26 papers · ranked by Valyu relevance
João Paulo Papa, Gustavo Henrique de Rosa, Douglas Rodrigues, Xin‐She Yang
'Xin‐She Yang'] Optimization techniques play an important role in several scientic and real-world applications, thus becoming of great interest for the community. As a consequence, a number of open-source libraries are available in the literature, which ends up fostering the research and development of new techniques…
Ryan R. Curtin, Marcus Edel, Rahul Prabhu, Suryoday Basak + 2 more
'Zhihao Lou' 'Conrad Sanderson'] - 1 RelationalAI, Atlanta, USA - 2 Free University of Berlin, Germany - 3 Collabora, Montreal, Canada - 4 Birla Institute of Technology and Science, Pilani, Pilani Campus, India - 5 Department of Computer Science and Engineering, The University of Texas at Arlington, USA - 6 Epsilon…
Ian Briggs, Pavel Panchekha
Standard library implementations of functions like sin and exp optimize for accuracy, not speed, because they are intended for general-purpose use. But applications tolerate inaccuracy from cancellation, rounding error, and singularities—sometimes even very high error—and many application could tolerate error in…
Rahib H. Abiyev, Mustafa Tunay
A novel learning algorithm for solving global numerical optimization problems is proposed. The proposed learning algorithm is intense stochastic search method which is based on evaluation and optimization of a hypercube and is called the hypercube optimization (HO) algorithm. The HO algorithm comprises the…
Ryan R. Curtin, Shikhar Bhardwaj, Marcus Edel, Yannis Mentekidis
The development of the mlpack C++ machine learning library (http://www.mlpack.org/) has required the design and implementation of a flexible, robust optimization system that is able to solve the types of arbitrary optimization problems that may arise all throughout machine learning problems. In this paper, we present…
Mojtaba Ghasemi, Abolfazl Rahimnejad, Ebrahim Akbari, Ravipudi Venkata Rao + 4 more
'Ravipudi Venkata Rao' 'Pavel Trojovský' 'Eva Trojovská' 'Stephen Andrew Gadsden' 'Yilun Shang'] Many important engineering optimization problems require a strong and simple optimization algorithm to achieve the best solutions. In 2020, Rao introduced three non-parametric algorithms, known as Rao algorithms, which have…
Ruoqian Liu, Abhishek Kumar, Zhengzhang Chen, Ankit Agrawal + 2 more
'Veera Sundararaghavan' 'Alok Choudhary'] This paper addresses an important materials engineering question: How can one identify the complete space (or as much of it as possible) of microstructures that are theoretically predicted to yield the desired combination of properties demanded by a selected application? We…
Mohammad Dehghani, Štěpán Hubálovský, Pavel Trojovský, Wojciech Kempa + 1 more
'Wojciech Kempa' 'Iwona Paprocka'] Numerous optimization problems designed in different branches of science and the real world must be solved using appropriate techniques. Population-based optimization algorithms are some of the most important and practical techniques for solving optimization problems. In this paper, a…
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…
M.Z. Naser, Mohammad Khaled al-Bashiti, Arash Teymori Gharah Tapeh, Armin Dadras Eslamlou + 6 more
Optimization Algorithms and Metaheuristics with Mathematical and Visual Descriptions Authors: ['M.Z. Naser' '\u202c\u202c\u202cMohammad Khaled al-Bashiti' 'Arash Teymori Gharah Tapeh' 'Armin Dadras Eslamlou' 'Ahmed Z. Naser' 'Venkatesh Kodur' 'Rami Hawileeh' 'Jamal A. Abdalla' 'Nima Khodadadi' 'Amir H. Gandomi'] In the…
Mohd Nadhir Ab Wahab, Samia Nefti-Meziani, Adham Atyabi, Catalin Buiu
'Catalin Buiu'] Many swarm optimization algorithms have been introduced since the early 60’s, Evolutionary Programming to the most recent, Grey Wolf Optimization. All of these algorithms have demonstrated their potential to solve many optimization problems. This paper provides an in-depth survey of well-known…
Rahul Bhadani
Often in physical science research, we end up with a hard problem of optimizing a function (called objective) that satisfies a range of constraints - linear or non-linear equalities and inequalities. The optimizers usually also have to adhere to the upper and lower bound. We recently worked on a similar problem in…
Iztok Fister Jr., Simon Fong, Janez Brest, Iztok Fister
Nature-inspired algorithms attract many researchers worldwide for solving the hardest optimization problems. One of the newest members of this extensive family is the bat algorithm. To date, many variants of this algorithm have emerged for solving continuous as well as combinatorial problems. One of the more promising…
Péter Friedrich, Michael Vella, Attila I. Gulyás, Tamás F. Freund + 1 more
'Szabolcs Káli'] The construction of biologically relevant neuronal models as well as model-based analysis of experimental data often requires the simultaneous fitting of multiple model parameters, so that the behavior of the model in a certain paradigm matches (as closely as possible) the corresponding output of a…
Authors not listed
With the ever-increasing demand for atomistic structures representative of real-life systems as well as the ad-vent of exascale computers, it has now become necessary and possible to use advanced global optimization (GO) techniques to intelligently sample the potential energy surface (PES). Given the previous studies…
Adam H. Marblestone, Greg Wayne, Konrad P. Kording
Neuroscience has focused on the detailed implementation of computation, studying neural codes, dynamics and circuits. In machine learning, however, artificial neural networks tend to eschew precisely designed codes, dynamics or circuits in favor of brute force optimization of a cost function, often using simple and…
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…
Alejandro F. Villaverde, Fabian Fröhlich, Daniel Weindl, Jan Hasenauer + 1 more
Mechanistic kinetic models usually contain unknown parameters, which need to be estimated by optimizing the fit of the model to experimental data. This task can be computationally challenging due to the presence of local optima and ill-conditioning. While a variety of optimization methods have been suggested to…
Máté Mohácsi, Márk Patrik Török, Sára Sáray, Luca Tar + 1 more
Finding optimal parameters for detailed neuronal models is a ubiquitous challenge in neuroscientific research. Recently, manual model tuning has been replaced by automated parameter search using a variety of different tools and methods. However, using most of these software tools and choosing the most appropriate…
Waqar Younas, Gauhar Ali, Naveed Ahmad, Qamar Abbas + 6 more
'Muhammad Talha Masood' 'Asim Munir' 'Mohammed ElAffendi' 'Shah Nazir' 'Habib Ullah Khan' 'Iván García-Magariño'] Metaheuristic algorithms are effectively used in searching some optical solution space. for optical solution. It is basically the type of local search generalization that can provide useful solutions for…
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…
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…
Philippe A. Robert, Henrik Jönsson, Michael Meyer-Hermann
The modelling of biological systems often consists into differential equation models that need to be fitted to experimental data. During this complex process, the practical experience of the biologist and the theoretical abstraction of the modeller require back-and-forth refinements of the model, design of new…
Authors not listed
Developing a transferable classical force field (FF) has historically been a lengthy, expert-informed process. In this work, we integrate optimization, machine learning, and data science techniques to accelerate the systematic design and parameterization of transferable FF models. As a demonstration, we create…
Yifan Wu, Aron Walsh, Alex Ganose
What is the minimum number of experiments, or calculations, required to find an optimal solution? Relevant chemical problems range from identifying a compound with target functionality within a given phase space to controlling materials synthesis and device fabrication conditions. A common feature in this application…
Jesse A Sharp, Kevin Burrage, Matthew J Simpson
Optimal control theory provides insight into complex resource allocation decisions. The forward-backward sweep method (FBSM) is an iterative technique commonly implemented to solve two-point boundary value problems (TPBVPs) arising from the application of Pontryagin’s Maximum Principle (PMP) in optimal control. In this…