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Related papers: ORPilot: A Production-Oriented Agentic LLM-for-OR …

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Operations Research (OR) relies on expert-driven modeling-a slow and fragile process ill-suited to novel scenarios. While large language models (LLMs) can automatically translate natural language into optimization models, existing…

Computation and Language · Computer Science 2026-02-05 Yifan Shi , Jialong Shi , Jiayi Wang , Ye Fan , Jianyong Sun

Large language models (LLMs) have exhibited expert-level capabilities across various domains. However, their abilities to solve problems in Operations Research (OR) -- the analysis and optimization of mathematical models derived from…

Artificial Intelligence · Computer Science 2025-07-01 Akshit Kumar , Tianyi Peng , Yuhang Wu , Assaf Zeevi

Large language models (LLMs) integrated with autonomous agents hold significant potential for advancing scientific discovery through automated reasoning and task execution. However, applying LLM agents to drug discovery is still constrained…

Artificial Intelligence · Computer Science 2025-07-29 Kun Li , Zhennan Wu , Shoupeng Wang , Jia Wu , Shirui Pan , Wenbin Hu

Machine learning has been widely used to optimize complex engineering workflows across numerous domains. In integrated circuit design, modern flows (e.g., register-transfer level to physical layout) involve extensive configuration via…

Artificial Intelligence · Computer Science 2026-05-01 Amur Ghose , Andrew B. Kahng , Sayak Kundu , Zhiang Wang

Reformulating nonlinear optimization problems into solver-ready linear optimization problems is often necessary for practical applications, but the process is often manual and requires domain expertise. We propose LinearizeLLM, an…

Machine Learning · Computer Science 2026-02-03 Paul-Niklas Ken Kandora , Simon Caspar Zeller , Aaron Jeremias Elsing , Elena Kuss , Steffen Rebennack

Recent LLM-based agents have demonstrated strong capabilities in automated ML engineering. However, they heavily rely on repeated full training runs to evaluate candidate solutions, resulting in significant computational overhead, limited…

Artificial Intelligence · Computer Science 2025-11-07 Zhuowen Yuan , Tao Liu , Yang Yang , Yang Wang , Feng Qi , Kaushik Rangadurai , Bo Li , Shuang Yang

Recent agentic systems demonstrate that large language models can generate scientific visualizations from natural language. However, reliability remains a major limitation: systems may execute invalid operations, introduce subtle but…

Human-Computer Interaction · Computer Science 2026-03-27 Nathaniel Gorski , Shusen Liu , Bei Wang

The pharmaceutical industry is facing challenges with quality management such as high costs of compliance, slow responses and disjointed knowledge. This paper presents GMPilot, a domain-specific AI agent that is designed to support FDA cGMP…

Artificial Intelligence · Computer Science 2026-03-24 Xiaohan Wang , Nan Zhang , Sulene Han , Keguang Tang , Lei Xu , Zhiping Li , Xiue , Liu , Xiaomei Han

Automated machine learning (AutoML) accelerates AI development by automating tasks in the development pipeline, such as optimal model search and hyperparameter tuning. Existing AutoML systems often require technical expertise to set up…

Machine Learning · Computer Science 2025-06-09 Patara Trirat , Wonyong Jeong , Sung Ju Hwang

Operations Research practitioners debug infeasible models through an iterative process: inspecting Irreducible Infeasible Subsystems ( IIS), identifying constraint conflicts, and repairing formulations until feasibility is restored.…

Machine Learning · Computer Science 2026-05-27 Ruicheng Ao , David Simchi-Levi , Xinshang Wang

We present a framework for training trustworthy large language model (LLM) agents for optimization modeling via a verifiable synthetic data generation pipeline. Focusing on linear and mixed-integer linear programming, our approach begins…

Artificial Intelligence · Computer Science 2025-08-06 Vinicius Lima , Dzung T. Phan , Jayant Kalagnanam , Dhaval Patel , Nianjun Zhou

Autonomous machine learning research has gained significant attention recently. We present MLR-COPILOT, an autonomous Machine Learning Research framework powered by large language model agents. The system is designed to enhance ML research…

Artificial Intelligence · Computer Science 2025-11-18 Ruochen Li , Teerth Patel , Qingyun Wang , Xinya Du

Agentic modeling aims to transform LLMs into autonomous agents capable of solving complex tasks through planning, reasoning, tool use, and multi-turn interaction with environments. Despite major investment, open research remains constrained…

Artificial Intelligence · Computer Science 2026-05-22 Baolin Peng , Wenlin Yao , Qianhui Wu , Hao Cheng , Xiao Yu , Rui Yang , Tao Ge , Alessandro Sordoni , Xingdi Yuan , Yelong Shen , Pengcheng He , Tong Zhang , Zhou Yu , Jianfeng Gao

Effective prompt engineering is critical to realizing the promised productivity gains of large language models (LLMs) in knowledge-intensive tasks. Yet, many users struggle to craft prompts that yield high-quality outputs, limiting the…

Human-Computer Interaction · Computer Science 2025-10-02 Niklas Gutheil , Valentin Mayer , Leopold Müller , Jörg Rommelt , Niklas Kühl

The rapid evolution of large language models (LLMs) is transforming artificial intelligence into autonomous research partners, yet a critical gap persists in complex scientific domains such as combustion modeling. Here, practical AI…

Machine Learning · Computer Science 2026-01-06 Ke Xiao , Haoze Zhang , Runze Mao , Han Li , Zhi X. Chen

The rapid evolution of artificial intelligence, particularly large language models, presents unprecedented opportunities for materials science research. We proposed and developed an AI materials scientist named MatPilot, which has shown…

Physics and Society · Physics 2024-11-14 Ziqi Ni , Yahao Li , Kaijia Hu , Kunyuan Han , Ming Xu , Xingyu Chen , Fengqi Liu , Yicong Ye , Shuxin Bai

We introduce Orla, a library for constructing and running LLM-based agentic systems. Modern agentic applications consist of workflows that combine multiple LLM inference steps, tool calls, and heterogeneous infrastructure. Today, developers…

Artificial Intelligence · Computer Science 2026-03-17 Rana Shahout , Hayder Tirmazi , Minlan Yu , Michael Mitzenmacher

Large Language Models (LLMs) have shown remarkable capabilities in solving diverse tasks. However, their proficiency in iteratively optimizing complex solutions through learning from previous feedback remains insufficiently explored. To…

Artificial Intelligence · Computer Science 2025-06-13 Xiaozhe Li , Jixuan Chen , Xinyu Fang , Shengyuan Ding , Haodong Duan , Qingwen Liu , Kai Chen

Optimization modeling underpins real-world decision-making in logistics, manufacturing, energy, and public services, but reliably solving such problems from natural-language requirements remains challenging for current large language models…

Optimization and Control · Mathematics 2026-04-29 Jianghao Lin , Zi Ling , Chenyu Zhou , Tianyi Xu , Ruoqing Jiang , Zizhuo Wang , Dongdong Ge

Operating large-scale scientific facilities requires coordinating diverse subsystems, translating operator intent into precise hardware actions, and maintaining strict safety oversight. Language model-driven agents offer a natural interface…

Multiagent Systems · Computer Science 2025-12-15 Thorsten Hellert , João Montenegro , Antonin Sulc