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Density Functional Theory (DFT) is widely used for atomistic simulations. However, its reach stays limited due to several limitations such as lack of accurate exchange-correlation functional, requirement of costly O(N 3) diagonalization…

Quantum Physics · Physics 2026-05-18 Namrata Manglani , Samrit Kumar Maity , Shashank Sharma , Soham Phulare , Sanjay Wandhekar

Quantum normalizer circuits were recently introduced as generalizations of Clifford circuits [arXiv:1201.4867]: a normalizer circuit over a finite Abelian group $G$ is composed of the quantum Fourier transform (QFT) over G, together with…

Quantum Physics · Physics 2015-10-09 Juan Bermejo-Vega , Maarten Van den Nest

In this work, quantum transformers are designed and analysed in detail by extending the state-of-the-art classical transformer neural network architectures known to be very performant in natural language processing and image analysis.…

In this paper we review basic and emerging models and associated algorithms for large-scale tensor networks, especially Tensor Train (TT) decompositions using novel mathematical and graphical representations. We discus the concept of…

Numerical Analysis · Computer Science 2014-08-25 Andrzej Cichocki

We present a new algorithm for reducing an arbitrary unitary matrix U into a sequence of elementary operations (operations such as controlled-nots and qubit rotations). Such a sequence of operations can be used to manipulate an array of…

Quantum Physics · Physics 2007-05-23 Robert R. Tucci

We introduce the Graded Transformer framework, a new class of sequence models that embeds algebraic inductive biases through grading transformations on vector spaces. Extending Graded Neural Networks (GNNs), we propose two architectures:…

Machine Learning · Computer Science 2025-09-03 Tony Shaska

The general linear model is a universally accepted method to conduct and test multiple linear regression models. Using this model one has the ability to simultaneously regress covariates among different groups of data. Moreover, there are…

Methodology · Statistics 2024-10-15 Gavin T. Kress

The quantum Fourier transform (QFT) plays an important role in many known quantum algorithms such as Shor's algorithm for prime factorisation. In this paper we show that the QFT algorithm can, on a restricted set of input states, be…

Quantum Physics · Physics 2020-01-27 Alastair A. Abbott

We present the Generalized Borel Transform (GBT). This new approach allows one to obtain approximate solutions of Laplace/Mellin transform valid in both, perturbative and non perturbative regimes. We compare the results provided by the GBT…

High Energy Physics - Theory · Physics 2016-08-16 L. N. Epele , H. Fanchiotti , C. A. García Canal , M. Marucho

The quadrature-based balanced truncation (QuadBT) framework of arXiv:2104.01006 is a non-intrusive reformulation of balanced truncation (BT), a classical projection-based model-order reduction technique for linear systems. QuadBT is…

Numerical Analysis · Mathematics 2025-08-26 Sean Reiter , Ion Victor Gosea , Serkan Gugercin

We propose a new tensor network renormalization group (TNR) scheme based on global optimization and introduce a new method for constructing the finite-temperature density matrix of two-dimensional quantum systems. Combining these two into a…

Strongly Correlated Electrons · Physics 2026-05-13 Atsushi Ueda , Sander De Meyer , Adwait Naravane , Victor Vanthilt , Frank Verstraete

We present a framework using the Quantized Tensor Train (QTT) decomposition to accurately and efficiently solve volume and boundary integral equations in three dimensions. We describe how the QTT decomposition can be used as a hierarchical…

Numerical Analysis · Mathematics 2016-10-04 Eduardo Corona , Abtin Rahimian , Denis Zorin

We apply numerical optimization and linear algebra algorithms for classical computers to the problem of automatically synthesizing algorithms for quantum computers. Using our framework, we apply several common techniques from these…

Numerical Analysis · Mathematics 2025-09-16 Yuxin Huang , Benjamin E. Grossman-Ponemon , David A. B. Hyde

Density-functional theory (DFT) has revolutionized computer simulations in chemistry and material science. A faithful implementation of the theory requires self-consistent calculations. However, this effort involves repeatedly diagonalizing…

Quantum Physics · Physics 2023-07-17 Taehee Ko , Xiantao Li , Chunhao Wang

We present an asymptotically improved algorithm for implementing the Quantum Fourier Transform (QFT) in both the exact and approximate settings. Historically, the approximate QFT has been implemented in $\Theta(n \log n)$ gates, and the…

Quantum Physics · Physics 2025-02-11 Ronit Shah

Accelerating the convergence of second-order optimization, particularly Newton-type methods, remains a pivotal challenge in algorithmic research. In this paper, we extend previous work on the \textbf{Quadratic Gradient (QG)} and rigorously…

Optimization and Control · Mathematics 2026-04-01 John Chiang

Quantum-inspired algorithms can deliver substantial speedups over classical state-of-the-art methods by executing quantum algorithms with tensor networks on conventional hardware. Unlike circuit models restricted to unitary gates, tensor…

We consider the problem of computing the Walsh-Hadamard Transform (WHT) of some $N$-length input vector in the presence of noise, where the $N$-point Walsh spectrum is $K$-sparse with $K = {O}(N^{\delta})$ scaling sub-linearly in the input…

Information Theory · Computer Science 2015-08-27 Xiao Li , Joseph K. Bradley , Sameer Pawar , Kannan Ramchandran

Quantum computing offers the potential for computational abilities that can go beyond classical machines. However, they are still limited by several challenges such as noise, decoherence, and gate errors. As a result, efficient classical…

Quantum Physics · Physics 2025-09-01 Aditya Dubey , Zeki Zeybek , Peter Schmelcher

This paper introduces a design method for densergraph-frequency graph Fourier frames (DGFFs) to enhance graph signal processing and analysis. The graph Fourier transform (GFT) enables us to analyze graph signals in the graph spectral domain…

Signal Processing · Electrical Eng. & Systems 2025-03-18 Kaito Nitani , Seisuke Kyochi