23 papers · ranked by Valyu relevance
Huayuan Sun
—The choices of hyperparameters have critical effects on the performance of machine learning models. In this paper, we present a general framework that is able to construct an adaptive optimizer, which automatically adjust the appropriate algorithm and parameters in the process of optimization. Examining the method of…
Nishant Gadde
Gaussian Process (GP) models have also become extremely useful for optimization under uncertainty algorithms, especially where the objective functions are costly to compute. Yet, the more classical methods usually adopt strategies that, in certain circumstances, might be effective but not flexible to be applied to a…
Bestoun S. Ahmed
—The rapidly changing landscapes of modern optimization problems require algorithms that can be adapted in real-time. This paper introduces an Adaptive Metaheuristic Framework (AMF) designed for dynamic environments. It is capable of intelligently adapting to changes in the problem parameters. The AMF combines a…
Yichuan Shao, Shiqian Weng, Haijing Sun, Qian Gao + 5 more
In this work, an enhanced variant of the Adam optimizer, termed BDS-Adam, is proposed to address two critical limitations of the original Adam algorithm: biased gradient estimation and training instability during early optimization. To overcome these issues, a dual-path framework is adopted. In the first path, a…
Xiaojie Tang, Chengfen Jia, Pengju Qu, Qian Zhang + 2 more
Addressing the challenges of high dimensionality, strong nonlinearity, and multiple constraints in multi-UAV cooperative path planning, this paper proposes a Behavior-Adaptive Aquila Optimizer (EAO) achieved by enhancing Aquila Optimizer (AO). EAO constructs a multi-strategy cooperative framework that integrates a…
Genliang Li, Yaxin Cui, Jingyu Su, Ghanshyam G. Tejani
Feature Selection (FS) is a crucial component of machine learning and data mining. Its goal is to eliminate redundant and irrelevant features from a datasets, thereby enhancing the classifier's performance. The Grey Wolf Optimizer (GWO) is a well-known meta-heuristic algorithm rooted in swarm intelligence. It is widely…
Raoul Heese, Michael Bortz
—We present a novel adaptive optimization algorithm for black-box multi-objective optimization problems with binary constraints on the foundation of Bayes optimization. Our method is based on probabilistic regression and classification models, which act as a surrogate for the optimization goals and allow us to suggest…
Mohamed Elhosseny, Mahmoud Abdel-Salam, Ibrahim M. El-Hasnony
The Crayfish Optimization Algorithm (COA) is a recent powerful algorithm that is sometimes plagued by poor convergence speed and a tendency to rapidly converge to the local optimum. This study introduces a variation of the COA called Adaptive Dynamic COA with a Locally enhanced escape operator (AD-COA-L) to tackle…
Sina Dabiri, Eric R. Cole, Robert E. Gross
Brain stimulation has become an important treatment option for a variety of neurological and psychiatric diseases. A key challenge in improving brain stimulation is selecting the optimal set of stimulation parameters for each patient, as parameter spaces are too large for brute-force search and their induced effects…
Shuxin Wang, Yejun Zheng, Li Cao, Mengji Xiong + 2 more
'Xuewen Xia'] In this study, a brand-new algorithm called the Comprehensive Adaptive Enterprise Development Optimizer (CAED) is proposed to overcome the drawbacks of the Enterprise Development (ED) algorithm in complex optimization tasks. In particular, it aims to tackle the problems of slow convergence and low…
Kazunori D Yamada
In the deep learning era, a gradient descent method is the most common method to optimize parameters of neural networks. Among various mathematical optimization methods, a gradient descent method is the most naive method. Although controlling a learning rate of the method is necessary for quick convergence, the…
Mandana Kariminejad, T. David, Caitríona M. Ryan, Christopher O’Hara + 2 more
Injection Moulding Process via a Bayesian Adaptive Design of Experiment Approach Authors: ['Mandana Kariminejad' 'T. David' 'Caitríona M. Ryan' 'Christopher O’Hara' 'Albert Weinert' 'Marion McAfee'] Minimising cycle time without inducing quality defects is a major challenge in the injection moulding (IM). Design of…
Guanjun Lin, Mahmoud Abdel-salam, Gang Hu, Heming Jia + 1 more
'Yongquan Zhou'] The Parrot Optimization Algorithm (PO) represents a contemporary nature-inspired metaheuristic technique formulated through observations of Pyrrhura Molinae parrot behavioral patterns. PO exhibits effective optimization capabilities by achieving equilibrium between exploration and exploitation phases…
Sumedh S Nagrale, Alik S Widge
The use of Deep Brain Stimulation (DBS) on the ventral capsule/ventral striatum (VCVS) has therapeutic potential for patients with refractory psychiatric disorders, but clinical success is impeded by the need for a time-consuming and trial-and-error process when setting the parameters, this process relying on…
Authors not listed
For applications in gas sensing, purification, and capture, we often wish to search a large set of metal-organic frameworks (MOFs) for the top-K in terms of their Henry coefficient of an adsorbate. A molecular simulation to predict the Henry coefficient of a MOF constitutes a Monte Carlo integration where each sample…
Finlay Clark, Graeme Robb, Daniel Cole, Julien Michel
Alchemical absolute binding free energy (ABFE) calculations have substantial potential in drug discovery, but are often prohibitively computationally expensive. To unlock their potential, efficient automated ABFE workflows are required to reduce both computational cost and human intervention. We present a…
Authors not listed
Finding the most stable adsorption geometry of a flexible molecule on a catalytic surface remains a key challenge due to the high dimensionality and ruggedness of the potential energy surface. We present a Gradient-Enhanced Genetic Algorithm (GE-GA) for the global optimization of adsorbate–surface configurations…
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…
Andre KY Low, Flore Mekki-Berrada, Aleksandr Ostudin, Jiaxun Xie + 7 more
The development of automated high-throughput experimental platforms has enabled fast sampling of high-dimensional decision spaces. To reach target properties efficiently, these platforms are increasingly paired with intelligent experimental design. When solving optimization problems, Bayesian-based optimizers are often…
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…
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…
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…
Riley Hickman, Malcolm Sim, Sergio Pablo-García, Ivan Woolhouse + 6 more
Self-driving laboratories (SDLs) are next-generation research and development platforms for closed-loop, autonomous experimentation that combine ideas from artificial intelligence, robotics, and high-performance computing. A critical component of SDLs is the decision-making algorithm used to prioritize experiments to…