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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 109 records · Page 6

Lie-algebraic classical simulations for quantum computing

The classical simulation of quantum dynamics plays an important role in our understanding of quantum complexity and in the development of quantum technologies. Efficient techniques such as those based on the Gottesman-Knill theorem for Clifford circuits, tensor networks for low entanglement-generating circuits, or Wick's theorem for fermionic Gaussian states have become central tools in quantum computing. In this work, we contribute to this body of knowledge by presenting a framework for classical simulations, dubbed “𝔤-sim”, which is based on the underlying Lie algebraic structure of the dynamical process. When the dimension of the algebra grows at most polynomially in the system size, there exist observables for which the simulation is efficient. Indeed, we show that 𝔤-sim enables new regimes for classical simulations, is able to deal with certain forms of noise in the evolution, as well as can be used to tackle several paradigmatic variational and nonvariational quantum computing tasks. For the former, we perform Lie-algebraic simulations to train and optimize parametrized quantum circuits (thus effectively showing that some variational models can be dequantized), design enhanced parameter initialization strategies, solve tasks of quantum circuit synthesis, and train a quantum-phase classifier. For the latter, we report large-scale noiseless and noisy simulations on benchmark problems. By comparing the limitations of 𝔤-sim and certain Wick's theorem-based simulations, we find that the two methods become inefficient for different types of states or observables, hinting at the existence of distinct, nonequivalent resources for classical simulation.

97 MATHEMATICS AND COMPUTING↗

Computational strategies and improvements in the linear algebraic variational approach to rearrangement scattering

The computational steps in calculating quantum mechanical reactive scattering amplitudes by the L2 generalized Newton variational principle are discussed with emphasis on computational strategies and recent improvements that make the calculations more efficient. Special emphasis is placed on quadrature techniques, storage management strategies, use of symmetry, and boundary conditions. It is concluded that an efficient implementation of these procedures provides a powerful algorithm for the accurate solution of the Schroedinger equation for rearrangements.

Schwenke, David W.↗

Algebraic Bethe Circuits

The Algebraic Bethe Ansatz (ABA) is a highly successful analytical method used to exactly solve several physical models in both statistical mechanics and condensed-matter physics. Here we bring the ABA into unitary form, for its direct implementation on a quantum computer. This is achieved by distilling the non-unitary R matrices that make up the ABA into unitaries using the QR decomposition. Our algorithm is deterministic and works for both real and complex roots of the Bethe equations. We illustrate our method on the spin-$\frac{1}{2}$ XX and XXZ models. We show that using this approach one can efficiently prepare eigenstates of the XX model on a quantum computer with quantum resources that match previous state-of-the-art approaches. We run small-scale error mitigated implementations on the IBM quantum computers, including the preparation of the ground state for the XX and XXZ models on 4 sites. Finally, we derive a new form of the Yang-Baxter equation using unitary matrices, and also verify it on a quantum computer.

97 MATHEMATICS AND COMPUTING↗

Accelerating Scientific Computing in the Post-Moore’s Era

Novel uses of graphical processing units for accelerated computation revolutionized the field of high-performance scientific computing by providing specialized workflows tailored to algorithmic requirements. As the era of Moore’s law draws to a close, many new non–von Neumann processors are emerging as potential computational accelerators, including those based on the principles of neuromorphic computing, tensor algebra, and quantum information. While development of these new processors is continuing to mature, the potential impact on accelerated computing is anticipated to be profound. We discuss how different processing models can advance computing in key scientific paradigms: machine learning and constraint satisfaction. Significantly, each of these new processor types utilizes a fundamentally different model of computation, and this raises questions about how to best use such processors in the design and implementation of applications. While many processors are being developed with a specific domain target, the ubiquity of spin-glass models and neural networks provides an avenue for multi-functional applications. Furthermore, this also hints at the infrastructure needed to integrate next-generation processing units into future high-performance computing systems.

97 MATHEMATICS AND COMPUTING↗

Simple 14-Dimensional Lie Algebras in Characteristic Two

Using theory of deformations of Lie algebra of type G{sub 2}, isomorphisms between the known simple 14-dimensional Lie algebras over a field of even characteristic and Lie algebras of Cartan type of S or H are constructed.

97 MATHEMATICS AND COMPUTING↗

Rings whose p-ranks do not exceed 1

We consider associative torsion-free rings of finite rank whose p-ranks do not exceed 1. For these rings, certain analogues of Wedderburn's theorem on finite-dimensional algebras are found. Bibliography: 11 titles. (paper)

97 MATHEMATICS AND COMPUTING↗

Transfer Functions Via Laplace- And Fourier-Borel Transforms

Approach to solution of nonlinear ordinary differential equations involves transfer functions based on recently-introduced Laplace-Borel and Fourier-Borel transforms. Main theorem gives transform of response of nonlinear system as Cauchy product of transfer function and transform of input function of system, together with memory effects. Used to determine responses of electrical circuits containing variable inductances or resistances. Also possibility of doing all noncommutative algebra on computers in such symbolic programming languages as Macsyma, Reduce, PL1, or Lisp. Process of solution organized and possibly simplified by algebraic manipulations reducing integrals in solutions to known or tabulated forms.

Can, Sumer↗

Spherical Parameter Estimation and MPDV Applications

A new algebraic least square approach is presented for estimating effective zero center for verification of MPDV(Multichannel Photon Doppler Velocimetry) probe designs. Unlike previous algebraic least square methods for spherical parameter estimation, the new method can be shown to be concise in mathematic formulations, easy of computations, invariant under rigid -body transformations, no need for numerical approximations, and precise in dealing with precise data.

97 MATHEMATICS AND COMPUTING↗

Supercharacters of Unipotent and Solvable Groups

The notion of the supercharacter theory was introduced by P. Diaconis and I. M. Isaaks in 2008. In this paper, we present a review of the main notions and facts of the general theory and discuss the construction of the supercharacter theory for algebra groups and the theory of basic characters for unitriangular groups over a finite field. Based on his earlier papers, the author constructs the supercharacter theory for finite groups of triangular type. The structure of the Hopf algebra of supercharacters for triangular groups over finite fields is also characterized.

97 MATHEMATICS AND COMPUTING↗

On the third cohomology of algebraic groups of rank two in positive characteristic

We evaluate the third cohomology of simple simply connected algebraic groups of rank 2 over an algebraically closed field of positive characteristic with coefficients in simple modules. It is assumed that the characteristic p of the field is greater than 3 for SL{sub 3}, greater than 5 for Sp{sub 4}, and greater than 11 for G{sub 2}. It follows from the main result that the dimensions of the cohomology spaces do not exceed the rank of the algebraic group in question. To prove the main results we study the properties of the first-quadrant Lyndon-Hochschild-Serre spectral sequence with respect to an infinitesimal subgroup, namely, the Frobenius kernel of the given algebraic group. Bibliography: 49 titles.

97 MATHEMATICS AND COMPUTING↗

Design Considerations for GPU-based Mixed Integer Programming on Parallel Computing Platforms

Mixed Integer Programming (MIP) is a powerful abstraction in combinatorial optimization that finds real-life application across many significant sectors. The recent proliferation of graphical processing unit (GPU)-based accelerated computing architectures in large-scale parallel computing or supercomputing presents new opportunities as well as challenges in the advancement of MIP solver technology to effectively use the new accelerated computing platforms and scale to large parallel systems. Here, we recount the conventional processor-based strategies and focus on configurations where the most promising intersection lies between parallel MIP solver approaches and the specific strengths of accelerated parallel platforms. We note that the best potential lies in solving problems whose individual matrix sizes (of the linear program relaxation) fit entirely within one accelerator's memory and whose branch-and-bound (or branch-and-cut) trees cannot be fully contained within a small number of computational nodes. Additionally, we identify ideal features of computational linear algebra support on GPU accelerators that would help advance this direction of scalable parallel solution of MIP problems on GPU-based accelerated computing architectures.

Perumalla, Kalyan↗

The topology of integrable systems with incomplete fields

Liouville's theorem holds for Hamiltonian systems with complete Hamiltonian fields which possess a complete involutive system of first integrals; such systems are called Liouville-integrable. In this paper integrable systems with incomplete Hamiltonian fields are investigated. It is shown that Liouville's theorem remains valid in the case of a single incomplete field, while if the number of incomplete fields is greater, a certain analogue of the theorem holds. An integrable system on the algebra sl(3) is taken as an example. Bibliography: 11 titles.

97 MATHEMATICS AND COMPUTING↗

Quadratic pseudospectrum for identifying localized states

Here we examine the utility of the quadratic pseudospectrum for understanding and detecting states that are somewhat localized in position and energy, in particular, in the context of condensed matter physics. Specifically, the quadratic pseudospectrum represents a method for approaching systems with incompatible observables {A j |1 ≤ j ≤ d} as it minimizes collectively the errors $\parallel$A j v - λ j v$\parallel$ while defining a joint approximate spectrum of incompatible observables. Moreover, we derive an important estimate relating the Clifford and quadratic pseudospectra. Finally, we prove that the quadratic pseudospectrum is local and derive the bounds on the errors that are incurred by truncating the system in the vicinity of where the pseudospectrum is being calculated.

97 MATHEMATICS AND COMPUTING↗

Integral boundary conditions in phase field models

Modeling the chemical, electric and thermal transport as well as phase transitions and the accompanying mesoscale microstructure evolution within a material in an electronic device setting involves the solution of partial differential equations often with integral boundary conditions. Employing the familiar Poisson equation describing the electric potential evolution in a material exhibiting insulator to metal transitions, we exploit a special property of such an integral boundary condition, and we properly formulate the variational problem and establish its well-posedness. Next, we compare our method with the commonly-used Lagrange multiplier method that can also handle such boundary conditions. Numerical experiments demonstrate that our new method achieves optimal convergence rate in contrast to the conventional Lagrange multiplier method. Furthermore, the linear system derived from our method is symmetric positive definite, and can be efficiently solved by Conjugate Gradient method with algebraic multigrid preconditioning.

97 MATHEMATICS AND COMPUTING↗