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Optimizing an experimental system can be extremely challenging when each experiment is expensive, time-consuming, or difficult to perform. Existing optimizers for expensive black-box problems, such as Bayesian optimization, are typically…

Pre-trained large language models (LLMs) exhibit powerful capabilities for generating natural text. Evolutionary algorithms (EAs) can discover diverse solutions to complex real-world problems. Motivated by the common collective and…

Neural and Evolutionary Computing · Computer Science 2025-03-10 Chao Wang , Jiaxuan Zhao , Licheng Jiao , Lingling Li , Fang Liu , Shuyuan Yang

We consider the protein sequence engineering problem, which aims to find protein sequences with high fitness levels, starting from a given wild-type sequence. Directed evolution has been a dominating paradigm in this field which has an…

Machine Learning · Computer Science 2025-01-20 Yinkai Wang , Jiaxing He , Yuanqi Du , Xiaohui Chen , Jianan Canal Li , Li-Ping Liu , Xiaolin Xu , Soha Hassoun

Large language models (LLMs) are increasingly used to automate feature engineering in tabular learning. Given task-specific information, LLMs can propose diverse feature transformation operations to enhance downstream model performance.…

Machine Learning · Computer Science 2026-01-30 Zhuoyan Li , Aditya Bansal , Jinzhao Li , Shishuang He , Zhuoran Lu , Mutian Zhang , Qin Liu , Yiwei Yang , Swati Jain , Ming Yin , Yunyao Li

Offline black-box optimization (BBO) aims to find optimal designs based solely on an offline dataset of designs and their labels. Such scenarios frequently arise in domains like DNA sequence design and robotics, where only a few labeled…

Computational Engineering, Finance, and Science · Computer Science 2026-01-22 Ye Yuan , Can , Chen , Zipeng Sun , Dinghuai Zhang , Christopher Pal , Xue Liu

The growing integration of Large Language Models (LLMs) into critical societal domains has raised concerns about embedded biases that can perpetuate stereotypes and undermine fairness. Such biases may stem from historical inequalities in…

Computation and Language · Computer Science 2025-10-17 Riccardo Cantini , Alessio Orsino , Massimo Ruggiero , Domenico Talia

Over the last few decades, researchers have made considerable efforts to make decision support more accessible for small and medium enterprises by reducing the cost of designing, developing and maintaining automated decision support…

Software Engineering · Computer Science 2025-04-07 Daniel Karapetyan

Large language models (LLMs) are gaining increasing popularity in software engineering (SE) due to their unprecedented performance across various applications. These models are increasingly being utilized for a range of SE tasks, including…

Software Engineering · Computer Science 2025-11-05 Xing Hu , Feifei Niu , Junkai Chen , Xin Zhou , Junwei Zhang , Junda He , Xin Xia , David Lo

This study presents a framework for automated evaluation of dynamically evolving topic taxonomies in scientific literature using Large Language Models (LLMs). In digital library systems, topic modeling plays a crucial role in efficiently…

Computation and Language · Computer Science 2025-02-14 Zhiyin Tan , Jennifer D'Souza

Bilevel optimization problems comprise an upper level optimization task that contains a lower level optimization task as a constraint. While there is a significant and growing literature devoted to solving bilevel problems with single…

Neural and Evolutionary Computing · Computer Science 2024-09-06 Bing Wang , Hemant K. Singh , Tapabrata Ray

This paper presents a benchmark self-evolving framework to dynamically evaluate rapidly advancing Large Language Models (LLMs), aiming for a more accurate assessment of their capabilities and limitations. We utilize a multi-agent system to…

Computation and Language · Computer Science 2024-02-20 Siyuan Wang , Zhuohan Long , Zhihao Fan , Zhongyu Wei , Xuanjing Huang

The ability of Large Language Models (LLMs) to generate high-quality text and code has fuelled their rise in popularity. In this paper, we aim to demonstrate the potential of LLMs within the realm of optimization algorithms by integrating…

Artificial Intelligence · Computer Science 2024-02-14 Camilo Chacón Sartori , Christian Blum , Gabriela Ochoa

Recent research in Meta-Black-Box Optimization (MetaBBO) have shown that meta-trained neural networks can effectively guide the design of black-box optimizers, significantly reducing the need for expert tuning and delivering robust…

Machine Learning · Computer Science 2025-03-28 Zeyuan Ma , Jiacheng Chen , Hongshu Guo , Yue-Jiao Gong

This study introduces SLLMBO, an innovative framework leveraging large language models (LLMs) for hyperparameter optimization (HPO), incorporating dynamic search space adaptability, enhanced parameter space exploitation, and a novel…

Machine Learning · Computer Science 2025-01-06 Kanan Mahammadli , Seyda Ertekin

Meta-Black-Box Optimization (MetaBBO) is an emerging avenue within Optimization community, where algorithm design policy could be meta-learned by reinforcement learning to enhance optimization performance. So far, the reward functions in…

Machine Learning · Computer Science 2026-01-30 Zechuan Huang , Zhiguang Cao , Hongshu Guo , Yue-Jiao Gong , Zeyuan Ma

Large Language Models (LLMs) have achieved remarkable capabilities, yet their improvement methods remain fundamentally constrained by human design. We present Self-Developing, a framework that enables LLMs to autonomously discover,…

Computation and Language · Computer Science 2025-06-11 Yoichi Ishibashi , Taro Yano , Masafumi Oyamada

We study offline black-box optimization (BBO), aiming to discover improved designs from an offline dataset of designs and labels, a problem common in robotics, DNA, and materials science with limited labeled samples. While recent work…

Computational Engineering, Finance, and Science · Computer Science 2026-05-26 Zipeng Sun , Can Chen , Ye Yuan , Haolun Wu , Jiayao Gu , Christopher Pal , Xue Liu

Large language models for code are advancing fast, yet our ability to evaluate them lags behind. Current benchmarks focus on narrow tasks and single metrics, which hide critical gaps in robustness, interpretability, fairness, efficiency,…

Automated feature engineering plays a critical role in improving predictive model performance for tabular learning tasks. Traditional automated feature engineering methods are limited by their reliance on pre-defined transformations within…

Machine Learning · Computer Science 2026-05-12 Nikhil Abhyankar , Parshin Shojaee , Chandan K. Reddy

Evaluating Large Language Models (LLMs) with respect to real-world code complexity is essential. Otherwise, there is a risk of overestimating LLMs' programming abilities based on simplistic benchmarks, only to be disappointed when using…

Software Engineering · Computer Science 2026-02-24 Yang Chen , Shuyang Liu , Reyhaneh Jabbarvand