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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…

机器学习 · 统计学 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…

神经与进化计算 · 计算机科学 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…

机器学习 · 计算机科学 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…

计算工程、金融与科学 · 计算机科学 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…

神经与进化计算 · 计算机科学 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…

神经与进化计算 · 计算机科学 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…

神经与进化计算 · 计算机科学 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…

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…

机器人学 · 计算机科学 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…

神经与进化计算 · 计算机科学 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…

机器学习 · 计算机科学 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 $S$…

计算几何 · 计算机科学 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…

机器人学 · 计算机科学 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…

机器人学 · 计算机科学 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…

神经与进化计算 · 计算机科学 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…

最优化与控制 · 数学 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…

神经与进化计算 · 计算机科学 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…

神经与进化计算 · 计算机科学 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…

神经与进化计算 · 计算机科学 2024-07-23 Zhenyu Liang , Tao Jiang , Kebin Sun , Ran Cheng