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Optimizations of atomic positions belong to the most commonly performed tasks in electronic structure calculations. Many simulations like global minimum searches or characterizations of chemical reactions require performing hundreds or…

Computational Physics · Physics 2015-01-19 Bastian Schaefer , S. Alireza Ghasemi , Shantanu Roy , Stefan Goedecker

Machine learning (ML) problems are often posed as highly nonlinear and nonconvex unconstrained optimization problems. Methods for solving ML problems based on stochastic gradient descent are easily scaled for very large problems but may…

Numerical Analysis · Mathematics 2019-05-24 Jennifer B. Erway , Joshua Griffin , Roummel F. Marcia , Riadh Omheni

In this paper we consider a general matrix factorization model which covers a large class of existing models with many applications in areas such as machine learning and imaging sciences. To solve this possibly nonconvex, nonsmooth and…

Optimization and Control · Mathematics 2018-05-16 Lei Yang , Ting Kei Pong , Xiaojun Chen

The BFGS quasi-Newton methodology, popular for smooth minimization, has also proved surprisingly effective in nonsmooth optimization. Through a variety of simple examples and computational experiments, we explore how the BFGS matrix update…

Optimization and Control · Mathematics 2018-02-20 Jiayi Guo , Adrian S. Lewis

In this paper, we propose an online algorithm to compute matrix factorizations. Proposed algorithm updates the dictionary matrix and associated coefficients using a single observation at each time. The algorithm performs low-rank updates to…

Machine Learning · Statistics 2015-06-29 Ömer Deniz Akyıldız

Global optimization problems with a quasi-concave objective function and linear constraints are studied. We point out that various other classes of global optimization problems can be expressed in this way. We present two algorithms, which…

Optimization and Control · Mathematics 2024-01-26 Daniel Ciripoi , Andreas Löhne , Benjamin Weißing

Motivated by applications arising from large scale optimization and machine learning, we consider stochastic quasi-Newton (SQN) methods for solving unconstrained convex optimization problems. The convergence analysis of the SQN methods,…

Optimization and Control · Mathematics 2019-10-02 Farzad Yousefian , Angelia Nedić , Uday Shanbhag

We develop tractable convex relaxations for rank-constrained quadratic optimization problems over $n \times m$ matrices, a setting for which tractable relaxations are typically only available when the objective or constraints admit spectral…

Optimization and Control · Mathematics 2026-05-22 Ryan Cory-Wright , Jean Pauphilet

Constrained quasiconvex optimization problems appear in many fields, such as economics, engineering, and management science. In particular, fractional programming, which models ratio indicators such as the profit/cost ratio as fractional…

Optimization and Control · Mathematics 2019-09-02 Kazuhiro Hishinuma , Hideaki Iiduka

This paper presents a finite difference quasi-Newton method for the minimization of noisy functions. The method takes advantage of the scalability and power of BFGS updating, and employs an adaptive procedure for choosing the differencing…

Optimization and Control · Mathematics 2019-01-09 Albert S. Berahas , Richard H. Byrd , Jorge Nocedal

Variational formulations of reconstruction in computed tomography have the notable drawback of requiring repeated evaluations of both the forward Radon transform and either its adjoint or an approximate inverse transform which are…

Numerical Analysis · Mathematics 2017-05-23 Richard C. Barnard , Rick Archibald

This paper proposes two proximal Newton-CG methods for convex nonsmooth optimization problems in composite form. The algorithms are based on a a reformulation of the original nonsmooth problem as the unconstrained minimization of a…

Optimization and Control · Mathematics 2014-03-03 Panagiotis Patrinos , Lorenzo Stella , Alberto Bemporad

Bayesian optimization (BO) is a powerful framework for optimizing expensive black-box objectives, yet extending it to graph-structured domains remains challenging due to the discrete and combinatorial nature of graphs. Existing approaches…

Machine Learning · Computer Science 2025-11-12 Shu Hong , Yongsheng Mei , Mahdi Imani , Tian Lan

Various approaches to the numerical representation of the Incomplete Gamma Function F_m(z) for complex arguments z and small integer indexes m are compared with respect to numerical fitness (accuracy and speed). We consider power series,…

Numerical Analysis · Mathematics 2025-10-20 Richard J. Mathar

Direct minimization method on the complex Stiefel manifold in Kohn-Sham density functional theory is formulated to treat both finite and extended systems in a unified manner. This formulation is well-suited for scenarios where…

Computational Physics · Physics 2025-04-02 Kai Luo , Tingguang Wang , Xinguo Ren

The principle of majorization-minimization (MM) provides a general framework for eliciting effective algorithms to solve optimization problems. However, they often suffer from slow convergence, especially in large-scale and high-dimensional…

Optimization and Control · Mathematics 2022-01-20 Medha Agarwal , Jason Xu

Inverse problems span across diverse fields. In medical contexts, computed tomography (CT) plays a crucial role in reconstructing a patient's internal structure, presenting challenges due to artifacts caused by inherently ill-posed inverse…

Image and Video Processing · Electrical Eng. & Systems 2024-04-01 Ishak Ayad , Nicolas Larue , Maï K. Nguyen

In this paper, we propose a new Fully Composite Formulation of convex optimization problems. It includes, as a particular case, the problems with functional constraints, max-type minimization problems, and problems of Composite…

Optimization and Control · Mathematics 2021-03-24 Nikita Doikov , Yurii Nesterov

In this paper, a restricted memory quasi-Newton bundle method for minimizing a locally Lipschitz continuous function over a Riemannian manifold is proposed. The curvature information of the objective function is approximated by applying a…

Optimization and Control · Mathematics 2026-05-04 Chunming Tang , Shajie Xing , Wen Huang , Jinbao Jian

We study the solution of symmetric positive-definite linear systems by way of families of full- and limited-memory methods. Our contributions are threefold. We first derive new relationships between the conjugate-gradient method (CG) and…

Optimization and Control · Mathematics 2026-05-25 Johann Bourhis , Oihan Cordelier , Jean-Pierre Dussault , Oussama Mouhtal , Dominique Orban