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This paper introduces a novel approach to implementing non-unitary linear transformations of basis on quantum computational platforms, a significant leap beyond the conventional unitary methods. By integrating Singular Value Decomposition…

Quantum Physics · Physics 2025-02-14 Guorui Zhu , Joel Bierman , Jianfeng Lu , Yingzhou Li

We introduce a variational scheme inspired by classical shadow tomography to compute ground state correlations of quantum spin Hamiltonians. Shadow tomography allows for efficient reconstruction of expectation values of arbitrary…

Quantum Physics · Physics 2025-08-04 Pierre-Gabriel Rozon , Kartiek Agarwal

A bang-bang (BB) algorithm prepares the ground state of a two-dimensional (2D) quantum many-body Hamiltonian $H=H_1+H_2$ by evolving an initial product state alternating between $H_1$ and $H_2$. We use the neighborhood tensor update to…

Quantum Physics · Physics 2024-10-08 Yintai Zhang , Jacek Dziarmaga

We present a symmetry adapted residual neural network (SAResNet) diabatization method to construct quasi-diabatic Hamiltonians that accurately represent ab initio adiabatic energies, energy gradients, and nonadiabatic couplings for moderate…

Chemical Physics · Physics 2024-11-05 Yifan Shen , David Yarkony

We show how to optimally reduce the local Hilbert basis of lattice quantum many-body (QMB) Hamiltonians. The basis truncation exploits the most relevant eigenvalues of the estimated single-site reduced density matrix (RDM). It is accurate…

Strongly Correlated Electrons · Physics 2025-09-23 Peter Majcen , Giovanni Cataldi , Pietro Silvi , Simone Montangero

We propose a neural-network variational quantum algorithm to simulate the time evolution of quantum many-body systems. Based on a modified restricted Boltzmann machine (RBM) wavefunction ansatz, the proposed algorithm can be efficiently…

Quantum Physics · Physics 2021-05-12 Chee-Kong Lee , Pranay Patil , Shengyu Zhang , Chang-Yu Hsieh

Spiking Neural Networks (SNNs) are more biologically plausible and computationally efficient. Therefore, SNNs have the natural advantage of drawing the sparse structural plasticity of brain development to alleviate the energy problems of…

Neural and Evolutionary Computing · Computer Science 2023-02-06 Bing Han , Feifei Zhao , Yi Zeng , Wenxuan Pan

Amortized simulation-based inference (SBI) methods train neural networks on simulated data to perform Bayesian inference. While this strategy avoids the need for tractable likelihoods, it often requires a large number of simulations and has…

Machine Learning · Computer Science 2025-03-04 Manuel Gloeckler , Shoji Toyota , Kenji Fukumizu , Jakob H. Macke

We perform several numerical studies for our recently published adaptive compressive tomography scheme [D. Ahn et al. Phys. Rev. Lett. 122, 100404 (2019)], which significantly reduces the number of measurement settings to unambiguously…

Quantum Physics · Physics 2019-07-31 D. Ahn , Y. S. Teo , H. Jeong , D. Koutny , J. Rehacek , Z. Hradil , G. Leuchs , L. L. Sanchez-Soto

Quantum state preparation lies at the heart of quantum computation and quantum simulations, enabling the investigation of complex manybody systems across physics, chemistry, and data science. While existing methods such as Variational…

Quantum Physics · Physics 2026-01-27 Davide Cugini , Giacomo Guarnieri , Mario Motta , Dario Gerace

Quantum Monte-Carlo simulations of hybrid quantum-classical models such as the double exchange Hamiltonian require calculating the density of states of the quantum degrees of freedom at every step. Unfortunately, the computational…

Computational Physics · Physics 2022-11-23 Georgios Stratis , Phillip Weinberg , Tales Imbiriba , Pau Closas , Adrian E. Feiguin

Simulating large-scale articulated assemblies poses a significant challenge due to the numerical stiffness and geometric complexity of jointed structures. Conventional rigid body solvers struggle with the high nonlinearity induced by…

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 employ the summation-by-parts (SBP) framework to extend the recent domain-of-dependence (DoD) stabilization for cut cells to linear kinetic models in diffusion scaling. Numerical methods for these models are challenged by increased…

Numerical Analysis · Mathematics 2026-01-12 Louis Petri , Sigrun Ortleb , Gunnar Birke , Christian Engwer , Hendrik Ranocha

Generative models are a promising technology for the enhancement of quantum simulators. These machine learning methods are capable of reconstructing a quantum state from experimental measurements, and can aid in the calculation of physical…

Quantum Physics · Physics 2021-07-07 Stewart Morawetz , Isaac J. S. De Vlugt , Juan Carrasquilla , Roger G. Melko

Fragmentation methods such as the many-body expansion (MBE) are a common strategy to model large systems by partitioning energies into a hierarchy of decreasingly significant contributions. The number of fragments required for chemical…

Chemical Physics · Physics 2017-09-13 Kun Yao , John E. Herr , John Parkhill

We study source-free unsupervised domain adaptation (SFUDA) for semantic segmentation, which aims to adapt a source-trained model to the target domain without accessing the source data. Many works have been proposed to address this…

Computer Vision and Pattern Recognition · Computer Science 2024-06-12 Dong Zhao , Shuang Wang , Qi Zang , Licheng Jiao , Nicu Sebe , Zhun Zhong

State-of-the-art training algorithms for deep learning models are based on stochastic gradient descent (SGD). Recently, many variations have been explored: perturbing parameters for better accuracy (such as in Extragradient), limiting SGD…

Machine Learning · Computer Science 2022-03-23 Amirkeivan Mohtashami , Martin Jaggi , Sebastian U. Stich

Neural Quantum States (NQS) are a class of variational wave functions parametrized by neural networks (NNs) to study quantum many-body systems. In this work, we propose \texttt{SineKAN}, a NQS \textit{ansatz} based on Kolmogorov-Arnold…

Prior methodologies have disregarded the diversities among distinct degradation types during image reconstruction, employing a uniform network model to handle multiple deteriorations. Nevertheless, we discover that prevalent degradation…

Computer Vision and Pattern Recognition · Computer Science 2025-06-10 Weilei Wen , Chunle Guo , Wenqi Ren , Hongpeng Wang , Xiuli Shao