27 papers · ranked by Valyu relevance
Gonglin Yuan, Zhou Sheng, Wenjie Liu, Hans A Kestler
In this paper, the Hager and Zhang (HZ) conjugate gradient (CG) method and the modified HZ (MHZ) CG method are presented for large-scale nonsmooth convex minimization. Under some mild conditions, convergent results of the proposed methods are established. Numerical results show that the presented methods can be better…
Yong Li, Gonglin Yuan, Zhou Sheng, Marzio Alfio Pennisi
It is well known that the active set algorithm is very effective for smooth box constrained optimization. Many achievements have been obtained in this field. We extend the active set method to nonsmooth box constrained optimization problems, using the Moreau-Yosida regularization technique to make the objective…
Zengru Cui, Gonglin Yuan, Zhou Sheng, Wenjie Liu + 3 more
'Xiabin Duan' 'Lixiang Li'] This paper proposes a modified BFGS formula using a trust region model for solving nonsmooth convex minimizations by using the Moreau-Yosida regularization (smoothing) approach and a new secant equation with a BFGS update formula. Our algorithm uses the function value information and…
Frank E. Curtis, Lara Zebiane
NonOpt, a C++ software package for minimizing locally Lipschitz objective functions, is presented. The software is intended primarily for minimizing objective functions that are nonconvex and/or nonsmooth. The package has implementations of two main algorithmic strategies: a gradient-sampling and a proximal-bundle…
Daria Ghilli, Karl Kunisch
A general class of nonconvex optimization problems is considered, where the penalty is the composition of a linear operator with a nonsmooth nonconvex mapping, which is concave on the positive real line. The necessary optimality condition of a regularized version of the original problem is solved by means of a…
Radu Ioan Boţ, Mikhail A. Karapetyants
In a Hilbert setting, we study the convergence properties of the second order in time dynamical system combining viscous and Hessian-driven damping with time scaling in relation to the minimization of a nonsmooth and convex function. The system is formulated in terms of the gradient of the Moreau envelope of the…
Yi Xu, Yan Yan, Qihang Lin, Tianbao Yang
In this paper, we develop a novel homotopy smoothing (HOPS) algorithm for solving a family of non-smooth problems that is composed of a non-smooth term with an explicit max-structure and a smooth term or a simple non-smooth term whose proximal mapping is easy to compute. The best known iteration complexity for solving…
Lahcen El Bourkhissi, Ion Necoara, Panagiotis Patrinos, Quoc Tran-Dinh
'Quoc Tran-Dinh'] Authors are encouraged to submit new papers to INFORMS journals by means of a style file template, which includes the journal title. However, use of a template does not certify that the paper has been accepted for publication in the named journal. INFORMS journal templates are for the exclusive…
Nadhir Ben Rached, Shyam Mohan Subbiah Pillai, Raúl Tempone, Yousri Slaoui + 1 more
'Yousri Slaoui' 'Solym Manou-Abi'] Given the increasing global emphasis on sustainable energy usage and the rising energy demands of cellular wireless networks, this work seeks an optimal short-term, continuous-time power-procurement schedule to minimize operating expenditure and the carbon footprint of cellular…
James Renegar
The study of first-order methods has largely dominated research in continuous optimization for the last decade, yet still the range of problems for which "optimal" first-order methods have been developed is surprisingly limited, even though much has been achieved in some areas with high profile, such as compressed…
Milagros Loreto, Thomas Humphries, Chella Raghavan, Kenneth Wu + 1 more
'Sam Kwak'] A new spectral conjugate subgradient method is presented to solve nonsmooth unconstrained optimization problems. The method combines the spectral conjugate gradient method for smooth problems with the spectral subgradient method for nonsmooth problems. We study the effect of two different choices of line…
Arnold Neumaier
This paper presents an algorithm for approximately minimizing a convex function in simple, not necessarily bounded convex domains, assuming only that function values and subgradients are available. No global information about the objective function is needed apart from a strong convexity parameter (which can be put to…
Kabenge Hamiss, Mohammed Alshahrani, Mujahid N. Syed
In this work, we propose two derivative-free methods to address the problem of large-scale nonlinear equations with convex constraints. These algorithms satisfy the sufficient descent condition. The search directions can be considered generalizations of the Modified Optimal Perry conjugate gradient method and the…
Fabian Fröhlich, Peter K. Sorger
Ordinary differential equation (ODE) models are widely used to describe biochemical processes, since they effectively represent mass action kinetics. Optimization-based calibration of ODE models on experimental data can be challenging, even for low-dimensional problems. However, reliable model calibration is a…
Paul Stapor, Fabian Fröehlich, Jan Hasenauer
Parameter estimation methods for ordinary differential equation (ODE) models of biological processes can exploit gradients and Hessians of objective functions to achieve convergence and computational efficiency. However, the computational complexity of established methods to evaluate the Hessian scales linearly with…
Abbas Kazemipour, Behtash Babadi, Min Wu, Kaspar Podgorski + 1 more
We consider the problem of optimizing general convex objective functions with nonnegativity constraints. Using the Karush-Kuhn-Tucker (KKT) conditions for the nonnegativity constraints we will derive fast multiplicative update rules for several problems of interest in signal processing, including non-negative…
Akhil Shajan, Madushanka Manathunga, Andreas Goetz, Kenneth Merz
Based on a series of energy minimizations with starting structures obtained from the Baker test set of 30 organic molecules, a comparison is made between various open source geometry optimization codes that are interfaced with the open-source QUantum Interaction Computational Kernel (QUICK) program for gradient and…
Akhil Shajan, Madushanka Manathunga, Andreas Goetz, Kenneth Merz
Based on a series of energy minimizations with starting structures obtained from the Baker test set of 30 organic molecules, a comparison is made between various open- source geometry optimization codes that are interfaced with the open-source QUantum Interaction Computational Kernel (QUICK) program for gradient and…
AKHIL SHAJAN, Madushanka Manathunga, Andreas Goetz, Kenneth Merz
Based on a series of energy minimizations with starting structures obtained from the Baker test set of 30 organic molecules, a comparison is made between various open-source geometry optimization codes that are interfaced with the open-source QUantum Interaction Computational Kernel (QUICK) program for gradient and…
Eric Hermes, Khachik Sargsyan, Habib Najm, Judit Zádor
We present a new algorithm for the optimization of molecular structures to saddle points on the potential energy surface using a redundant internal coordinate system. This algorithm automates the procedure of defining the internal coordinate system, including the handling of linear bending angles, e.g. through the…
Changin Oh, Kathleen P. Wilkie
We present the Toroidal Search Algorithm (TSA), a novel population-based metaheuristic optimization method inspired by the topology of a torus. Conventional metaheuristics frequently suffer from boundary stagnation, a phenomenon that severely degrades performance in bounded and high-dimensional search spaces. TSA…
Authors not listed
Solving optimization problems, especially for nonlinear and constrained systems, is a challenge. Decades of specialized algorithms have been developed for general and special cases of root finding, minimization (including constraints), for parameter estimation, and mapping connected spaces. These approaches typically…
Nisha Ann Viswan, Alexandre Tribut, Manvel Gasparyan, Ovidiu Radulescu + 1 more
Biological signalling systems are complex, and efforts to build mechanistic models must confront a huge parameter space, indirect and incomplete data, and frequently encounter multiscale and multiphysics phenomena. We present HOSS, a framework for Hierarchical Optimization of Systems Simulations, to address such…
Riley Hickman, Priyansh Parakh, Austin Cheng, Qianxiang Ai + 3 more
Experiment planning algorithms are a required component of autonomous platforms for scientific discovery. Selecting a suitable optimization algorithm for a novel application is an important yet difficult choice a researcher has to make based on past empirical performance on similar tasks. To facilitate the evaluation…
Authors not listed
Experimental design plays an important role in efficiently acquiring informative data for system characterization and deriving robust conclusions under resource limitations. Recent advancements in high-throughput experimentation coupled with machine learning have notably improved experimental procedures. While Bayesian…
Lindsay D. Oliver, Jerrold Jeyachandra, Erin W. Dickie, Colin Hawco + 7 more
Transcranial magnetic stimulation (TMS) treatment response is influenced by individual variability in brain structure and function. Sophisticated, user-friendly approaches, incorporating both established functional magnetic resonance imaging (fMRI) and TMS simulation tools, to identify TMS targets are needed. The…
Riley Hickman, Matteo Aldeghi, Alán Aspuru-Guzik
Model-based optimization strategies, such as Bayesian optimization (BO), have been deployed across the natural sciences in design and discovery campaigns due to their sample efficiency and flexibility. The combination of such strategies with automated laboratory equipment and/or high-performance computing in a…