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Building local surrogates to accelerate stationary point searches on potential energy surfaces spans decades of effort. Done correctly, surrogates can reduce the number of expensive electronic structure evaluations by roughly an order of…

Machine Learning · Statistics 2026-04-30 Rohit Goswami

Data-driven evolutionary optimization has witnessed great success in solving complex real-world optimization problems. However, existing data-driven optimization algorithms require that all data are centrally stored, which is not always…

Neural and Evolutionary Computing · Computer Science 2021-02-17 Jinjin Xu , Yaochu Jin , Wenli Du , Sai Gu

Neural Architecture Search (NAS) methods have been successfully applied to image tasks with excellent results. However, NAS methods are often complex and tend to converge to local minima as soon as generated architectures seem to yield good…

Machine Learning · Computer Science 2021-10-29 Vasco Lopes , Miguel Santos , Bruno Degardin , Luís A. Alexandre

Many real-world systems are modelled using complex ordinary differential equations (ODEs). However, the dimensionality of these systems can make them challenging to analyze. Dimensionality reduction techniques like Proper Orthogonal…

Computational Engineering, Finance, and Science · Computer Science 2025-02-26 Abhishek Ajayakumar , Soumyendu Raha

Given a ground set of items, the result diversification problem aims to select a subset with high "quality" and "diversity" while satisfying some constraints. It arises in various real-world artificial intelligence applications, such as…

Neural and Evolutionary Computing · Computer Science 2022-05-10 Chao Qian , Dan-Xuan Liu , Zhi-Hua Zhou

Evolutionary optimization algorithms often face defects and limitations that complicate the evolution processes or even prevent them from reaching the global optimum. A notable constraint pertains to the considerable quantity of function…

Neural and Evolutionary Computing · Computer Science 2025-05-23 Farshid Farhadi Khouzani , Abdolreza Mirzaei , Paul La Plante , Laxmi Gewali

Surrogate models that combine dimensionality reduction and regression techniques are essential to reduce the need for costly high-fidelity computational fluid dynamics data. New approaches using $\beta$-Variational Autoencoder ($\beta$-VAE)…

Graph-structured combinatorial problems in complex networks are prevalent in many domains, and are computationally demanding due to their complexity and non-linear nature. Traditional evolutionary algorithms (EAs), while robust, often face…

Neural and Evolutionary Computing · Computer Science 2025-09-16 Jie Zhao , Kang Hao Cheong

The term `surrogate modeling' in computational science and engineering refers to the development of computationally efficient approximations for expensive simulations, such as those arising from numerical solution of partial differential…

Numerical Analysis · Mathematics 2022-08-12 Maarten V. de Hoop , Daniel Zhengyu Huang , Elizabeth Qian , Andrew M. Stuart

Continuum robots, known for their high flexibility and adaptability, offer immense potential for applications such as medical surgery, confined-space inspections, and wearable devices. However, their non-linear elastic nature and complex…

Robotics · Computer Science 2024-10-25 Po-Yu Hsieh , June-Hao Hou

LLM-guided evolutionary methods such as AlphaEvolve have proven effective in domains like math, systems research, and algorithmic discovery, but their reliance on frontier models makes each run expensive. We argue this is largely an…

Neural and Evolutionary Computing · Computer Science 2026-05-12 Temoor Tanveer

Operator-based neural network architectures such as DeepONets have emerged as a promising tool for the surrogate modeling of physical systems. In general, towards operator surrogate modeling, the training data is generated by solving the…

Machine Learning · Computer Science 2024-02-28 Shivam Choubey , Birupaksha Pal , Manish Agrawal

We study algorithms and combinatorial complexity bounds for \emph{stable-matching Voronoi diagrams}, where a set, $S$, of $n$ point sites in the plane determines a stable matching between the points in $\mathbb{R}^2$ and the sites in $S$…

Computational Geometry · Computer Science 2021-02-23 Gill Barequet , David Eppstein , Michael T. Goodrich , Nil Mamano

In the realm of household robotics, the Zero-Shot Object Navigation (ZSON) task empowers agents to adeptly traverse unfamiliar environments and locate objects from novel categories without prior explicit training. This paper introduces…

Robotics · Computer Science 2024-02-07 Pengying Wu , Yao Mu , Bingxian Wu , Yi Hou , Ji Ma , Shanghang Zhang , Chang Liu

Rapidly-exploring Random Trees (RRTs) are a popular technique for autonomous exploration of mobile robots. However, the random sampling used by RRTs can result in inefficient and inaccurate frontiers extraction, which affects the…

Robotics · Computer Science 2023-09-13 Dingfeng Chen , Anxing Xiao , Meiyuan Zou , Wenzheng Chi , Jiankun Wang , Lining Sun

Coverage optimization generally involves deploying a set of facilities to best satisfy the demands of specified points, with broad applications in fields such as location science and sensor networks. Recent applications reveal that the…

Neural and Evolutionary Computing · Computer Science 2025-02-28 Tongyu Wu , Changhao Miao , Yuntian Zhang , Fang Deng , Chen Chen

One method to solve expensive black-box optimization problems is to use a surrogate model that approximates the objective based on previous observed evaluations. The surrogate, which is cheaper to evaluate, is optimized instead to find an…

Optimization and Control · Mathematics 2021-05-28 Rickard Karlsson , Laurens Bliek , Sicco Verwer , Mathijs de Weerdt

Multi-objective evolutionary algorithms (MOEAs) have emerged as powerful tools for solving complex optimization problems characterized by multiple, often conflicting, objectives. While advancements have been made in computational efficiency…

Neural and Evolutionary Computing · Computer Science 2024-08-09 Zherui Zhang , Fan Yang , Ran Cheng , Yuxin Ma

Multi-objective evolutionary algorithms (MOEAs) have become essential tools for solving multi-objective optimization problems (MOPs), making their running time analysis crucial for assessing algorithmic efficiency and guiding practical…

Neural and Evolutionary Computing · Computer Science 2025-07-04 Han Huang , Tianyu Wang , Chaoda Peng , Tongli He , Zhifeng Hao

Evolutionary multiobjective optimization has witnessed remarkable progress during the past decades. However, existing algorithms often encounter computational challenges in large-scale scenarios, primarily attributed to the absence of…

Neural and Evolutionary Computing · Computer Science 2024-07-23 Zhenyu Liang , Tao Jiang , Kebin Sun , Ran Cheng