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The second-order reduced density matrix method (the RDM method) has performed well in determining energies and properties of atomic and molecular systems, achieving coupled-cluster singles and doubles with perturbative triples (CC SD(T))…

Strongly Correlated Electrons · Physics 2012-07-23 James S. M. Anderson , Maho Nakata , Ryo Igarashi , Katsuki Fujisawa , Makoto Yamashita

The cone of positive-semidefinite (PSD) matrices is fundamental in convex optimization, and we extend this notion to tensors, defining PSD tensors, which correspond to separable quantum states. We study the convex optimization problem over…

Optimization and Control · Mathematics 2025-11-10 Liding Xu , Ye-Chao Liu , Sebastian Pokutta

Tensor decompositions have rich applications in statistics and machine learning, and developing efficient, accurate algorithms for the problem has received much attention recently. Here, we present a new method built on Kruskal's uniqueness…

Machine Learning · Computer Science 2017-04-20 Miaoyan Wang , Yun S. Song

A new method for generating fitting grids for least-squares tensor hypercontraction (LS-THC) is presented. This method draws inspiration from the related interpolative separable density fitting (ISDF) technique, but uses only a pivoted…

Chemical Physics · Physics 2025-03-26 Devin A. Matthews

Higher-order tensor decompositions are analogous to the familiar Singular Value Decomposition (SVD), but they transcend the limitations of matrices (second-order tensors). SVD is a powerful tool that has achieved impressive results in…

Machine Learning · Computer Science 2007-11-14 Peter D. Turney

The canonical polyadic decomposition (CPD) is a fundamental tensor decomposition which expresses a tensor as a sum of rank one tensors. In stark contrast to the matrix case, with light assumptions, the CPD of a low rank tensor is…

Numerical Analysis · Mathematics 2022-02-24 Eric Evert , Michiel Vandecappelle , Lieven De Lathauwer

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

High-order methods for convex and nonconvex optimization, particularly $p$th-order Adaptive Regularization Methods (AR$p$), have attracted significant research interest by naturally incorporating high-order Taylor models into adaptive…

Optimization and Control · Mathematics 2025-04-30 Wenqi Zhu , Coralia Cartis

Coupled matrix and tensor factorizations (CMTF) have emerged as an effective data fusion tool to jointly analyze data sets in the form of matrices and higher-order tensors. The PARAFAC2 model has shown to be a promising alternative to the…

Machine Learning · Computer Science 2023-06-05 Carla Schenker , Xiulin Wang , Evrim Acar

We develop a tensor network technique that can solve universal reversible classical computational problems, formulated as vertex models on a square lattice [Nat. Commun. 8, 15303 (2017)]. By encoding the truth table of each vertex…

Statistical Mechanics · Physics 2018-03-09 Zhi-Cheng Yang , Stefanos Kourtis , Claudio Chamon , Eduardo R. Mucciolo , Andrei E. Ruckenstein

CP decomposition (CPD) is prevalent in chemometrics, signal processing, data mining and many more fields. While many algorithms have been proposed to compute the CPD, alternating least squares (ALS) remains one of the most widely used…

Machine Learning · Computer Science 2022-05-12 Navjot Singh , Edgar Solomonik

Using the matrix product state (MPS) representation of tensor train decompositions, in this paper we propose a tensor completion algorithm which alternates over the matrices (tensors) in the MPS representation. This development is motivated…

Numerical Analysis · Computer Science 2016-10-03 Wenqi Wang , Vaneet Aggarwal , Shuchin Aeron

The widespread use of multisensor technology and the emergence of big datasets have created the need to develop tools to reduce, approximate, and classify large and multimodal data such as higher-order tensors. While early approaches…

Numerical Analysis · Computer Science 2018-07-03 Alp Ozdemir , Ali Zare , Mark A. Iwen , Selin Aviyente

We introduce the Subspace Power Method (SPM) for calculating the CP decomposition of low-rank real symmetric tensors. This algorithm calculates one new CP component at a time, alternating between applying the shifted symmetric higher-order…

Numerical Analysis · Mathematics 2025-04-08 Joe Kileel , João M. Pereira

Recently, a tensor-on-tensor (ToT) regression model has been proposed to generalize tensor recovery, encompassing scenarios like scalar-on-tensor regression and tensor-on-vector regression. However, the exponential growth in tensor…

Machine Learning · Computer Science 2025-05-02 Zhen Qin , Zhihui Zhu

The transcorrelated (TC) method performs a similarity transformation on the electronic Schr\"odinger equation via Jastrow factorization of the wave function. This has demonstrated significant advancements in computational electronic…

In this paper we present a comprehensive study on the multi-objective optimization of two-dimensional porous phononic crystals (PnCs) in both square and triangular lattices with the reduced topology symmetry of the unit-cell. The fast…

Materials Science · Physics 2018-11-09 Hao-Wen Dong , Yue-Sheng Wang , Yan-Feng Wang , Chuanzeng Zhang

In this paper we develop two new Tensor Alternating Steepest Descent algorithms for tensor completion in the low-rank $\star_{M}$-product format, whereby we aim to reconstruct an entire low-rank tensor from a small number of measurements…

Numerical Analysis · Mathematics 2025-06-13 Oliver Townsend , Sergey Dolgov , Silvia Gazzola , Misha Kilmer

We present a tensor-network formulation for the strong-coupling expansion of QCD with staggered quarks at nonzero chemical potential, for arbitrary number of dimensions, colors, and flavors. We integrate out the gauge and quark degrees of…

High Energy Physics - Lattice · Physics 2026-04-14 Thomas Samberger , Jacques Bloch , Robert Lohmayer , Tilo Wettig

Tensors or multiarray data are generalizations of matrices. Tensor clustering has become a very important research topic due to the intrinsically rich structures in real-world multiarray datasets. Subspace clustering based on vectorizing…

Computer Vision and Pattern Recognition · Computer Science 2015-04-30 Yanfeng Sun , Junbin Gao , Xia Hong , Bamdev Mishra , Baocai Yin
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