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Large language models (LLMs) have demonstrated strong coding capabilities but still struggle to solve competitive programming problems correctly in a single attempt. Execution-based re-ranking offers a promising test-time scaling strategy,…

Computation and Language · Computer Science 2026-02-05 Zeyao Ma , Jing Zhang , Xiaokang Zhang , Jiaxi Yang , Zongmeng Zhang , Jiajun Zhang , Yuheng Jing , Lei Zhang , Hao Zheng , Wenting Zhao , Junyang Lin , Binyuan Hui

Large Language Models have seen increasing use in various software development tasks, especially in code generation. The most advanced recent methods attempt to incorporate feedback from code execution into prompts to help guide LLMs in…

Software Engineering · Computer Science 2025-07-31 Hamed Taherkhani , Melika Sepindband , Hung Viet Pham , Song Wang , Hadi Hemmati

Large Language Models (LLMs) have emerged as powerful tools for accelerating scientific discovery, yet their static knowledge and hallucination issues hinder autonomous research applications. Recent advances integrate LLMs into agentic…

Artificial Intelligence · Computer Science 2025-12-23 Zeyu Xia , Jinzhe Ma , Congjie Zheng , Shufei Zhang , Yuqiang Li , Hang Su , P. Hu , Changshui Zhang , Xingao Gong , Wanli Ouyang , Lei Bai , Dongzhan Zhou , Mao Su

Skills have become the de facto way to enable LLM agents to perform complex real-world tasks with customized instructions, workflows, and tools, but how to learn them automatically and effectively remains unclear. We introduce…

Computation and Language · Computer Science 2026-04-23 Shanshan Zhong , Yi Lu , Jingjie Ning , Yibing Wan , Lihan Feng , Yuyi Ao , Leonardo F. R. Ribeiro , Markus Dreyer , Sean Ammirati , Chenyan Xiong

Task planning, the problem of sequencing actions to reach a goal from an initial state, is a core capability requirement for autonomous robotic systems. Whether large language models (LLMs) can serve as viable planners alongside classical…

Artificial Intelligence · Computer Science 2026-03-09 Kai Göbel , Pierrick Lorang , Patrik Zips , Tobias Glück

Large language models (LLMs) can generate code rapidly but remain unreliable for scientific algorithms whose correctness depends on structural assumptions rarely explicit in the source literature. We introduce a multi-stage LLM-assisted…

Computational Physics · Physics 2026-04-13 Yi Zhou

Agentic workflows are composed of sequences of interdependent Large Language Model (LLM) calls, and they have become a dominant workload in modern AI systems. These workflows exhibit extensive redundancy from overlapping prompts and…

Multiagent Systems · Computer Science 2026-03-18 Noppanat Wadlom , Junyi Shen , Yao Lu

Large language model (LLM) agents currently depend on predefined tools or early-stage tool generation, limiting their adaptability and scalability to complex scientific tasks. We introduce CASCADE, a self-evolving agentic framework…

Artificial Intelligence · Computer Science 2026-01-29 Xu Huang , Junwu Chen , Yuxing Fei , Zhuohan Li , Philippe Schwaller , Gerbrand Ceder

As LLM agents scale to long-horizon, multi-session deployments, efficiently managing accumulated experience becomes a critical bottleneck. Agent memory systems and agent skill discovery both address this challenge -- extracting reusable…

Artificial Intelligence · Computer Science 2026-04-20 Xing Zhang , Guanghui Wang , Yanwei Cui , Wei Qiu , Ziyuan Li , Bing Zhu , Peiyang He

We introduce AegisLLM, a cooperative multi-agent defense against adversarial attacks and information leakage. In AegisLLM, a structured workflow of autonomous agents - orchestrator, deflector, responder, and evaluator - collaborate to…

Machine Learning · Computer Science 2025-06-17 Zikui Cai , Shayan Shabihi , Bang An , Zora Che , Brian R. Bartoldson , Bhavya Kailkhura , Tom Goldstein , Furong Huang

Reusable skills have become a core substrate for improving agent capabilities, yet most existing skill packages encode reusable behavior primarily as textual prompts, executable code, or learned routines. For visual agents, however,…

Artificial Intelligence · Computer Science 2026-05-15 Kangning Zhang , Shuai Shao , Qingyao Li , Jianghao Lin , Lingyue Fu , Shijian Wang , Wenxiang Jiao , Yuan Lu , Weiwen Liu , Weinan Zhang , Yong Yu

The efficiency of GPU kernels is central to the progress of modern AI, yet optimizing them remains a difficult and labor-intensive task due to complex interactions between memory hierarchies, thread scheduling, and hardware-specific…

Artificial Intelligence · Computer Science 2025-10-21 Juncheng Dong , Yang Yang , Tao Liu , Yang Wang , Feng Qi , Vahid Tarokh , Kaushik Rangadurai , Shuang Yang

Tool use has turned large language models (LLMs) into powerful agents that can perform complex multi-step tasks by dynamically utilising external software components. However, these tools must be implemented in advance by human developers,…

Computation and Language · Computer Science 2025-06-02 Georg Wölflein , Dyke Ferber , Daniel Truhn , Ognjen Arandjelović , Jakob Nikolas Kather

Computational materials science and chemistry span vast knowledge domains and fractured software ecosystems. Although large language models (LLMs) have demonstrated research capabilities, scaling monolithic agents to manage the rigor and…

A burgeoning area within reinforcement learning (RL) is the design of sequential decision-making agents centered around large language models (LLMs). While autonomous decision-making agents powered by modern LLMs could facilitate numerous…

Machine Learning · Computer Science 2026-02-10 Dilip Arumugam , Thomas L. Griffiths

Large language models (LLMs) often generate code that is functionally correct but inefficient in runtime and memory. Prior approaches to improving code efficiency typically rely on absolute execution feedback, such as profiling a single…

Programming Languages · Computer Science 2026-04-08 Samira Hajizadeh , Suman Jana

Large language models (LLMs) have achieved remarkable progress in automatic code generation, yet their ability to produce high-performance code remains limited--a critical requirement in real-world software systems. We argue that current…

Software Engineering · Computer Science 2026-05-11 Jiuding Yang , Shengyao Lu , Hongxuan Liu , Shayan Shirahmad Gale Bagi , Zahra Fazel , Tomasz Czajkowski , Di Niu

This paper addresses the challenges of efficiently fine-tuning large language models (LLMs) by exploring data efficiency and hyperparameter optimization. We investigate the minimum data required for effective fine-tuning and propose a novel…

Computation and Language · Computer Science 2024-07-22 Michael Oliver , Guan Wang

Large language model (LLM) agent systems are increasingly expected to improve after deployment, but existing work often decouples two adaptation targets: skill evolution and multi-agent system (MAS) restructuring. This separation can create…

Multiagent Systems · Computer Science 2026-05-19 Shuai Pan , Yixiang Liu , Jiaye Gao , Te Gao , Weiwen Liu , Jianghao Lin , Zhihui Fu , Jun Wang , Weinan Zhang , Yong Yu

Competency modeling is widely used in human resource management to select, develop, and evaluate talent. However, traditional expert-driven approaches rely heavily on manual analysis of large volumes of interview transcripts, making them…

Computation and Language · Computer Science 2026-02-16 Silin Du , Manqing Xin , Raymond Jia Wang