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Deep learning methods have achieved great success in solving partial differential equations (PDEs), where the loss is often defined as an integral. The accuracy and efficiency of these algorithms depend greatly on the quadrature method. We…

Numerical Analysis · Mathematics 2022-10-31 Fengjiang Fu , Xiaoqun Wang

Diffusion Monte Carlo (DMC) is an exact technique to project out the ground state (GS) of a Hamiltonian. Since the GS is always bosonic, in fermionic systems the projection needs to be carried out while imposing anti-symmetric constraints,…

Computational Physics · Physics 2025-01-08 Kousuke Nakano , Sandro Sorella , Dario Alfè , Andrea Zen

Low-discrepancy points (also called Quasi-Monte Carlo points) are deterministically and cleverly chosen point sets in the unit cube, which provide an approximation of the uniform distribution. We explore two methods based on such…

Machine Learning · Statistics 2024-12-16 Simone Göttlich , Jacob Heieck , Andreas Neuenkirch

The recently developed information-theoretic approach to crystallographic symmetry classifications and quantifications in two dimensions (2D) from digital transmission electron and scanning probe microscope images is adapted for the…

Materials Science · Physics 2022-08-10 Peter Moeck , Lukas von Koch

We introduce a discretization scheme for continuous localized frames using quasi-Monte Carlo integration and discrepancy theory. By generalizing classical concepts, we define a discrepancy measure on the entire phase space $\mathbb{R}^2$…

Functional Analysis · Mathematics 2025-07-02 Jan Zimmermann , Andreas Klotz , Nicki Holighaus

Most quasi-Monte Carlo research focuses on sampling from the unit cube. Many problems, especially in computer graphics, are defined via quadrature over the unit triangle. Quasi-Monte Carlo methods for the triangle have been developed by…

Numerical Analysis · Mathematics 2014-03-12 Kinjal Basu , Art B. Owen

We initiate a general approach to the relative braid group symmetries on (universal) $\imath$quantum groups, arising from quantum symmetric pairs of arbitrary finite types, and their modules. Our approach is built on new intertwining…

Quantum Algebra · Mathematics 2023-11-22 Weiqiang Wang , Weinan Zhang

We present a similarity transformation theory based on a polynomial form of a particle-hole pair excitation operator. In the weakly correlated limit, this polynomial becomes an exponential, leading to coupled cluster doubles. In the…

Strongly Correlated Electrons · Physics 2016-11-23 Matthias Degroote , Thomas M. Henderson , Jinmo Zhao , Jorge Dukelsky , Gustavo E. Scuseria

Metric embeddings are a widely used method in algorithm design, where generally a ``complex'' metric is embedded into a simpler, lower-dimensional one. Historically, the theoretical computer science community has focused on bi-Lipschitz…

Data Structures and Algorithms · Computer Science 2025-05-19 Ainesh Bakshi , Vincent Cohen-Addad , Samuel B. Hopkins , Rajesh Jayaram , Silvio Lattanzi

Monte Carlo (MC) and Quasi-Monte Carlo (QMC) methods are classical approaches for the numerical integration of functions $f$ over $[0,1]^d$. While QMC methods can achieve faster convergence rates than MC in moderate dimensions, their…

Numerical Analysis · Mathematics 2025-08-27 Jiaheng Chen , Haotian Jiang , Nathan Kirk

Gerber and Chopin (2015) recently introduced Sequential quasi-Monte Carlo (SQMC) algorithms as an efficient way to perform filtering in state-space models. The basic idea is to replace random variables with low-discrepancy point sets, so as…

Computation · Statistics 2015-06-22 Mathieu Gerber , Nicolas Chopin

Variational quantum Monte Carlo (QMC) is an ab-initio method for solving the electronic Schr\"odinger equation that is exact in principle, but limited by the flexibility of the available ansatzes in practice. The recently introduced deep…

Computational Physics · Physics 2021-03-26 Zeno Schätzle , Jan Hermann , Frank Noé

We consider the local discrepancy of a symmetrized version of Hammersley type point sets in the unit square. As a measure for the irregularity of distribution we study the norm of the local discrepancy in Besov spaces with dominating mixed…

Number Theory · Mathematics 2020-05-28 Ralph Kritzinger

In this paper, we study an efficient algorithm for constructing point sets underlying quasi-Monte Carlo integration rules for weighted Korobov classes. The algorithm presented is a reduced fast component-by-component digit-by-digit…

Numerical Analysis · Mathematics 2022-11-23 Peter Kritzer , Onyekachi Osisiogu

In this paper we give explicit constructions of point sets in the $s$ dimensional unit cube yielding quasi-Monte Carlo algorithms which achieve the optimal rate of convergence of the worst-case error for numerically integrating high…

Numerical Analysis · Mathematics 2013-04-02 Josef Dick

The standard Kernel Quadrature method for numerical integration with random point sets (also called Bayesian Monte Carlo) is known to converge in root mean square error at a rate determined by the ratio $s/d$, where $s$ and $d$ encode the…

Machine Learning · Statistics 2017-08-01 Francois-Xavier Briol , Chris J. Oates , Jon Cockayne , Wilson Ye Chen , Mark Girolami

Humans take advantage of real world symmetries for various tasks, yet capturing their superb symmetry perception mechanism with a computational model remains elusive. Motivated by a new study demonstrating the extremely high inter-person…

Computer Vision and Pattern Recognition · Computer Science 2017-08-29 Christopher Funk , Yanxi Liu

Nowadays, we have seen that dual quaternion algorithms are used in 3D coordinate transformation problems due to their advantages. 3D coordinate transformation problem is one of the important problems in geodesy. This transformation problem…

Numerical Analysis · Mathematics 2025-06-12 Sebahattin Bektaş

Incorporating group symmetries into neural networks has been a cornerstone of success in many AI-for-science applications. Diagonal groups of isometries, which describe the invariance under a simultaneous movement of multiple objects, arise…

Machine Learning · Computer Science 2025-08-29 Kevin Han Huang , Ni Zhan , Elif Ertekin , Peter Orbanz , Ryan P. Adams

The discrepancy of a point set quantifies how well the points are distributed, with low-discrepancy point sets demonstrating exceptional uniform distribution properties. Such sets are integral to quasi-Monte Carlo methods, which approximate…

Number Theory · Mathematics 2026-02-16 Josef Dick , Takashi Goda , Gerhard Larcher , Friedrich Pillichshammer , Kosuke Suzuki