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Automatic code optimization remains a difficult challenge, particularly for complex loop nests on modern hardware. This paper investigates a novel approach to code optimization where Large Language Models (LLMs) guide the process through a…

Programming Languages · Computer Science 2025-12-30 Massinissa Merouani , Islem Kara Bernou , Riyadh Baghdadi

Modern scientific discovery increasingly relies on high-performance computing for complex modeling and simulation. A key challenge in improving parallel program performance is efficiently mapping tasks to processors and data to memory, a…

Machine Learning · Computer Science 2025-06-02 Anjiang Wei , Allen Nie , Thiago S. F. X. Teixeira , Rohan Yadav , Wonchan Lee , Ke Wang , Alex Aiken

Mixed Integer Linear Programs (MILPs) are highly flexible and powerful tools for modeling and solving complex real-world combinatorial optimization problems. Recently, machine learning (ML)-guided approaches have demonstrated significant…

Artificial Intelligence · Computer Science 2025-06-13 Junyang Cai , Taoan Huang , Bistra Dilkina

This paper presents a method to certify the computational complexity of a standard Branch and Bound method for solving Mixed-Integer Quadratic Programming (MIQP) problems defined as instances of a multi-parametric MIQP. Beyond previous…

Systems and Control · Electrical Eng. & Systems 2022-04-06 Shamisa Shoja , Daniel Arnström , Daniel Axehill

Linear Predictive Clustering (LPC) partitions samples based on shared linear relationships between feature and target variables, with numerous applications including marketing, medicine, and education. Greedy optimization methods, commonly…

Machine Learning · Computer Science 2026-04-08 Jiazhou Liang , Hassan Khurram , Scott Sanner

Large language model (LLM)-based agents are increasingly used to perform complex, multi-step workflows in regulated settings such as compliance and due diligence. However, many agentic architectures rely primarily on prompt engineering of a…

Artificial Intelligence · Computer Science 2026-02-03 Ananya Joshi , Michael Rudow

With the rapid progress of large language models (LLMs), LLM-powered multi-agent systems (MAS) are drawing increasing interest across academia and industry. However, many current MAS frameworks struggle with reliability and scalability,…

Multiagent Systems · Computer Science 2025-11-04 Yang Li , Siqi Ping , Xiyu Chen , Xiaojian Qi , Zigan Wang , Ye Luo , Xiaowei Zhang

The rapid development of large language model (LLM)-based agents has unlocked new possibilities for autonomous multi-turn reasoning and tool-augmented decision-making. However, their real-world deployment is hindered by severe…

The automation of scientific discovery represents a critical milestone in Artificial Intelligence (AI) research. However, existing agentic systems for science suffer from two fundamental limitations: rigid, pre-programmed workflows that…

Artificial Intelligence · Computer Science 2025-10-20 Ed Li , Junyu Ren , Xintian Pan , Cat Yan , Chuanhao Li , Dirk Bergemann , Zhuoran Yang

We propose a hierarchical architecture for efficiently computing high-quality solutions to structured mixed-integer programs (MIPs). To reduce computational effort, our approach decouples the original problem into a higher level problem and…

Optimization and Control · Mathematics 2025-12-04 Stefan Clarke , Bartolomeo Stellato

Agentic data science (ADS) systems are rapidly improving their capability to autonomously analyze, fit, and interpret data, potentially moving towards a future where agents conduct the vast majority of data-science work. However, current…

Artificial Intelligence · Computer Science 2026-05-06 Chandan Singh , Yan Shuo Tan , Weijia Xu , Zelalem Gero , Weiwei Yang , Michel Galley , Jianfeng Gao

With the rapid advancement of agent-based methods in recent years, Agentic RAG has undoubtedly become an important research direction. Multi-hop reasoning, which requires models to engage in deliberate thinking and multi-step interaction,…

Computation and Language · Computer Science 2026-02-24 Qijie You , Wenkai Yu , Wentao Zhang

In this paper, we investigate the constraint typology of mixed-integer linear programming MILP formulations. MILP is a commonly used mathematical programming technique for modelling and solving real-life scheduling, routing, planning,…

Artificial Intelligence · Computer Science 2021-03-02 Vicky Mak-Hau , John Yearwood , William Moran

While knowledge distillation has become a mature field for compressing large language models (LLMs) into smaller ones by aligning their outputs or internal representations, the distillation of LLM-based agents, which involve planning,…

Artificial Intelligence · Computer Science 2025-06-18 Jiahao Qiu , Xinzhe Juan , Yimin Wang , Ling Yang , Xuan Qi , Tongcheng Zhang , Jiacheng Guo , Yifu Lu , Zixin Yao , Hongru Wang , Shilong Liu , Xun Jiang , Liu Leqi , Mengdi Wang

The rapid advancement of large language models (LLMs) has opened new possibilities for automating the proposal of innovative scientific ideas. This process involves two key phases: literature retrieval and idea generation. However, existing…

Computation and Language · Computer Science 2025-02-18 Wenxiao Wang , Lihui Gu , Liye Zhang , Yunxiang Luo , Yi Dai , Chen Shen , Liang Xie , Binbin Lin , Xiaofei He , Jieping Ye

Several recent publications report advances in training optimal decision trees (ODT) using mixed-integer programs (MIP), due to algorithmic advances in integer programming and a growing interest in addressing the inherent suboptimality of…

Machine Learning · Computer Science 2020-11-09 Haoran Zhu , Pavankumar Murali , Dzung T. Phan , Lam M. Nguyen , Jayant R. Kalagnanam

Agentic methods have emerged as a powerful and autonomous paradigm that enhances reasoning, collaboration, and adaptive control, enabling systems to coordinate and independently solve complex tasks. We extend this paradigm to safety…

Artificial Intelligence · Computer Science 2025-10-30 Juan Ren , Mark Dras , Usman Naseem

Distributed Multi-Agent Path Finding (MAPF) integrated with Multi-Agent Reinforcement Learning (MARL) has emerged as a prominent research focus, enabling real-time cooperative decision-making in partially observable environments through…

Multiagent Systems · Computer Science 2026-01-08 Guotao Li , Shaoyun Xu , Yuexing Hao , Yang Wang , Yuhui Sun

While LLM-based agents excel at planning and executing long action sequences, their execution often remains inconsistent across trials, limiting reliability. Consolidating agent consistency requires distilling trial-error trajectories into…

Machine Learning · Computer Science 2026-05-12 Zihan Huang , Junda Wu , Tong Yu , Qianqi Yan , Rohan Surana , Uttaran Bhattacharya , Lina Yao , Xin Eric Wang , Julian McAuley

Mixed-integer programming (MIP) is a well-established framework for computer-aided molecular design (CAMD). By precisely encoding the molecular space and score functions, e.g., a graph neural network, the molecular design problem is…

Computational Engineering, Finance, and Science · Computer Science 2024-11-26 Shiqiang Zhang , Christian W. Feldmann , Frederik Sandfort , Miriam Mathea , Juan S. Campos , Ruth Misener