside their statistical uncertainties.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Freedom of the mixer rotation axis improves performance in the quantum approximate optimization algorithm

Variational quantum algorithms such as the quantum approximate optimization algorithm (QAOA) are particularly attractive candidates for implementation on near-term quantum processors. As hardware realities such as error and qubit connectivity will constrain achievable circuit depth in the near future, new ways to achieve high performance at low depth are of great interest. In this work, we present a modification to QAOA that adds additional variational parameters in the form of freedom of the rotation axis in the XY plane of the mixer Hamiltonian. Here, via numerical simulation, we show that this leads to a drastic performance improvement over standard QAOA at finding solutions to the MaxCut problem on graphs of up to seven qubits. Furthermore, we explore the Z-phase error mitigation properties of our modified Ansatz, its performance under a realistic error model for a neutral atom quantum processor, and the class of problems it can solve in a single round.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Gauge constrained algorithm of variational discrete action theory at N = 3 for the multiorbital Hubbard model

The recently developed variational discrete action theory (VDAT) provides a systematic variational approach to the ground state of the quantum many-body problem, where the quality of the solution is controlled by an integer N, and increasing N monotonically approaches the exact solution. VDAT can be exactly evaluated in the d = ∞ multiorbital Hubbard model using the self-consistent canonical discrete action theory (SCDA), which requires a self-consistency condition for the integer time Green's functions. Previous work demonstrates that N = 3 accurately captures multiorbital Mott/Hund physics at a cost similar to the Gutzwiller approximation. Here we employ a gauge constraint to automatically satisfy the self-consistency condition of the SCDA at N = 3, yielding an even more efficient algorithm with enhanced numerical stability. We derive closed form expressions of the gauge constrained algorithm for the multiorbital Hubbard model with general density-density interactions, allowing VDAT at N = 3 to be straightforwardly applied to the seven-orbital Hubbard model. We present results and a performance analysis using N = 2 and N = 3 for the SU⁡(2⁢N orb ) Hubbard model in d = ∞ with N orb = 2–8, and compare to numerically exact dynamical mean-field theory solutions where available. Finally, the developments in this work will greatly facilitate the application of VDAT at N = 3 to strongly correlated electron materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Minijet clustering algorithm using transverse-momentum seeds in high-energy nuclear collisions

We propose an algorithm to detect mini-jet clusters in high-energy nuclear collisions, by selecting a high-transverse-momentum (pT) particle as a seed and assigning a clustering radius (R) in the pseudorapidity and azimuthal-angle space. Our PYTHIA simulations for p+p collisions show that a scheme with a seeding p T of around 0.5 GeV/c and R of approximately 0.6 satisfactorily identifies mini-jet clusters. The correlation between clusters obtained in PYTHIA calculations using the algorithm exhibits the proper behavior of hard-scattering-like processes, suggesting its usefulness in isolating mini-jet-like clusters from non-hard-scattering soft processes when applied to actual nuclear-collision data, thereby allowing a closer examination of both the mini-jet and the soft mechanisms.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Advection algorithms for quantum neutrino moment transport

Neutrino transport in compact objects is an inherently challenging multidimensional problem. Here, this difficulty is compounded if one includes flavor transformation—an intrinsically quantum phenomenon requiring one to follow the coherence between flavors and thus necessitating the introduction of complex numbers. To reduce the computational burden, simulations of compact objects that include neutrino transport often make use of momentum-angle-integrated moments (the lowest order ones being commonly referred to as the energy density and flux) and these quantities can be generalized to include neutrino flavor, i.e., they become quantum moments. Numerous finite-volume approaches to solving the moment evolution equations for classical neutrino transport have been developed based on solving a Riemann problem at cell interfaces. In this paper we describe our generalization of a Riemann solver for quantum moments, specifically decomposing complex numbers in terms of a (signed) magnitude and phase instead of real and imaginary parts. We then test our new algorithm in numerous cases showing a neutrino fast flavor instability, varying from toy models with analytic solutions to snapshots from neutron star merger simulations. Compared to previous algorithms for neutrino transport with flavor mixing, we find uniformly smaller growth rates of the flavor transformation along with concomitantly larger length-scales, and that the results are a better match with the growth rates seen from multiangle codes.

79 ASTRONOMY AND ASTROPHYSICS↗

Steepest-descent algorithm for simulating plasma-wave caustics via metaplectic geometrical optics

The design and optimization of radiofrequency-wave systems for fusion applications is often performed using ray-tracing codes, which rely on the geometrical-optics (GO) approximation. However, GO fails at wave cutoffs and caustics. To accurately model the wave behavior in these regions, more advanced and computationally expensive “full-wave” simulations are typically used, but this is not strictly necessary. A new generalized formulation called metaplectic geometrical optics (MGO) has been proposed that reinstates GO near caustics. The MGO framework yields an integral representation of the wavefield that must be evaluated numerically in general. We present an algorithm for computing these integrals using Gauss-Freud quadrature along the steepest-descent contours. Benchmarking is performed on the standard Airy problem, for which the exact solution is known analytically. Furthermore, the numerical MGO solution provided by the new algorithm agrees remarkably well with the exact solution and significantly improves on previously derived analytical approximations of the MGO integral.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Modeling electrokinetic flows with the discrete ion stochastic continuum overdamped solvent algorithm

In this article we develop an algorithm for the efficient simulation of electrolytes in the presence of physical boundaries. In previous work the discrete ion stochastic continuum overdamped solvent (DISCOS) algorithm was derived for triply periodic domains, and was validated through ion-ion pair correlation functions and Debye-Hückel-Onsager theory for conductivity, including the Wien effect for strong electric fields. In extending this approach to include an accurate treatment of physical boundaries we must address several important issues. First, the modifications to the spreading and interpolation operators necessary to incorporate interactions of the ions with the boundary are described. Next we discuss the modifications to the electrostatic solver to handle the influence of charges near either a fixed potential or dielectric boundary. An additional short-ranged potential is also introduced to represent interaction of the ions with a solid wall. Finally, the dry diffusion term is modified to account for the reduced mobility of ions near a boundary, which introduces an additional stochastic drift correction. Herein, several validation tests are presented confirming the correct equilibrium distribution of ions in a channel. Additionally, the methodology is demonstrated using electro-osmosis and induced-charge electro-osmosis, with comparison made to theory and other numerical methods. Notably, the DISCOS approach achieves greater accuracy than a continuum electrostatic simulation method. We also examine the effect of under-resolving hydrodynamic effects using a “dry diffusion” approach, and find that considerable computational speedup can be achieved with a negligible impact on accuracy.

97 MATHEMATICS AND COMPUTING↗

Optimal Protocols in Quantum Annealing and Quantum Approximate Optimization Algorithm Problems

Quantum annealing (QA) and the quantum approximate optimization algorithm (QAOA) are two special cases of the following control problem: apply a combination of two Hamiltonians to minimize the energy of a quantum state. Which is more effective has remained unclear. Here we analytically apply the framework of optimal control theory to show that generically, given a fixed amount of time, the optimal procedure has the pulsed (or “bang-bang”) structure of QAOA at the beginning and end but can have a smooth annealing structure in between. This is in contrast to previous works which have suggested that bang-bang (i.e., QAOA) protocols are ideal. To support this theoretical work, we carry out simulations of various transverse field Ising models, demonstrating that bang-anneal-bang protocols are more common. Futher, the general features identified here provide guideposts for the nascent experimental implementations of quantum optimization algorithms.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Demonstration of Algorithmic Quantum Speedup

Despite the development of increasingly capable quantum computers, an experimental demonstration of a provable algorithmic quantum speedup employing today’s non-fault-tolerant devices has remained elusive. Here, in this study, we unequivocally demonstrate such a speedup within the oracular model, quantified in terms of the scaling with the problem size of the time-to-solution metric. We implement the single-shot Bernstein-Vazirani algorithm, which solves the problem of identifying a hidden bitstring that changes after every oracle query, using two different 27-qubit IBM Quantum superconducting processors. The speedup is observed on only one of the two processors when the quantum computation is protected by dynamical decoupling but not without it. The quantum speedup reported here does not rely on any additional assumptions or complexity-theoretic conjectures and solves a bona fide computational problem in the setting of a game with an oracle and a verifier.

97 MATHEMATICS AND COMPUTING↗

Solving reaction dynamics with quantum computing algorithms

The description of quantum many-body dynamics is extremely challenging on classical computers, as it can involve many degrees of freedom. However, the time evolution of quantum states is a natural application for quantum computers that are designed to efficiently perform unitary transformations. Here, in this paper, we study quantum algorithms for response functions, relevant for describing different reactions governed by linear response. We focus on nuclear-physics applications and consider a qubit-efficient mapping on the lattice, which can efficiently represent the large volumes required for realistic scattering simulations. For the case of a contact interaction, we develop an algorithm for time evolution based on the Trotter approximation that scales logarithmically with the lattice size and is combined with quantum phase estimation. We eventually focus on the nuclear two-body system and a typical response function relevant for electron scattering as an example. We also investigate ground-state preparation and examine the total circuit depth required for a realistic calculation and the hardware noise level required to interpret the signal.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Inference of response functions with the help of machine-learning algorithms

Response functions are a key quantity to describe the near-equilibrium dynamics of strongly interacting many-body systems. Recent techniques that attempt to overcome the challenges of calculating these ab initio have employed expansions in terms of orthogonal polynomials. We employ a neural network prediction algorithm to reconstruct a response function 𝑆⁡(𝜔) defined over a range in frequencies 𝜔. Here, we represent the calculated response function as a truncated Chebyshev series whose coefficients can be optimized to reduce the representation error. We compare the quality of response functions obtained using coefficients calculated using a neural network (NN) algorithm with those computed using the Gaussian integral transform (GIT) method. In the regime where only a small number of terms in the Chebyshev series are retained, we find that the NN scheme outperforms the GIT method.

Kurkcuoglu, Doga Murat [Fermi National Accelerator↗

Analyzing the Quantum Approximate Optimization Algorithm: Ansätze, Symmetries, and Lie Algebras

The quantum approximate optimization algorithm (QAOA) has been proposed as a method to obtain approximate solutions for combinatorial optimization tasks. In this work, we study the underlying algebraic properties of three QAOA ansätze for the maximum-cut problem on connected graphs, while focusing on the generated Lie algebras as well as their invariant subspaces. Specifically, we analyze the standard QAOA ansatz as well as the orbit and multiangle ansätze. We are able to fully characterize the Lie algebras of the multiangle ansatz across arbitrary connected graphs, finding that they only fall into one of just six families. Aside from the cycle and path graphs, the Lie dimensions for every graph are exponentially large in the system size, meaning that multiangle ansätze are extremely prone to exhibiting barren plateaus. Then, a similar quasi-graph-independent Lie-algebraic characterization beyond the multiangle ansatz is impeded as the circuit exhibits additional “hidden” symmetries besides those naturally arising from a certain parity-superselection operator and all automorphisms of the considered graph. Disregarding the “hidden” symmetries, we can upper bound the dimensions of the orbit and the standard Lie algebras, and the dimensions of the associated invariant subspaces are determined via explicit character formulas. To finish, we conjecture that (for most graphs) the standard Lie algebras have only components that are either exponential or that grow, at most, polynomially with the system size. This would imply that the QAOA is either prone to barren plateaus or classically simulable. More generally, our work provides a symmetry framework and tools to analyze any desired variational quantum algorithm.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗