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Combinatorial optimization (CO) problems, central to decision-making scenarios like logistics and manufacturing, are traditionally solved using problem-specific algorithms requiring significant domain expertise. While large language models…

Artificial Intelligence · Computer Science 2025-09-24 Xia Jiang , Yaoxin Wu , Minshuo Li , Zhiguang Cao , Yingqian Zhang

Recent advancements in Large Language Models (LLMs) have shown significant progress in understanding complex natural language. One important application of LLM is LLM-based AI Agent, which leverages the ability of LLM as well as external…

Computation and Language · Computer Science 2024-07-19 Zelong Li , Shuyuan Xu , Kai Mei , Wenyue Hua , Balaji Rama , Om Raheja , Hao Wang , He Zhu , Yongfeng Zhang

Bayesian optimization (BO) is a powerful class of algorithms for optimizing expensive black-box functions, but designing effective BO algorithms remains a manual, expertise-driven task. Recent advancements in Large Language Models (LLMs)…

Machine Learning · Computer Science 2025-05-28 Wenhu Li , Niki van Stein , Thomas Bäck , Elena Raponi

Large Language Models (LLMs) have shown notable potential in code generation for optimization algorithms, unlocking exciting new opportunities. This paper examines how LLMs, rather than creating algorithms from scratch, can improve existing…

Artificial Intelligence · Computer Science 2025-07-22 Camilo Chacón Sartori , Christian Blum

In the high-cost simulation-driven design domain, translating ambiguous design requirements into a mathematical optimization formulation is a bottleneck for optimizing product performance. This process is time-consuming and heavily reliant…

Computation and Language · Computer Science 2026-04-14 Yuchen Li , Handing Wang , Bing Xue , Mengjie Zhang , Yaochu Jin

Modern engineering increasingly relies on vast datasets generated by experiments and simulations, driving a growing demand for efficient, reliable, and broadly applicable modeling strategies. There is also heightened interest in developing…

Artificial Intelligence · Computer Science 2025-10-03 Yang Liu , Zaid Abulawi , Abhiram Garimidi , Doyeong Lim

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

Analog circuit design requires substantial human expertise and involvement, which is a significant roadblock to design productivity. Bayesian Optimization (BO), a popular machine learning based optimization strategy, has been leveraged to…

Machine Learning · Computer Science 2025-04-04 Yuxuan Yin , Yu Wang , Boxun Xu , Peng Li

Large Language Models (LLMs) are revolutionizing industries by enhancing efficiency, scalability, and innovation. This paper investigates the potential of LLMs in automating Computer-Aided Design (CAD) workflows, by integrating FreeCAD with…

Human-Computer Interaction · Computer Science 2025-08-05 Sumit Kumar , Sarthak Kapoor , Harsh Vardhan , Yao Zhao

Agentic AI systems built on large language models (LLMs) offer significant potential for automating complex workflows, from software development to customer support. However, LLM agents often underperform due to suboptimal configurations;…

Large language models (LLMs) have shown impressive performance in general programming tasks. However, in Machine Learning Engineering (MLE) scenarios such as AutoML and Kaggle competitions, achieving high performance depends heavily on…

Artificial Intelligence · Computer Science 2025-10-10 Shangheng Du , Xiangchao Yan , Dengyang Jiang , Jiakang Yuan , Yusong Hu , Xin Li , Liang He , Bo Zhang , Lei Bai

Optimization algorithms are widely employed to tackle complex problems, but designing them manually is often labor-intensive and requires significant expertise. Global placement is a fundamental step in electronic design automation (EDA).…

Neural and Evolutionary Computing · Computer Science 2025-04-28 Xufeng Yao , Jiaxi Jiang , Yuxuan Zhao , Peiyu Liao , Yibo Lin , Bei Yu

Large Language Model (LLM)-based agents have demonstrated strong capabilities across a wide range of tasks, and their application in the medical domain holds particular promise due to the demand for high generalizability and reliance on…

Artificial Intelligence · Computer Science 2025-08-18 Yangyang Zhuang , Wenjia Jiang , Jiayu Zhang , Ze Yang , Joey Tianyi Zhou , Chi Zhang

This paper explores the use of foundational large language models (LLMs) in hyperparameter optimization (HPO). Hyperparameters are critical in determining the effectiveness of machine learning models, yet their optimization often relies on…

Machine Learning · Computer Science 2024-11-12 Michael R. Zhang , Nishkrit Desai , Juhan Bae , Jonathan Lorraine , Jimmy Ba

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…

In the design process of the analog circuit pre-layout phase, device sizing is an important step in determining whether an analog circuit can meet the required performance metrics. Many existing techniques extract the circuit sizing task as…

Artificial Intelligence · Computer Science 2025-06-24 Chengjie Liu , Weiyu Chen , Huiyao Xu , Yuan Du , Jun Yang , Li Du

Many important scientific problems involve multivariate optimization coupled with slow and laborious experimental measurements. These complex, high-dimensional searches can be defined by non-convex optimization landscapes that resemble…

Machine Learning · Computer Science 2025-09-22 Abdoulatif Cissé , Xenophon Evangelopoulos , Vladimir V. Gusev , Andrew I. Cooper

Automatic search for Multi-Agent Systems has recently emerged as a key focus in agentic AI research. Several prior approaches have relied on LLM-based free-form search over the code space. In this work, we propose a more structured…

Large Language Models (LLMs) have shown remarkable capabilities in natural language tasks requiring complex reasoning, yet their application in agentic, multi-step reasoning within interactive environments remains a difficult challenge.…

Artificial Intelligence · Computer Science 2024-08-15 Pranav Putta , Edmund Mills , Naman Garg , Sumeet Motwani , Chelsea Finn , Divyansh Garg , Rafael Rafailov

Cognitive systems generally require a human to translate a problem definition into some specification that the cognitive system can use to attempt to solve the problem or perform the task. In this paper, we illustrate that large language…

Artificial Intelligence · Computer Science 2024-06-12 Robert E. Wray , James R. Kirk , John E. Laird