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Large Language Models (LLMs) have demonstrated remarkable reasoning abilities, prompting interest in their application as black-box optimizers. This paper asserts that LLMs possess the capability for zero-shot optimization across diverse…

Large Language Models (LLMs) are revolutionizing software engineering (SE), with special emphasis on code generation and analysis. However, their applications to broader SE practices including conceptualization, design, and other non-code…

Software Engineering · Computer Science 2025-06-16 Fabian C. Peña

Large language models (LLMs) are increasingly used in various domains, showing impressive potential on different tasks. Recently, reasoning LLMs have been proposed to improve the \textit{reasoning} or \textit{thinking} capabilities of LLMs…

Artificial Intelligence · Computer Science 2025-10-22 Jiahao Yu , Zelei Cheng , Xian Wu , Xinyu Xing

Large Language Models (LLMs) show potential as sequential decision-making agents, but their application is often limited due to a reliance on large, computationally expensive models. This creates a need to improve smaller models, yet…

Computation and Language · Computer Science 2025-08-15 Jim Dilkes , Vahid Yazdanpanah , Sebastian Stein

While long-context large language models (LLMs) exhibit remarkable document processing capabilities, their prohibitively high training costs often hinder customized applications. To mitigate this issue, we propose \textit{Sequential…

Machine Learning · Computer Science 2025-05-23 Wenhao Li , Yuxin Zhang , Gen Luo , Daohai Yu , Rongrong Ji

LLMs are increasingly applied to recommendation, retrieval, and reasoning, yet deploying a single end-to-end model that can jointly support these behaviors over large, heterogeneous catalogs remains challenging. Such systems must generate…

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…

We demonstrate the ability of large language models (LLMs) to perform iterative self-improvement of robot policies. An important insight of this paper is that LLMs have a built-in ability to perform (stochastic) numerical optimization and…

Direct Preference Optimization (DPO) is broadly utilized for aligning Large Language Models (LLMs) with human values because of its flexibility. Despite its effectiveness, it has been observed that the capability of DPO to generate…

Machine Learning · Computer Science 2025-05-20 Wenqiao Zhu , Ji Liu , Lulu Wang , Jun Wu , Yulun Zhang

While large language models (LLMs) have shown strong performance in math and logic reasoning, their ability to handle combinatorial optimization (CO) -- searching high-dimensional solution spaces under hard constraints -- remains…

Artificial Intelligence · Computer Science 2026-04-13 Xia Jiang , Jing Chen , Cong Zhang , Jie Gao , Chengpeng Hu , Chenhao Zhang , Yaoxin Wu , Yingqian Zhang

Most of the existing Large Language Model (LLM) benchmarks on scientific problem reasoning focus on problems grounded in high-school subjects and are confined to elementary algebraic operations. To systematically examine the reasoning…

Computation and Language · Computer Science 2024-07-01 Xiaoxuan Wang , Ziniu Hu , Pan Lu , Yanqiao Zhu , Jieyu Zhang , Satyen Subramaniam , Arjun R. Loomba , Shichang Zhang , Yizhou Sun , Wei Wang

Optimization problems often require domain-specific expertise to design problem-dependent methodologies. Recently, several approaches have gained attention by integrating large language models (LLMs) into genetic algorithms. Building on…

Neural and Evolutionary Computing · Computer Science 2025-04-15 Yamato Shinohara , Jinglue Xu , Tianshui Li , Hitoshi Iba

With the development of artificial intelligence (AI), large language models (LLM) are widely used in many fields. However, the reasoning ability of LLM is still very limited when it comes to mathematical reasoning. Mathematics plays an…

Computation and Language · Computer Science 2024-08-06 Wenbei Xie , Donglin Liu , Haoran Yan , Wenjie Wu , Zongyang Liu

Existing Large Language Models (LLMs) generate text through unidirectional autoregressive decoding methods to respond to various user queries. These methods tend to consider token selection in a simple sequential manner, making it easy to…

Computation and Language · Computer Science 2024-05-28 Ziqin Luo , Haixia Han , Haokun Zhao , Guochao Jiang , Chengyu Du , Tingyun Li , Jiaqing Liang , Deqing Yang , Yanghua Xiao

This paper focuses on extending the success of large language models (LLMs) to sequential decision making. Existing efforts either (i) re-train or finetune LLMs for decision making, or (ii) design prompts for pretrained LLMs. The former…

Machine Learning · Computer Science 2025-06-17 Dingyang Chen , Qi Zhang , Yinglun Zhu

Traditional optimization methods excel in well-defined search spaces but struggle with design problems where transformations and design parameters are difficult to define. Large language models (LLMs) offer a promising alternative by…

Machine Learning · Computer Science 2025-12-01 Anthony Carreon , Vansh Sharma , Venkat Raman

With the recent progress of Large Language Models (LLMs), there is a growing interest in applying these models to solve complex and challenging problems. Modern LLMs, capable of processing long contexts and generating verbalized…

Computation and Language · Computer Science 2026-04-14 WonJin Yoon , Kangyu Zhu , Ian Bulovic , Autumn Sehy , Yanjun Gao , Dmitriy Dligach , Majid Afshar , Timothy A. Miller

Many real-world scientific and industrial applications require the optimization of expensive black-box functions. Bayesian Optimization (BO) provides an effective framework for such problems. However, traditional BO methods are prone to get…

Artificial Intelligence · Computer Science 2025-09-29 Zhuo Yang , Daolang Wang , Lingli Ge , Beilun Wang , Tianfan Fu , Yuqiang Li

Large language models (LLMs) exhibit remarkable capabilities across diverse tasks, yet aligning them efficiently and effectively with human expectations remains a critical challenge. This thesis advances LLM alignment by introducing novel…

Computation and Language · Computer Science 2025-06-12 Yuxin Jiang

Mathematical reasoning is essential for problem-solving in education, science, and industry, serving as a crucial benchmark for evaluating artificial intelligence systems. As Large Language Models (LLMs) improve their reasoning…

Computation and Language · Computer Science 2026-05-20 Husnain Amjad , Raja Khurram Shahzad , Aamir Shahzad , Mehwish Fatima