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Discovering improved policy optimization algorithms for language models remains a costly manual process requiring repeated mechanism-level modification and validation. Unlike simple combinatorial code search, this problem requires searching…

Computation and Language · Computer Science 2026-03-26 Sirui Xia , Yikai Zhang , Aili Chen , Siye Wu , Siyu Yuan , Yanghua Xiao

Large language models (LLMs) have demonstrated exceptional performance not only in natural language processing tasks but also in a great variety of non-linguistic domains. In diverse optimization scenarios, there is also a rising trend of…

Neural and Evolutionary Computing · Computer Science 2024-07-09 Beichen Huang , Xingyu Wu , Yu Zhou , Jibin Wu , Liang Feng , Ran Cheng , Kay Chen Tan

Large language models (LLMs) are increasingly used in social science simulations. While their performance on reasoning and optimization tasks has been extensively evaluated, less attention has been paid to their ability to simulate human…

Computational Engineering, Finance, and Science · Computer Science 2025-08-25 Yuanjun Feng , Vivek Choudhary , Yash Raj Shrestha

Efficient sampling in biomolecular simulations is critical for accurately capturing the complex dynamical behaviors of biological systems. Adaptive sampling techniques aim to improve efficiency by focusing computational resources on the…

Biomolecules · Quantitative Biology 2024-10-22 Hassan Nadeem , Diwakar Shukla

The high cost and data scarcity in scientific exploration have motivated the use of large language models (LLMs) as knowledge-driven components in Bayesian optimization (BO). However, existing approaches typically embed LLMs directly into…

When we manually design an evolutionary optimization algorithm, we implicitly or explicitly assume a set of target optimization problems. In the case of automated algorithm design, target optimization problems are usually explicitly shown.…

Neural and Evolutionary Computing · Computer Science 2025-03-03 Lie Meng Pang , Hisao Ishibuchi

The rapid advancement of LLMs sparked significant interest in their potential to augment or automate managerial functions. One of the most recent trends in AI benchmarking is performance of Large Language Models (LLMs) over longer time…

Artificial Intelligence · Computer Science 2025-10-01 Berdymyrat Ovezmyradov

Well-designed prompts are crucial for enhancing Large language models' (LLMs) reasoning capabilities while aligning their outputs with task requirements across diverse domains. However, manually designed prompts require expertise and…

Computation and Language · Computer Science 2025-08-22 Jinyu Xiang , Jiayi Zhang , Zhaoyang Yu , Xinbing Liang , Fengwei Teng , Jinhao Tu , Fashen Ren , Xiangru Tang , Sirui Hong , Chenglin Wu , Yuyu Luo

This paper introduces a novel Large Language Models (LLMs)-assisted agent that automatically converts natural-language descriptions of power system optimization scenarios into compact, solver-ready formulations and generates corresponding…

Artificial Intelligence · Computer Science 2025-08-12 Yunkai Hu , Tianqiao Zhao , Meng Yue

We study the use of large language models (LLMs) for physics instrument design and compare their performance to reinforcement learning (RL). Using only prompting, LLMs are given task constraints and summaries of prior high-scoring designs…

Instrumentation and Detectors · Physics 2026-01-13 Sara Zoccheddu , Shah Rukh Qasim , Patrick Owen , Nicola Serra

Mathematical reasoning is a fundamental capability for large language models (LLMs), yet achieving high performance in this domain remains a significant challenge. The auto-regressive generation process often makes LLMs susceptible to…

Artificial Intelligence · Computer Science 2024-12-02 Xiaoxuan Lou , Chaojie Wang , Bo An

Large Language Models (LLMs) can acquire extensive world knowledge through pre-training on large corpora. However, due to exposure to low-quality data, LLMs may exhibit harmful behavior without aligning with human values. The dominant…

Machine Learning · Computer Science 2023-10-11 Tianhao Wu , Banghua Zhu , Ruoyu Zhang , Zhaojin Wen , Kannan Ramchandran , Jiantao Jiao

Large language models (LLMs) are increasingly proposed as agents in strategic decision environments, yet their behavior in structured geopolitical simulations remains under-researched. We evaluate six popular state-of-the-art LLMs alongside…

Computation and Language · Computer Science 2026-03-03 Veronika Solopova , Viktoria Skorik , Maksym Tereshchenko , Alina Haidun , Ostap Vykhopen

Large Language Models (LLMs) employ multi-turn interaction as a fundamental paradigm for completing complex tasks. However, their performance often degrades in extended interactions, as they are typically trained on static, single-turn…

Computation and Language · Computer Science 2026-03-03 Chenxing Wei , Hong Wang , Ying He , Fei Yu , Yao Shu

The combination of Large Language Models (LLMs), systematic evaluation, and evolutionary algorithms has enabled breakthroughs in combinatorial optimization and scientific discovery. We propose to extend this powerful combination to the…

Artificial Intelligence · Computer Science 2026-03-12 Carlo Bosio , Mark W. Mueller

Diffusion large language models (dLLMs) are promising alternatives to autoregressive large language models (AR-LLMs), as they potentially allow higher inference throughput. Reinforcement learning (RL) is a crucial component for dLLMs to…

Machine Learning · Computer Science 2026-02-24 Yuchen Zhu , Wei Guo , Jaemoo Choi , Petr Molodyk , Bo Yuan , Molei Tao , Yongxin Chen

Large Language Models (LLMs) have become a milestone in the field of artificial intelligence and natural language processing. However, their large-scale deployment remains constrained by the need for significant computational resources.…

Computation and Language · Computer Science 2025-08-07 Julián Camilo Velandia Gutiérrez

Optimization algorithms and large language models (LLMs) enhance decision-making in dynamic environments by integrating artificial intelligence with traditional techniques. LLMs, with extensive domain knowledge, facilitate intelligent…

Neural and Evolutionary Computing · Computer Science 2024-05-17 Sen Huang , Kaixiang Yang , Sheng Qi , Rui Wang

Large language models (LLMs) are empowering decision-making in several applications, including tool or API usage and answering multiple-choice questions (MCQs). However, incorrect outputs pose significant risks in high-stakes domains like…

Machine Learning · Computer Science 2025-07-15 Harit Vishwakarma , Alan Mishler , Thomas Cook , Niccolò Dalmasso , Natraj Raman , Sumitra Ganesh

The language generation and reasoning capabilities of large language models (LLMs) have enabled conversational systems with impressive performance in a variety of tasks, from code generation, to composing essays, to passing STEM and legal…

Artificial Intelligence · Computer Science 2025-02-28 Konstantina Christakopoulou , Iris Qu , John Canny , Andrew Goodridge , Cj Adams , Minmin Chen , Maja Matarić