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Molecular docking is a critical computational method in drug discovery used to predict the binding conformation and orientation of a ligand within a protein's binding site. Mapping this challenge onto a graph-based problem, specifically the…

Quantum Physics · Physics 2026-04-27 Mathieu Garrigues , Victor Onofre , Wesley Coelho , S. Acheche

Quantum annealing is a heuristic algorithm for solving combinatorial optimization problems, and D-Wave Systems Inc. has developed hardware for implementing this algorithm. The current version of the D-Wave quantum annealer can solve…

Quantum Physics · Physics 2022-11-09 Shuntaro Okada , Masayuki Ohzeki , Shinichiro Taguchi

To overcome the physical limitations of scaling monolithic quantum computers, distributed quantum computing (DQC) interconnects multiple smaller-scale quantum processing units (QPUs) to form a quantum network. However, this approach…

Nonnegative matrix factorization (NMF) is a powerful tool for data mining. However, the emergence of `big data' has severely challenged our ability to compute this fundamental decomposition using deterministic algorithms. This paper…

Machine Learning · Statistics 2018-05-02 N. Benjamin Erichson , Ariana Mendible , Sophie Wihlborn , J. Nathan Kutz

We present quantum algorithms to efficiently perform discriminant analysis for dimensionality reduction and classification over an exponentially large input data set. Compared with the best-known classical algorithms, the quantum algorithms…

Quantum Physics · Physics 2016-07-12 Iris Cong , Luming Duan

Linear systems with a tensor product structure arise naturally when considering the discretization of Laplace type differential equations or, more generally, multidimensional operators with separable coefficients. In this work, we focus on…

Numerical Analysis · Mathematics 2023-11-03 Stefano Massei , Leonardo Robol

In this work, we explore graph partitioning (GP) using quantum annealing on the D-Wave 2X machine. Motivated by a recently proposed graph-based electronic structure theory applied to quantum molecular dynamics (QMD) simulations, graph…

Quantum Physics · Physics 2017-05-10 Hayato Ushijima-Mwesigwa , Christian F. A. Negre , Susan M. Mniszewski

In this paper, two accelerated divide-and-conquer algorithms are proposed for the symmetric tridiagonal eigenvalue problem, which cost $O(N^2r)$ {flops} in the worst case, where $N$ is the dimension of the matrix and $r$ is a modest number…

Numerical Analysis · Computer Science 2015-10-16 Shengguo Li , Xiangke Liao , Jie Liu , Hao Jiang

Quantum bits have technological imperfections. Additionally, the capacity of a component that can be implemented feasibly is limited. Therefore, distributed quantum computation is required to scale up quantum computers. This dissertation…

Quantum Physics · Physics 2017-04-11 Shota Nagayama

Nonnegative matrix factorization (NMF) is a popular method used to reduce dimensionality in data sets whose elements are nonnegative. It does so by decomposing the data set of interest, $\mathbf{X}$, into two lower rank nonnegative matrices…

Methodology · Statistics 2021-07-05 Phillip Shreeves , Jeffrey L. Andrews , Xinchen Deng , Ramie Ali-Adeeb , Andrew Jirasek

We develop a unified and systematic framework for performing online nonnegative matrix factorization under a wide variety of important divergences. The online nature of our algorithm makes it particularly amenable to large-scale data. We…

Machine Learning · Statistics 2016-08-17 Renbo Zhao , Vincent Y. F. Tan , Huan Xu

We present a special-purpose algorithm for factoring semiprimes $N = pq$ in which one prime factor satisfies $p \approx c\,(a/b)^n$ for positive integers $a, b, c, n$ with $a > b$ and $\gcd(a,b) = 1$. Given the correct parameters $(a, b)$,…

Number Theory · Mathematics 2026-05-12 Sam Blake

Tensor decomposition of convolutional and fully-connected layers is an effective way to reduce parameters and FLOP in neural networks. Due to memory and power consumption limitations of mobile or embedded devices, the quantization step is…

Machine Learning · Computer Science 2023-08-10 Daria Cherniuk , Stanislav Abukhovich , Anh-Huy Phan , Ivan Oseledets , Andrzej Cichocki , Julia Gusak

We consider the problem of developing interpretable and computationally efficient matrix decomposition methods for matrices whose entries have bounded support. Such matrices are found in large-scale DNA methylation studies and many other…

Machine Learning · Computer Science 2024-10-25 Anjali N. Albert , Patrick Flaherty , Aaron Schein

Given a symmetric nonnegative matrix $A$, symmetric nonnegative matrix factorization (symNMF) is the problem of finding a nonnegative matrix $H$, usually with much fewer columns than $A$, such that $A \approx HH^T$. SymNMF can be used for…

Numerical Analysis · Computer Science 2016-10-07 Arnaud Vandaele , Nicolas Gillis , Qi Lei , Kai Zhong , Inderjit Dhillon

Recently, a family of tractable NMF algorithms have been proposed under the assumption that the data matrix satisfies a separability condition Donoho & Stodden (2003); Arora et al. (2012). Geometrically, this condition reformulates the NMF…

Machine Learning · Statistics 2013-12-30 Abhishek Kumar , Vikas Sindhwani

Quantum Approximate Optimization Algorithm (QAOA) is a promising hybrid quantum-classical algorithm for solving combinatorial optimization problems. However, it cannot overcome qubit limitation for large-scale problems. Furthermore, the…

Emerging Technologies · Computer Science 2021-03-01 Junde Li , Mahabubul Alam , Swaroop Ghosh

We propose quantum algorithms, purely quantum in nature, for calculating the determinant and inverse of an $(N-1)\times (N-1)$ matrix (depth is $O(N^2\log N)$) which is a simple modification of the algorithm for calculating the determinant…

Quantum Physics · Physics 2025-06-02 Alexander I. Zenchuk , Georgii A. Bochkin , Wentao Qi , Asutosh Kumar , Junde Wu

Divide and Conquer (DC) is conceptually well suited to high-dimensional optimization by decomposing a problem into multiple small-scale sub-problems. However, appealing performance can be seldom observed when the sub-problems are…

Artificial Intelligence · Computer Science 2018-07-12 Peng Yang , Ke Tang , Xin Yao

We present a new probabilistic model to address semi-nonnegative matrix factorization (SNMF), called Skellam-SNMF. It is a hierarchical generative model consisting of prior components, Skellam-distributed hidden variables and observed data.…

Machine Learning · Computer Science 2021-07-08 Benoit Fuentes , Gaël Richard
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