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We present a GPU-accelerated version of the real-space SPARC electronic structure code for performing hybrid functional calculations in generalized Kohn-Sham density functional theory. In particular, we develop a batch variant of the…

We study semidefinite programming (SDP) relaxations for the NP-hard problem of globally optimizing a quadratic function over the Stiefel manifold. We introduce a strengthened relaxation based on two recent ideas in the literature: (i) a…

While convolutional neural networks (CNNs) have become the de facto standard for most image processing and computer vision applications, their deployment on edge devices remains challenging. Tensor decomposition methods provide a means of…

Tensor decomposition has proven to be a strong tool in various 3D image processing tasks such as denoising and super-resolution. In this context, we recently proposed a canonical polyadic decomposition (CPD) based algorithm for single image…

The Stackelberg prediction game (SPG) has been extensively used to model the interactions between the learner and data provider in the training process of various machine learning algorithms. Particularly, SPGs played prominent roles in…

The Randomized Singular Value Decomposition (RSVD) is a widely used algorithm for efficiently computing low-rank approximations of large matrices, without the need to construct a full-blown SVD. Of interest, of course, is the approximation…

We introduce and compare new compression approaches to obtain regularized solutions of large linear systems which are commonly encountered in large scale inverse problems. We first describe how to approximate matrix vector operations with a…

Building on the blueprint from Goemans and Williamson (1995) for the Max-Cut problem, we construct a polynomial-time approximation algorithm for orthogonally constrained quadratic optimization problems. First, we derive a semidefinite…

Variance reduced stochastic gradient (SGD) methods converge significantly faster than the vanilla SGD counterpart. However, these methods are not very practical on large scale problems, as they either i) require frequent passes over the…

Total Generalized Variation (TGV) has recently been introduced as penalty functional for modelling images with edges as well as smooth variations. It can be interpreted as a "sparse" penalization of optimal balancing from the first up to…

An efficient, accurate and reliable approximation of a matrix by one of lower rank is a fundamental task in numerical linear algebra and signal processing applications. In this paper, we introduce a new matrix decomposition approach termed…

In this thesis, we offer a thorough investigation of different regularisation terms used in variational imaging problems, together with detailed optimisation processes of these problems. We begin by studying smooth problems and partially…

This paper addresses the optimization problem of minimizing non-convex continuous functions, which is relevant in the context of high-dimensional machine learning applications characterized by over-parametrization. We analyze a randomized…

We study Tikhonov regularization for solving ill--posed operator equations where the solutions are functions defined on surfaces. One contribution of this paper is an error analysis of Tikhonov regularization which takes into account…

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…

This work focuses on the iterative solution of sequences of KKT linear systems arising in interior point methods applied to large convex quadratic programming problems. This task is the computational core of the interior point procedure and…

In this paper, we present algorithms and implementations for the end-to-end GPU acceleration of matrix-free low-order-refined preconditioning of high-order finite element problems. The methods described here allow for the construction of…

Orthonormality is the foundation of matrix decomposition. For example, Singular Value Decomposition (SVD) implements the compression by factoring a matrix with orthonormal parts and is pervasively utilized in various fields. Orthonormality,…

We propose an alternative implementation of preconditioning techniques for the solution of non-linear problems. Within the framework of Newton-Krylov methods, preconditioning techniques are needed to improve the performance of the solvers.…

The Strong Constraint 4D Variational (SC-4DVAR) data assimilation method is widely used in climate and weather applications. SC-4DVAR involves solving a minimization problem to compute the maximum a posteriori estimate, which we tackle…