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In this short paper, the authors report a new computational approach in the context of Density Functional Theory (DFT). It is shown how it is possible to speed up the self-consistent cycle (iteration) characterizing one of the most…

Computational Physics · Physics 2015-05-19 Edoardo Di Napoli , Paolo Bientinesi

We present a differentiation framework for plane-wave density-functional theory (DFT) that combines the strengths of forward-mode algorithmic differentiation (AD) and density-functional perturbation theory (DFPT). In the resulting AD-DFPT…

Materials Science · Physics 2025-12-23 Niklas Frederik Schmitz , Bruno Ploumhans , Michael F. Herbst

While FPGAs have been used extensively as hardware accelerators in industrial computation, no theoretical model of computation has been devised for the study of FPGA-based accelerators. In this paper, we present a theoretical model of…

Data Structures and Algorithms · Computer Science 2018-11-19 Martin Hora , Václav Končický , Jakub Tětek

The technologically-relevant task of feature extraction from data performed in deep-learning systems is routinely accomplished as repeated fast Fourier transforms (FFT) electronically in prevalent domain-specific architectures such as in…

In this paper we address the rotation synchronization problem, where the objective is to recover absolute rotations starting from pairwise ones, where the unknowns and the measures are represented as nodes and edges of a graph,…

Computer Vision and Pattern Recognition · Computer Science 2023-05-10 Gk Tejus , Giacomo Zara , Paolo Rota , Andrea Fusiello , Elisa Ricci , Federica Arrigoni

Nonnegative Matrix Factorization (NMF) is a widely used technique for data representation. Inspired by the expressive power of deep learning, several NMF variants equipped with deep architectures have been proposed. However, these methods…

Machine Learning · Computer Science 2017-11-21 Yuning Qiu , Guoxu Zhou , Kan Xie

In this work, we introduce a definition of the Discrete Fourier Transform (DFT) on Euclidean lattices in $\R^n$, that generalizes the $n$-th fold DFT of the integer lattice $\Z^n$ to arbitrary lattices. This definition is not applicable for…

Quantum Physics · Physics 2017-04-04 Lior Eldar , Peter Shor

In many reinforcement learning tasks, the agent has to learn to interact with many objects of different types and generalize to unseen combinations and numbers of objects. Often a task is a composition of previously learned tasks (e.g.…

Machine Learning · Computer Science 2023-07-19 Fan Feng , Sara Magliacane

Development of modern integrated circuit technologies makes it feasible to develop cheaper, faster and smaller special purpose signal processing function circuits. Digital Signal processing functions are generally implemented either on…

Hardware Architecture · Computer Science 2013-06-04 Amitabha Sinha , Mitrava Sarkar , Soumojit Acharyya , Suranjan Chakraborty

Matrix completion is fundamental for predicting missing data with a wide range of applications in personalized healthcare, e-commerce, recommendation systems, and social network analysis. Traditional matrix completion approaches typically…

Machine Learning · Computer Science 2025-03-19 Patrick Hytla , Tran T. A. Nghia , Duy Nhat Phan , Andrew Rice

The fast Fourier transform (FFT) is one of the most successful numerical algorithms of the 20th century and has found numerous applications in many branches of computational science and engineering. The FFT algorithm can be derived from a…

Numerical Analysis · Mathematics 2021-02-10 Daan Camps , Roel Van Beeumen , Chao Yang

General Matrix Multiplication (GEMM) has a wide range of applications in scientific simulation and artificial intelligence. Although traditional libraries can achieve high performance on large regular-shaped GEMMs, they often behave not…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-08-12 Shangfei Yin , Qinglin Wang , Ruochen Hao , Tianyang Zhou , Songzhu Mei , Jie Liu

In this paper, we propose an architecture of a novel adaptive fault-tolerant approximate multiplier tailored for ASIC-based DNN accelerators.

Traditional NMF-based signal decomposition relies on the factorization of spectral data, which is typically computed by means of short-time frequency transform. In this paper we propose to relax the choice of a pre-fixed transform and learn…

Machine Learning · Computer Science 2017-12-18 Dylan Fagot , Cédric Févotte , Herwig Wendt

Recent trends in business and technology (e.g., machine learning, social network analysis) benefit from storing and processing growing amounts of graph-structured data in databases and data science platforms. FPGAs as accelerators for graph…

Databases · Computer Science 2021-02-09 Jonas Dann , Daniel Ritter , Holger Fröning

This paper deals with circulant matrices. It is shown that a circulant matrix can be multiplied by a vector in time O(n log(n)) in a ring with roots of unity without making use of an FFT algorithm. With our algorithm we achieve a speedup of…

Data Structures and Algorithms · Computer Science 2021-03-05 Andreas Rosowski

Most of the FFT methods available for homogenization of the mechanical response use the strain/deformation gradient as unknown, imposing their compatibility using Green's functions or projection operators. This implies the allocation of…

Computational Engineering, Finance, and Science · Computer Science 2019-08-27 Sergio Lucarini , Javier Segurado

The purpose of this text is to provide an accessible introduction to a set of recently developed algorithms for factorizing matrices. These new algorithms attain high practical speed by reducing the dimensionality of intermediate…

Numerical Analysis · Mathematics 2019-02-08 Per-Gunnar Martinsson

Vector-Matrix Multiplication (VMM) is the fundamental and frequently required computation in inference of Neural Networks (NN). Due to the large data movement required during inference, VMM can benefit greatly from in-memory computing.…

Hardware Architecture · Computer Science 2025-10-03 Felix Zeller , John Reuben , Dietmar Fey

We study implicit regularization when optimizing an underdetermined quadratic objective over a matrix $X$ with gradient descent on a factorization of $X$. We conjecture and provide empirical and theoretical evidence that with small enough…

Machine Learning · Statistics 2017-05-26 Suriya Gunasekar , Blake Woodworth , Srinadh Bhojanapalli , Behnam Neyshabur , Nathan Srebro
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