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Variational wave functions used in the variational Monte Carlo (VMC) method are extensively improved to overcome the biases coming from the assumed variational form of the wave functions. We construct a highly generalized variational form…

Strongly Correlated Electrons · Physics 2008-10-27 Daisuke Tahara , Masatoshi Imada

The paradigm of differentiable programming has significantly enhanced the scope of machine learning via the judicious use of gradient-based optimization. However, standard differentiable programming methods (such as autodiff) typically…

We consider the joint estimation of change point locations and the sparsity pattern of the variance covariance matrix, which is assumed to evolve in a piecewise constant manner. By applying Group Fused LASSO and LASSO penalties to the…

Methodology · Statistics 2026-05-14 Ying Lin , Benjamin Poignard

Recent studies have illustrated that stochastic gradient Markov Chain Monte Carlo techniques have a strong potential in non-convex optimization, where local and global convergence guarantees can be shown under certain conditions. By…

Machine Learning · Statistics 2018-06-08 Umut Şimşekli , Çağatay Yıldız , Thanh Huy Nguyen , Gaël Richard , A. Taylan Cemgil

The worm algorithm is a versatile technique in the Markov chain Monte Carlo method for both classical and quantum systems. The algorithm substantially alleviates critical slowing down and reduces the dynamic critical exponents of various…

Statistical Mechanics · Physics 2021-01-19 Hidemaro Suwa

We describe a parallel, adaptive, multi-block algorithm for explicit integration of time dependent partial differential equations on two-dimensional Cartesian grids. The grid layout we consider consists of a nested hierarchy of fixed size,…

Mathematical Software · Computer Science 2017-03-10 Donna Calhoun , Carsten Burstedde

How can we compute the pseudoinverse of a sparse feature matrix efficiently and accurately for solving optimization problems? A pseudoinverse is a generalization of a matrix inverse, which has been extensively utilized as a fundamental…

Machine Learning · Computer Science 2020-11-10 Jinhong Jung , Lee Sael

We introduce a stable, well tested Python implementation of the affine-invariant ensemble sampler for Markov chain Monte Carlo (MCMC) proposed by Goodman & Weare (2010). The code is open source and has already been used in several published…

Instrumentation and Methods for Astrophysics · Physics 2013-11-26 Daniel Foreman-Mackey , David W. Hogg , Dustin Lang , Jonathan Goodman

Sparse matrix vector multiplication (SpMV) is an important kernel in scientific and engineering applications. The previous optimizations are sparse matrix format specific and expose the choice of the best format to application programmers.…

Mathematical Software · Computer Science 2012-10-10 Jiajia Li , Xiuxia Zhang , Guangming Tan , Mingyu Chen

The nonlinearity of a Boolean function is a key property in deciding its suitability for cryptographic purposes, e.g. as a combining function in stream ciphers, and so the nonlinearity computation is an important problem for applications.…

Information Theory · Computer Science 2016-10-20 Emanuele Bellini , Teo Mora , Massimiliano Sala

Correspondence problems are often modelled as quadratic optimization problems over permutations. Common scalable methods for approximating solutions of these NP-hard problems are the spectral relaxation for non-convex energies and the…

Graphics · Computer Science 2017-05-18 Nadav Dym , Haggai Maron , Yaron Lipman

Quantum computers can be used to address molecular structure, materials science and condensed matter physics problems, which currently stretch the limits of existing high-performance computing resources. Finding exact numerical solutions to…

We analyze a weighted Frobenius loss for approximating symmetric positive definite matrices in the context of preconditioning iterative solvers. Unlike the standard Frobenius norm, the weighted loss penalizes error components associated…

Numerical Analysis · Mathematics 2025-09-23 Vladislav Trifonov , Ivan Oseledets , Ekaterina Muravleva

Efficient high-rank approximations of the Hessian can accelerate seismic full waveform inversion (FWI) and uncertainty quantification (UQ). In FWI, approximations of the inverse of the Hessian may be used as preconditioners for Newton-type…

Numerical Analysis · Mathematics 2025-08-12 Mathew Hu , Nick Alger , Rami Nammour , Omar Ghattas

We address the correspondence-free alignment of two rotation sets on \(SO(3)\), a core task in calibration and registration that is often impeded by missing time alignment, outliers, and unknown axis conventions. Our key idea is to…

Robotics · Computer Science 2025-12-02 Anik Sarker , Alan T. Asbeck

This paper proposes the recursive and square-root BLS algorithms to improve the original BLS for new added inputs, which utilize the inverse and inverse Cholesky factor of the Hermitian matrix in the ridge inverse, respectively, to update…

Machine Learning · Computer Science 2023-01-26 Hufei Zhu

In this paper, we propose a novel and low-complexity atomic multiple-input multiple-output (MIMO) receiver architecture assisted by a reconfigurable intelligent surface (RIS). By introducing RIS and utilizing pulse amplitude modulation…

Signal Processing · Electrical Eng. & Systems 2025-10-20 Qihao Peng , Jiuyu Liu , Qu Luo , Yi Ma , Pei Xiao , Maged Elkashlan , George K. Karagiannidis

Envelope models provide a sufficient dimension reduction framework for multivariate regression analysis. Bayesian inference for these models has been developed primarily using Markov chain Monte Carlo (MCMC) methods. Specifically, Gibbs…

Methodology · Statistics 2026-03-03 Seunghyeon Kim , Kwangmin Lee , Yeonhee Park

Motivated by the challenge of seeking a rigorous foundation for the bulk-boundary correspondence for free fermions, we introduce an algorithm for determining exactly the spectrum and a generalized-eigenvector basis of a class of banded…

Quantum Physics · Physics 2017-04-27 Emilio Cobanera , Abhijeet Alase , Gerardo Ortiz , Lorenza Viola

We study the inversion analog of the well-known Gauss algorithm for multiplying complex matrices. A simple version is $(A + iB)^{-1} = (A + BA^{-1}B)^{-1} - i A^{-1}B(A+BA^{-1} B)^{-1}$ when $A$ is invertible, which may be traced back to…

Numerical Analysis · Mathematics 2023-10-10 Zhen Dai , Lek-Heng Lim , Ke Ye