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We design two variational algorithms to optimize specific 2-local Hamiltonians defined on graphs. Our algorithms are inspired by the Quantum Approximate Optimization Algorithm. We develop formulae to analyze the energy achieved by these…

Quantum Physics · Physics 2024-12-20 Kunal Marwaha , Adrian She , James Sud

We present a formalism that allows for the direct manipulation and optimization of subspaces, circumventing the need to optimize individual states when using subspace methods. Using the determinant state mapping, we can naturally extend…

Quantum Physics · Physics 2026-04-29 Adrien Kahn , Luca Gravina , Filippo Vicentini

A paramount goal in the field of nuclear physics is to unify ab-initio treatments of bound and unbound states. The position-space quantum Monte Carlo (QMC) methods have a long history of successful bound state calculations in light systems…

Nuclear Theory · Physics 2023-08-29 Abraham R. Flores , Kenneth M. Nollett

Building on recent results for adiabatic gauge potentials, we propose a variational approach for computing the generator of Schrieffer-Wolff transformations. These transformations consist of block diagonalizing a Hamiltonian through a…

Strongly Correlated Electrons · Physics 2020-01-15 Jonathan Wurtz , Pieter Claeys , Anatoli Polkovnikov

We demonstrate that a broad class of excited state variational principles is not size consistent. In light of this difficulty, we develop and test an approach to excited state optimization that transforms between variational principles in…

Chemical Physics · Physics 2017-09-01 Jacqueline A. R. Shea , Eric Neuscamman

We apply a variational method devised for the nuclear many--body problem to the 1-dimensional Hubbard--model with nearest neighbor hopping and periodic boundary conditions. The test wave function consist for each state out of a single…

Strongly Correlated Electrons · Physics 2008-11-26 K. W. Schmid , T. Dahm , J. Margueron , H. Müther

We provide a new approach, along with extensions, to results in two important papers of Worsley, Siegmund and coworkers closely tied to the statistical analysis of fMRI (functional magnetic resonance imaging) brain data. These papers…

Probability · Mathematics 2013-02-20 Robert J. Adler , Eliran Subag , Jonathan E. Taylor

Motivated by the problem of the evolution of bulk gravitational waves in Randall-Sundrum cosmology, we develop a characteristic numerical scheme to solve 1+1 dimensional wave equations in the presence of a moving timelike boundary. The…

High Energy Physics - Theory · Physics 2008-11-26 Sanjeev S. Seahra

Monte Carlo methods are widely used importance sampling techniques for studying complex physical systems. Integrating these methods with deep learning has significantly improved efficiency and accuracy in high-dimensional problems and…

Disordered Systems and Neural Networks · Physics 2024-12-24 Yixiong Ren , Jianhui Zhou

Recently developed neural network-based wave function methods are capable of achieving state-of-the-art results for finding the ground state in real space. In this work, a neural network-based method is used to compute excited states. We…

Computational Physics · Physics 2021-10-04 Yimeng Min

We propose an efficient numerical method, which combines the advantages of recently developed tensor-network based methods and standard trial wave functions, to study the ground state properties of quantum many-body systems. In this…

Strongly Correlated Electrons · Physics 2015-05-22 Olga Sikora , Hsueh-Wen Chang , Chung-Pin Chou , Frank Pollmann , Ying-Jer Kao

We present an advanced $\textit{ab initio}$ quantum Monte Carlo (QMC) calculation of the ground state of undoped CaCuO$_2$. We extend the traditional single-determinant Slater-Jastrow approach to include multi-determinant wave functions,…

Strongly Correlated Electrons · Physics 2024-09-10 Chun Yu Chow , William A. Wheeler , Lucas K. Wagner

We study several aspects of the recently introduced fixed-phase spin-orbit diffusion Monte Carlo (FPSODMC) method, in particular, its relation to the fixed-node method and its potential use as a general approach for electronic structure…

Computational Physics · Physics 2017-10-18 Cody A. Melton , Lubos Mitas

We develop a variational framework for addressing two-dimensional non-integrable quantum field theories through the exact structure of their integrable counterparts. Concentrating on the $\varphi^4$ Landau-Ginzburg model, we use the…

High Energy Physics - Theory · Physics 2025-12-19 Arthur Hutsalyuk , Márton Lájer , Giuseppe Mussardo , Andrea Stampiggi

Capturing the correlation emerging between constituents of many-body systems accurately is one of the key challenges for the appropriate description of various systems whose properties are underpinned by quantum mechanical fundamentals.…

Quantum Physics · Physics 2023-08-17 Yannic Rath

Neural Network Variational Monte Carlo (NNVMC) has emerged as a promising paradigm for solving quantum many-body problems by combining variational Monte Carlo with expressive neural-network wave-function ans\"atze. Although NNVMC can…

Hardware Architecture · Computer Science 2026-03-24 Zhengze Xiao , Xuanzhe Ding , Yuyang Lou , Lixue Cheng , Chaojian Li

Neural-network quantum states have emerged as a powerful variational framework for quantum many-body systems, with recent progress often driven by massively parallel architectures such as transformers. Recurrent neural network quantum…

Strongly Correlated Electrons · Physics 2026-05-14 Ejaaz Merali , Mohamed Hibat-Allah , Mohammad Kohandel , Richard T. Scalettar , Ehsan Khatami

Recent demonstrations of D-Wave's annealing-based quantum simulators have established new benchmarks for quantum computational advantage [arXiv:2403.00910]. However, the precise location of the classical-quantum computational frontier…

Quantum Physics · Physics 2025-03-12 Linda Mauron , Giuseppe Carleo

Two of the most influential ideas developed by Richard Feynman are the Feynman diagram technique and his variational approach. The former provides a powerful tool to construct a systematic expansion for a generic interacting system, while…

Materials Science · Physics 2019-05-15 Kun Chen , Kristjan Haule

We propose a new variational inference algorithm for learning in Gaussian Process State-Space Models (GPSSMs). Our algorithm enables learning of unstable and partially observable systems, where previous algorithms fail. Our main algorithmic…

Machine Learning · Computer Science 2020-06-11 Silvan Melchior , Sebastian Curi , Felix Berkenkamp , Andreas Krause