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Traditionally, finite differences and finite element methods have been by many regarded as the basic tools for obtaining numerical solutions in a variety of quantum mechanical problems emerging in atomic, nuclear and particle physics,…

Quantum Physics · Physics 2008-11-26 A. Deloff

Recently, the numerical solution of multi-frequency, highly-oscillatory Hamiltonian problems has been attacked by using Hamiltonian Boundary Value Methods (HBVMs) as spectral methods in time. When the problem derives from the space semi-…

Numerical Analysis · Mathematics 2018-08-14 Luigi Brugnano , Felice Iavernaro , Juan I. Montijano , Luis Ràndez

A key challenge for molecular dynamics simulations is efficient exploration of free energy landscapes over relevant collective variables (CV). Common methods for enhancing sampling become prohibitively inefficient beyond only a few CVs; in…

Chemical Physics · Physics 2026-05-29 Nils E. Strand , Siyao Yang , Yuehaw Khoo , Aaron R. Dinner

Solving the Boltzmann-BGK equation with traditional numerical methods suffers from high computational and memory costs due to the curse of dimensionality. In this paper, we propose a novel accuracy-preserved tensor-train (APTT) method to…

Numerical Analysis · Mathematics 2024-05-22 Zhitao Zhu , Chuanfu Xiao , Kejun Tang , Jizu Huang , Chao Yang

We propose a numerical method for solving high dimensional fully nonlinear partial differential equations (PDEs). Our algorithm estimates simultaneously by backward time induction the solution and its gradient by multi-layer neural…

Optimization and Control · Mathematics 2021-01-27 Huyen Pham , Xavier Warin , Maximilien Germain

The tensor-train (TT) decomposition expresses a tensor in a data-sparse format used in molecular simulations, high-order correlation functions, and optimization. In this paper, we propose four parallelizable algorithms that compute the TT…

Numerical Analysis · Mathematics 2021-11-23 Tianyi Shi , Maximilian Ruth , Alex Townsend

This work develops a numerical solver based on the combination of isogeometric analysis (IGA) and the tensor train (TT) decomposition for the approximation of partial differential equations (PDEs) on parameter-dependent geometries. First,…

Numerical Analysis · Mathematics 2022-10-05 Ion Gabriel Ion , Dimitrios Loukrezis , Herbert De Gersem

We develop a numerical framework, the Deep Tangent Bundle (DTB) method, that is suitable for computing solutions of evolutionary partial differential equations (PDEs) in high dimensions. The main idea is to use the tangent bundle of an…

Numerical Analysis · Mathematics 2025-09-03 Hao Wu , Haomin Zhou

This work presents a comparative study of new and existing optimization and diagonalization methods for solving time-independent partial differential equations (PDEs) using matrix product states (MPS) in the quantized tensor-train formalism…

Quantum Physics · Physics 2026-02-17 Paula García-Molina , Luca Tagliacozzo , Juan José García-Ripoll

As the number of processor cores on supercomputers becomes larger and larger, algorithms with high degree of parallelism attract more attention. In this work, we propose a novel space-time coupled algorithm for solving an inverse problem…

Numerical Analysis · Computer Science 2015-08-26 Xiaomao Deng , Xiao-chuan Cai , Jun Zou

The tensor train (TT) format enjoys appealing advantages in handling structural high-order tensors. The recent decade has witnessed the wide applications of TT-format tensors from diverse disciplines, among which tensor completion has drawn…

Machine Learning · Computer Science 2022-03-22 Jian-Feng Cai , Jingyang Li , Dong Xia

In this paper, we propose a network model, the multiclass classification-based reduced order model (MC-ROM), for solving time-dependent parametric partial differential equations (PPDEs). This work is inspired by the observation of applying…

Numerical Analysis · Mathematics 2022-10-11 Chen Cui , Kai Jiang , Shi Shu

Low-rank tensor completion aims to recover a tensor from partially observed entries, and it is widely applicable in fields such as quantum computing and image processing. Due to the significant advantages of the tensor train (TT) format in…

Machine Learning · Computer Science 2025-01-24 Fengmiao Bian , Jian-Feng Cai , Xiaoqun Zhang , Yuanwei Zhang

In this work, we introduce new integral formulations based on the convolution quadrature method for the time-domain modeling of perfectly electrically conducting scatterers that overcome some of the most critical issues of the standard…

Numerical Analysis · Mathematics 2023-11-28 Pierrick Cordel , Alexandre Dély , Adrien Merlini , Francesco P. Andriulli

As a phase space language for quantum mechanics, the Wigner function approach bears a close analogy to classical mechanics and has been drawing growing attention, especially in simulating quantum many-body systems. However, deterministic…

Computational Physics · Physics 2016-11-30 Yunfeng Xiong , Zhenzhu Chen , Sihong Shao

This work proposes a novel tensor train random projection (TTRP) method for dimension reduction, where pairwise distances can be approximately preserved. Our TTRP is systematically constructed through a tensor train (TT) representation with…

Machine Learning · Statistics 2021-10-22 Yani Feng , Kejun Tang , Lianxing He , Pingqiang Zhou , Qifeng Liao

On the forefront of scientific computing, Deep Learning (DL), i.e., machine learning with Deep Neural Networks (DNNs), has emerged a powerful new tool for solving Partial Differential Equations (PDEs). It has been observed that DNNs are…

Machine Learning · Computer Science 2025-11-12 Simone Brugiapaglia , Nick Dexter , Samir Karam , Weiqi Wang

Variational formulations of time-dependent PDEs in space and time yield $(d+1)$-dimensional problems to be solved numerically. This increases the number of unknowns as well as the storage amount. On the other hand, this approach enables…

Numerical Analysis · Mathematics 2019-12-24 Julian Henning , Davide Palitta , Valeria Simoncini , Karsten Urban

This paper presents a numerical framework for the low-rank approximation of the solution to three-dimensional parabolic problems. The key contribution of this work is the tensorization process based on a tensor-train reformulation of the…

Numerical Analysis · Mathematics 2025-09-15 Gianmarco Manzini , Tommaso Sorgente

An increasing amount of collected data are high-dimensional multi-way arrays (tensors), and it is crucial for efficient learning algorithms to exploit this tensorial structure as much as possible. The ever-present curse of dimensionality…

Machine Learning · Computer Science 2021-08-04 Kirandeep Kour , Sergey Dolgov , Martin Stoll , Peter Benner