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Automating operations research (OR) with large language models (LLMs) remains limited by hand-crafted reasoning--execution workflows. Complex OR tasks require adaptive coordination among problem interpretation, mathematical formulation,…

Artificial Intelligence · Computer Science 2026-04-21 Jiahao Huang , Peilan Xu , Xiaoya Nan , Wenjian Luo

Inductive program synthesis, or programming by example, requires synthesizing functions from input-output examples that generalize to unseen inputs. While large language model agents have shown promise in programming tasks guided by natural…

Programming Languages · Computer Science 2025-08-11 Anjiang Wei , Tarun Suresh , Jiannan Cao , Naveen Kannan , Yuheng Wu , Kai Yan , Thiago S. F. X. Teixeira , Ke Wang , Alex Aiken

Large language models (LLMs) have demonstrated remarkable capabilities in various domains, particularly in system 1 tasks, yet the intricacies of their problem-solving mechanisms in system 2 tasks are not sufficiently explored. Recent…

Artificial Intelligence · Computer Science 2025-02-19 Kounianhua Du , Hanjing Wang , Jianxing Liu , Jizheng Chen , Xinyi Dai , Yasheng Wang , Ruiming Tang , Yong Yu , Jun Wang , Weinan Zhang

As the complexity of the HPC storage stack rapidly grows, domain scientists face increasing challenges in effectively utilizing HPC storage systems to achieve their desired I/O performance. To identify and address I/O issues, scientists…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-03-02 Chris Egersdoerfer , Arnav Sareen , Jean Luca Bez , Suren Byna , Dongkuan Xu , Dong Dai

We develop a simple and straightforward methodology to create AI computer agents that can carry out diverse computer tasks and self-improve by developing tools and augmentations to enable themselves to solve increasingly complex tasks. As…

Artificial Intelligence · Computer Science 2024-04-19 Alex Sheng

Large Language Model (LLM)-based agentic systems have shown strong capabilities across various tasks. However, existing multi-agent frameworks often rely on static or task-level workflows, which either over-process simple queries or…

Artificial Intelligence · Computer Science 2026-02-16 Jinwei Su , Qizhen Lan , Yinghui Xia , Lifan Sun , Weiyou Tian , Tianyu Shi , Xinyuan Song , Lewei He , Yang Jingsong

We propose LEO-RobotAgent, a general-purpose language-driven intelligent agent framework for robots. Under this framework, LLMs can operate different types of robots to complete unpredictable complex tasks across various scenarios. This…

Robotics · Computer Science 2026-04-16 Lihuang Chen , Xiangyu Luo , Jun Meng

Large Language Model (LLM) Agents have demonstrated remarkable capabilities in task automation and intelligent decision-making, driving the widespread adoption of agent development frameworks such as LangChain and AutoGen. However, these…

Artificial Intelligence · Computer Science 2025-10-10 Jiabin Tang , Tianyu Fan , Chao Huang

Large Language Models (LLMs) have shown remarkable performance in automated code generation. However, existing approaches often rely heavily on pre-defined test cases, which become impractical in scenarios where such cases are unavailable.…

Software Engineering · Computer Science 2025-07-28 Kefan Li , Yuan Yuan , Hongyue Yu , Tingyu Guo , Shijie Cao

The era of the Internet of Agents (IoA) is taking shape: LLM agents are expected to fulfill user goals by orchestrating fast-growing populations of Model Context Protocol (MCP) servers, Agent-to-Agent (A2A) endpoints, reusable skills, and…

Artificial Intelligence · Computer Science 2026-05-29 Wei Zheng , Yang Yan , Yiyang Shao , Jinyang Li , Zeze Chang , Yukuang Jia , Qiming Mao , Chihyung Wang , Jingbin Zhou

The substantial data volumes encountered in modern particle physics and other domains of fundamental physics research allow (and require) the use of increasingly complex data analysis tools and workflows. While the use of machine learning…

High Energy Physics - Phenomenology · Physics 2026-02-18 Sascha Diefenbacher , Anna Hallin , Gregor Kasieczka , Michael Krämer , Anne Lauscher , Tim Lukas

Drug discovery frequently loses momentum when data, expertise, and tools are scattered, slowing design cycles. To shorten this loop we built a hierarchical, tool using agent framework that automates molecular optimisation. A Principal…

Machine Learning · Computer Science 2025-08-06 Atabey Ünlü , Phil Rohr , Ahmet Celebi

The rapid advancement of large language models (LLMs) has paved the way for the development of highly capable autonomous agents. However, existing multi-agent frameworks often struggle with integrating diverse capable third-party agents due…

Computation and Language · Computer Science 2024-07-11 Weize Chen , Ziming You , Ran Li , Yitong Guan , Chen Qian , Chenyang Zhao , Cheng Yang , Ruobing Xie , Zhiyuan Liu , Maosong Sun

We introduce AI2Apps, a Visual Integrated Development Environment (Visual IDE) with full-cycle capabilities that accelerates developers to build deployable LLM-based AI agent Applications. This Visual IDE prioritizes both the Integrity of…

Artificial Intelligence · Computer Science 2024-04-09 Xin Pang , Zhucong Li , Jiaxiang Chen , Yuan Cheng , Yinghui Xu , Yuan Qi

While "Intent-oriented programming" (or "Vibe Coding") redefines software engineering, existing code agents remain tethered to static code snapshots. Consequently, they struggle to model the critical information embedded in the temporal…

Machine Learning · Computer Science 2026-03-17 Yi-Xuan Deng , Xiaoqin Liu , Yi Zhang , Guo-Wei Yang , Shuojin Yang

In this white paper, we present AlphaEvolve, an evolutionary coding agent that substantially enhances capabilities of state-of-the-art LLMs on highly challenging tasks such as tackling open scientific problems or optimizing critical pieces…

LLMs have shown immense potential for code translation, yet they often struggle to ensure both syntactic correctness and semantic consistency. While preference-based learning offers a promising alignment strategy, it is hindered by…

Artificial Intelligence · Computer Science 2026-05-14 Yuhan Wu , Huan Zhang , Wei Cheng , Chen Shen , Jingyue Yang , Wei Hu

The rapid advancement of artificial intelligence, particularly autonomous agentic systems based on Large Language Models (LLMs), presents new opportunities to accelerate drug discovery by improving in-silico modeling and reducing dependence…

Autonomous, goal-driven agents powered by LLMs have recently emerged as promising tools for solving challenging problems without the need for task-specific finetuned models that can be expensive to procure. Currently, the design and…

Designing de novo proteins beyond those found in nature holds significant promise for advancements in both scientific and engineering applications. Current methodologies for protein design often rely on AI-based models, such as surrogate…

Soft Condensed Matter · Physics 2024-02-08 A. Ghafarollahi , M. J. Buehler