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We employ an evolutionary algorithm to automatically optimize different stages of a cold atom experiment without human intervention. This approach closes the loop between computer based experimental control systems and automatic real time…

Population-based evolutionary algorithms have great potential to handle multiobjective optimisation problems. However, these algorithms depends largely on problem characteristics, and there is a need to improve their performance for a wider…

Neural and Evolutionary Computing · Computer Science 2019-10-17 Shouyong Jiang , Hongru Li , Jinglei Guo , Mingjun Zhong , Shengxiang Yang , Marcus Kaiser , Natalio Krasnogor

Multi-objective optimization problems are ubiquitous in real-world science, engineering and design optimization problems. It is not uncommon that the objective functions are as a black box, the evaluation of which usually involve…

Neural and Evolutionary Computing · Computer Science 2021-09-14 Ke Li , Renzhi Chen

Multiobjective feature selection seeks to determine the most discriminative feature subset by simultaneously optimizing two conflicting objectives: minimizing the number of selected features and the classification error rate. The goal is to…

Neural and Evolutionary Computing · Computer Science 2025-05-12 Zhenxing Zhang , Qianxiang An , Yilei Wang , Chenfeng Wu , Baoling Dong , Chunjie Zhou

Automatic Chemical Design is a framework for generating novel molecules with optimized properties. The original scheme, featuring Bayesian optimization over the latent space of a variational autoencoder, suffers from the pathology that it…

Machine Learning · Statistics 2019-08-13 Ryan-Rhys Griffiths , José Miguel Hernández-Lobato

We analyze the convergence of gradient-based optimization algorithms that base their updates on delayed stochastic gradient information. The main application of our results is to the development of gradient-based distributed optimization…

Optimization and Control · Mathematics 2011-05-02 Alekh Agarwal , John C. Duchi

In recent years, to improve the evolutionary algorithms used to solve optimization problems involving a large number of decision variables, many attempts have been made to simplify the problem solution space of a given problem for the…

Neural and Evolutionary Computing · Computer Science 2021-02-25 Liang Feng , Qingxia Shang , Yaqing Hou , Kay Chen Tan , Yew-Soon Ong

Bayesian optimization is normally performed within fixed variable bounds. In cases like hyperparameter tuning for machine learning algorithms, setting the variable bounds is not trivial. It is hard to guarantee that any fixed bounds will…

Optimization and Control · Mathematics 2020-01-15 Wei Chen , Mark Fuge

While popular optimization methods such as SGD, AdamW, and Lion depend on steepest descent updates in either $\ell_2$ or $\ell_\infty$ norms, there remains a critical gap in handling the non-Euclidean structure observed in modern deep…

Machine Learning · Computer Science 2025-06-11 Xinyu Luo , Cedar Site Bai , Bolian Li , Petros Drineas , Ruqi Zhang , Brian Bullins

Chance constrained optimization problems allow to model problems where constraints involving stochastic components should only be violated with a small probability. Evolutionary algorithms have been applied to this scenario and shown to…

Neural and Evolutionary Computing · Computer Science 2024-08-23 Frank Neumann , Carsten Witt

Equation discovery methods hold promise for extracting knowledge from physics-related data. However, existing approaches often require substantial prior information that significantly reduces the amount of knowledge extracted. In this…

Neural and Evolutionary Computing · Computer Science 2025-01-28 Mikhail Maslyaev , Alexander Hvatov

We present AutoOED, an Optimal Experiment Design platform powered with automated machine learning to accelerate the discovery of optimal solutions. The platform solves multi-objective optimization problems in time- and data-efficient manner…

Artificial Intelligence · Computer Science 2021-04-14 Yunsheng Tian , Mina Konaković Luković , Timothy Erps , Michael Foshey , Wojciech Matusik

We present the first general purpose framework for marginal maximum a posteriori estimation of probabilistic program variables. By using a series of code transformations, the evidence of any probabilistic program, and therefore of any…

Machine Learning · Statistics 2017-07-17 Tom Rainforth , Tuan Anh Le , Jan-Willem van de Meent , Michael A. Osborne , Frank Wood

Machine learning methods usually depend on internal parameters -- so called hyperparameters -- that need to be optimized for best performance. Such optimization poses a burden on machine learning practitioners, requiring expert knowledge,…

Chemical Physics · Physics 2020-04-03 Annika Stuke , Patrick Rinke , Milica Todorović

Collective communications are ubiquitous in parallel applications. We present two new algorithms for performing a reduction. The operation associated with our reduction needs to be associative and commutative. The two algorithms are…

Distributed, Parallel, and Cluster Computing · Computer Science 2013-10-18 Bradley R. Lowery , Julien Langou

While modern biotechnologies allow synthesizing new proteins and function measurements at scale, efficiently exploring a protein sequence space and engineering it remains a daunting task due to the vast sequence space of any given protein.…

Biomolecules · Quantitative Biology 2024-01-15 Jiahao Qiu , Hui Yuan , Jinghong Zhang , Wentao Chen , Huazheng Wang , Mengdi Wang

This paper presents a novel Differential Evolution algorithm for protein folding optimization that is applied to a three-dimensional AB off-lattice model. The proposed algorithm includes two new mechanisms. A local search is used to improve…

Artificial Intelligence · Computer Science 2018-05-08 Borko Bošković , Janez Brest

This work concerns the evolutionary approaches to distributed stochastic black-box optimization, in which each worker can individually solve an approximation of the problem with nature-inspired algorithms. We propose a distributed evolution…

Neural and Evolutionary Computing · Computer Science 2022-04-12 Xiaoyu He , Zibin Zheng , Chuan Chen , Yuren Zhou , Chuan Luo , Qingwei Lin

Evolutionary algorithms are wildly used in unmanned aerial vehicle path planning for their flexibility and effectiveness. Nevertheless, they are so sensitive to the change of environment that can't adapt to all scenarios. Due to this…

Neural and Evolutionary Computing · Computer Science 2022-04-08 Jiabin Lou , Rong Ding , Wenjun Wu

Directed evolution is an iterative laboratory process of designing proteins with improved function by iteratively synthesizing new protein variants and evaluating their desired property with expensive and time-consuming biochemical…

Machine Learning · Computer Science 2025-09-08 Matouš Soldát , Jiří Kléma