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A Generalized Morse Potential (GMP) is an extension of the Morse Potential (MP) with an additional exponential term and an additional parameter that compensate for MP's erroneous behavior in the long range part of the interaction potential.…

Chemical Physics · Physics 2022-10-26 Saad Qadeer , Garrett D. Santis , Panos Stinis , Sotiris S. Xantheas

In optimizing real-world structures, due to fabrication or budgetary restraints, the design variables may be restricted to a set of standard engineering choices. Such variables, commonly called categorical variables, are discrete and…

Computational Engineering, Finance, and Science · Computer Science 2025-01-03 Mehran Ebrahimi , Hyunmin Cheong , Pradeep Kumar Jayaraman , Farhad Javid

We extensively develop a method of implementing mean-field calculations for deformed nuclei, using the Gaussian expansion method (GEM). This GEM algorithm has the following advantages: (i) it can efficiently describe the energy-dependent…

Nuclear Theory · Physics 2008-11-26 H. Nakada

We introduce schemes for linear-optical quantum state generation. A quantum state generator is a device that prepares a desired quantum state using product inputs from photon sources, linear-optical networks, and postselection using photon…

Quantum Physics · Physics 2009-11-13 N. M. VanMeter , P. Lougovski , D. B. Uskov , K. Kieling , J. Eisert , Jonathan P. Dowling

We propose a deterministic scheme of generating genuine multiparty entangled states in quantum networks of arbitrary size having various geometric structures -- we refer to it as entanglement circulation. The procedure involves optimization…

Quantum Physics · Physics 2022-09-16 Pritam Halder , Ratul Banerjee , Srijon Ghosh , Amit Kumar Pal , Aditi Sen De

We propose a new theoretical approach to ground and low-energy excited states of nuclei extending the nuclear mean-field theory. It consists of three steps: stochastic preparation of many Slater determinants, the parity and angular momentum…

Nuclear Theory · Physics 2009-11-11 S. Shinohara , H. Ohta , T. Nakatsukasa , K. Yabana

The generalized Gauss-Newton (GGN) optimization method incorporates curvature estimates into its solution steps, and provides a good approximation to the Newton method for large-scale optimization problems. GGN has been found particularly…

Machine Learning · Computer Science 2024-04-24 Adeyemi D. Adeoye , Philipp Christian Petersen , Alberto Bemporad

A generalized contour deformation method (GCDM) which combines complex rotation and translation in momentum space, is discussed. GCDM gives accurate results for bound, virtual (antibound), resonant and scattering states starting with a…

Nuclear Theory · Physics 2008-11-26 G. Hagen , M. Hjorth-Jensen , J. S. Vaagen

As the quantum computing community gravitates towards understanding the practical benefits of quantum computers, having a clear definition and evaluation scheme for assessing practical quantum advantage in the context of specific…

Machine Learning · Computer Science 2023-05-12 Kaitlin Gili , Marta Mauri , Alejandro Perdomo-Ortiz

This work investigates a variant of the conjugate gradient (CG) method and embeds it into the context of high-order finite-element schemes with fast matrix-free operator evaluation and cheap preconditioners like the matrix diagonal. Relying…

Mathematical Software · Computer Science 2022-05-19 Martin Kronbichler , Dmytro Sashko , Peter Munch

The conjugate gradient method (CG) is typically used with a preconditioner which improves efficiency and robustness of the method. Many preconditioners include parameters and a proper choice of a preconditioner and its parameters is often…

Numerical Analysis · Mathematics 2019-06-04 Alexandr Katrutsa , Mike Botchev , George Ovchinnikov , Ivan Oseledets

Generalized linear mixed models (GLMMs) are a widely used tool in statistical analysis. The main bottleneck of many computational approaches lies in the inversion of the high dimensional precision matrices associated with the random…

Computation · Statistics 2025-10-08 Andrea Pandolfi , Omiros Papaspiliopoulos , Giacomo Zanella

Classifier ensembles are pattern recognition structures composed of a set of classification algorithms (members), organized in a parallel way, and a combination method with the aim of increasing the classification accuracy of a…

In this paper I describe a collective coordinate approach to the study of giant graviton states and their excitations in various field theories. The method simplifies considerably the understanding of emergent gauge symmetry of these…

High Energy Physics - Theory · Physics 2013-06-19 David Berenstein

We present a new method for the optimization of large configuration interaction (CI) expansions in the quantum Monte Carlo (QMC) framework. The central idea here is to replace the non-orthogonal variational optimization of CI coefficients…

Chemical Physics · Physics 2022-05-26 Abdallah Ammar , Emmanuel Giner , Anthony Scemama

We present a new accelerated gradient-based method for solving smooth unconstrained optimization problems. The goal is to embed a heavy-ball type of momentum into the Fast Gradient Method (FGM). For this purpose, we devise a generalization…

Optimization and Control · Mathematics 2021-11-02 Endrit Dosti , Sergiy A. Vorobyov , Themistoklis Charalambous

We propose Energy-based generator matching (EGM), a modality-agnostic approach to train generative models from energy functions in the absence of data. Extending the recently proposed generator matching, EGM enables training of arbitrary…

Machine Learning · Computer Science 2025-11-20 Dongyeop Woo , Minsu Kim , Minkyu Kim , Kiyoung Seong , Sungsoo Ahn

Generalised planning (GP) refers to the task of synthesising programs that solve families of related planning problems. We introduce a novel, yet simple method for GP: given a set of training problems, for each problem, compute an optimal…

Artificial Intelligence · Computer Science 2025-11-17 Dillon Z. Chen , Till Hofmann , Toryn Q. Klassen , Sheila A. McIlraith

Stochastic gradient descent with momentum (SGDM) methods have become fundamental optimization tools in machine learning, combining the computational efficiency of stochastic gradients with the acceleration benefits of momentum. Despite…

Optimization and Control · Mathematics 2026-03-02 Zimeng Wang , Alp Yurtsever

Gradient-based optimization is a key ingredient of variational quantum algorithms, with applications ranging from quantum machine learning to quantum chemistry and simulation. The parameter-shift rule provides a hardware-friendly method for…

Quantum Physics · Physics 2025-10-08 Leonardo Banchi , Dominic Branford , Chetan Waghela
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