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Related papers: CDEoH: Category-Driven Automatic Algorithm Design …

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Automatic Heuristic Design (AHD) is an effective framework for solving complex optimization problems. The development of large language models (LLMs) enables the automated generation of heuristics. Existing LLM-based evolutionary methods…

Artificial Intelligence · Computer Science 2025-12-12 Hui Wang , Yang Liu , Xiaoyu Zhang , Chaoxu Mu

This paper introduces MeLA, a Metacognitive LLM-Driven Architecture that presents a new paradigm for Automatic Heuristic Design (AHD). Traditional evolutionary methods operate directly on heuristic code; in contrast, MeLA evolves the…

Artificial Intelligence · Computer Science 2025-09-08 Zishang Qiu , Xinan Chen , Long Chen , Ruibin Bai

To ensure that text generated by large language models (LLMs) is in an expected format, constrained decoding proposes to enforce strict formal language constraints during generation. However, as we show in this work, not only do such…

Machine Learning · Computer Science 2024-03-13 Luca Beurer-Kellner , Marc Fischer , Martin Vechev

While Large Language Models (LLMs) have recently shown promise in Automated Heuristic Design (AHD), existing approaches typically formulate AHD around constructive priority rules or parameterized local search guidance, thereby restricting…

Artificial Intelligence · Computer Science 2026-02-10 Baoyun Zhao , He Wang , Liang Zeng

Designing functional transition metal complexes (TMCs) faces challenges due to the vast search space of metals and ligands, requiring efficient optimization strategies. Traditional genetic algorithms (GAs) are commonly used, employing…

Chemical Physics · Physics 2024-10-25 Jieyu Lu , Zhangde Song , Qiyuan Zhao , Yuanqi Du , Yirui Cao , Haojun Jia , Chenru Duan

Computational cognitive models, which formalize theories of cognition, enable researchers to quantify cognitive processes and arbitrate between competing theories by fitting models to behavioral data. Traditionally, these models are…

Machine Learning · Computer Science 2025-11-10 Milena Rmus , Akshay K. Jagadish , Marvin Mathony , Tobias Ludwig , Eric Schulz

Large language models (LLMs) have become central to modern AI workflows, powering applications from open-ended text generation to complex agent-based reasoning. However, debugging these models remains a persistent challenge due to their…

In management, business, economics, science, engineering, and research domains, Large Scale Global Optimization (LSGO) plays a predominant and vital role. Though LSGO is applied in many of the application domains, it is a very troublesome…

Neural and Evolutionary Computing · Computer Science 2019-10-10 Gutha Jaya Krishna , Vadlamani Ravi

Operations research (OR) is a core methodology that supports complex system decision-making, with broad applications in transportation, supply chain management, and production scheduling. However, traditional approaches that rely on…

Artificial Intelligence · Computer Science 2025-10-15 Yang Wang , Kai Li

Cross-modal reasoning (CMR), the intricate process of synthesizing and drawing inferences across divergent sensory modalities, is increasingly recognized as a crucial capability in the progression toward more sophisticated and…

Computation and Language · Computer Science 2024-10-01 Shengsheng Qian , Zuyi Zhou , Dizhan Xue , Bing Wang , Changsheng Xu

Using Large Language Models (LLMs) in an evolutionary or other iterative search framework have demonstrated significant potential in automated algorithm design. However, the underlying fitness landscape, which is critical for understanding…

Artificial Intelligence · Computer Science 2025-08-28 Fei Liu , Qingfu Zhang , Jialong Shi , Xialiang Tong , Kun Mao , Mingxuan Yuan

Access to large amounts of diverse design solutions can support designers during the early stage of the design process. In this paper, we explore the efficacy of large language models (LLM) in producing diverse design solutions,…

Human-Computer Interaction · Computer Science 2024-05-07 Kevin Ma , Daniele Grandi , Christopher McComb , Kosa Goucher-Lambert

Multi-objective discrete optimization problems, such as molecular design, pose significant challenges due to their vast and unstructured combinatorial spaces. Traditional evolutionary algorithms often get trapped in local optima, while…

Machine Learning · Computer Science 2025-10-09 Nian Ran , Zhongzheng Li , Yue Wang , Qingsong Ran , Xiaoyuan Zhang , Shikun Feng , Richard Allmendinger , Xiaoguang Zhao

Large Language Models (LLMs) have emerged as powerful tools capable of accomplishing a broad spectrum of tasks. Their abilities span numerous areas, and one area where they have made a significant impact is in the domain of code generation.…

Neural and Evolutionary Computing · Computer Science 2024-04-18 Muhammad U. Nasir , Sam Earle , Christopher Cleghorn , Steven James , Julian Togelius

Heuristics have achieved great success in solving combinatorial optimization problems~(COPs). However, heuristics designed by humans require too much domain knowledge and testing time. Since Large Language Models~(LLMs) possess strong…

Artificial Intelligence · Computer Science 2025-06-23 Hui Wang , Xufeng Zhang , Chaoxu Mu

Large Language Models (LLMs) have shown great potential in automatically generating and optimizing (meta)heuristics, making them valuable tools in heuristic optimization tasks. However, LLMs are generally inefficient when it comes to…

Neural and Evolutionary Computing · Computer Science 2025-05-23 Niki van Stein , Diederick Vermetten , Thomas Bäck

Large Language Models (LLMs) excel at various natural language processing tasks but remain vulnerable to jailbreaking attacks that induce harmful content generation. In this paper, we reveal a critical safety inconsistency: LLMs can more…

Computation and Language · Computer Science 2025-08-27 Peng Ding , Wen Sun , Dailin Li , Wei Zou , Jiaming Wang , Jiajun Chen , Shujian Huang

Can the rapid advances in code generation, function calling, and data analysis using large language models (LLMs) help automate the search and verification of hypotheses purely from a set of provided datasets? To evaluate this question, we…

Large Language Models (LLMs) have become extremely potent instruments with exceptional capacities for comprehending and producing human-like text in a wide range of applications. However, the increasing size and complexity of LLMs present…

Machine Learning · Computer Science 2024-06-18 Yingbing Huang , Lily Jiaxin Wan , Hanchen Ye , Manvi Jha , Jinghua Wang , Yuhong Li , Xiaofan Zhang , Deming Chen

Current large language models (LLMs) generally show a significant performance gap in alignment between English and other languages. To bridge this gap, existing research typically leverages the model's responses in English as a reference to…

Computation and Language · Computer Science 2025-09-16 Xue Zhang , Yunlong Liang , Fandong Meng , Songming Zhang , Yufeng Chen , Jinan Xu , Jie Zhou