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Large Language Model (LLM) agents have shown great potential in addressing real-world data science problems. LLM-driven data science agents promise to automate the entire machine learning pipeline, yet their real-world effectiveness remains…

Computation and Language · Computer Science 2025-10-09 Yixin Ou , Yujie Luo , Jingsheng Zheng , Lanning Wei , Zhuoyun Yu , Shuofei Qiao , Jintian Zhang , Da Zheng , Yuren Mao , Yunjun Gao , Huajun Chen , Ningyu Zhang

Optimizing large-scale machine learning systems, such as recommendation models for global video platforms, requires navigating a massive hyperparameter search space and, more critically, designing sophisticated optimizers, architectures,…

Machine Learning · Computer Science 2026-02-12 Haochen Wang , Yi Wu , Daryl Chang , Li Wei , Lukasz Heldt

Advances in large language models (LLMs) have recently opened new and promising avenues for small-molecule drug discovery. Yet existing LLM-based approaches for molecular generation often suffer from high rates of invalid and low-quality…

Machine Learning · Computer Science 2026-05-15 Andrew Y. Zhou , Sharvaree Vadgama , Sumanth Varambally , Peter Eckmann , Michael K. Gilson , Rose Yu

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…

The rise of Large Reasoning Models (LRMs) signifies a paradigm shift toward advanced computational reasoning. Yet, this progress disrupts traditional agent frameworks, traditionally anchored by execution-oriented Large Language Models…

Artificial Intelligence · Computer Science 2025-05-28 Xueyang Zhou , Guiyao Tie , Guowen Zhang , Weidong Wang , Zhigang Zuo , Di Wu , Duanfeng Chu , Pan Zhou , Neil Zhenqiang Gong , Lichao Sun

Deep research has revolutionized data analysis, yet data scientists still devote substantial time to manually crafting visualizations, highlighting the need for robust automation from natural language queries. However, current systems…

Artificial Intelligence · Computer Science 2025-10-06 Zichen Chen , Jiefeng Chen , Sercan Ö. Arik , Misha Sra , Tomas Pfister , Jinsung Yoon

Retrieval-Augmented Generation (RAG) enables large language models (LLMs) to access external knowledge sources, but the effectiveness of RAG relies on the coordination between the retriever and the generator. Since these components are…

Computation and Language · Computer Science 2025-09-24 Junlin Wang , Zehao Wu , Shaowei Lu , Yanlan Li , Xinghao Huang

Large language models (LLMs) have demonstrated exceptional potential in complex reasoning,pioneering a new paradigm for autonomous agent decision making in dynamic settings. However, in Real-Time Strategy (RTS) scenarios, LLMs suffer from a…

Multiagent Systems · Computer Science 2026-03-26 Li Ma , Hao Peng , Yiming Wang , Hongbin Luo , Jie Liu , Kongjing Gu , Guanlin Wu , Hui Lin , Lei Ren

Recent advances in Large Language Models (LLMs) demonstrate that chain-of-thought prompting and deep reasoning substantially enhance performance on complex tasks, and multi-agent systems can further improve accuracy by enabling model…

Artificial Intelligence · Computer Science 2025-10-16 Zehui Ling , Deshu Chen , Yichi Zhang , Yuchen Liu , Xigui Li , Xin Guo , Yuan Cheng

Large Language Models (LLMs) have revolutionized Natural Language Processing but exhibit limitations, particularly in autonomously addressing novel challenges such as reasoning and problem-solving. Traditional techniques like…

Multiagent Systems · Computer Science 2024-01-03 Sumedh Rasal

With software maintenance accounting for 50% of the cost of developing software, enhancing code quality and reliability has become more critical than ever. In response to this challenge, this doctoral research proposal aims to explore…

Software Engineering · Computer Science 2024-06-25 Fernando Vallecillos Ruiz

Vision-language agents have achieved remarkable progress in a variety of multimodal reasoning tasks; however, their learning remains constrained by the limitations of human-annotated supervision. Recent self-rewarding approaches attempt to…

Computer Vision and Pattern Recognition · Computer Science 2025-11-27 Jiaqi Liu , Kaiwen Xiong , Peng Xia , Yiyang Zhou , Haonian Ji , Lu Feng , Siwei Han , Mingyu Ding , Huaxiu Yao

Software engineers resolving repository-level issues do not treat existing tests as immutable correctness oracles. Instead, they iteratively refine both code and the tests used to characterize intended behavior, as new modifications expose…

Software Engineering · Computer Science 2026-04-07 Kefan Li , Yuan Yuan , Mengfei Wang , Shihao Zheng , Wei Wang , Ping Yang , Mu Li , Weifeng Lv

Recent months have seen the emergence of a powerful new trend in which large language models (LLMs) are augmented to become autonomous language agents capable of performing objective oriented multi-step tasks on their own, rather than…

Large language model based multi-agent systems have demonstrated significant potential in social simulation and complex task resolution domains. However, current frameworks face critical challenges in system architecture design,…

Recent research on Reasoning of Large Language Models (LLMs) has sought to further enhance their performance by integrating meta-thinking -- enabling models to monitor, evaluate, and control their reasoning processes for more adaptive and…

Artificial Intelligence · Computer Science 2025-05-28 Ziyu Wan , Yunxiang Li , Xiaoyu Wen , Yan Song , Hanjing Wang , Linyi Yang , Mark Schmidt , Jun Wang , Weinan Zhang , Shuyue Hu , Ying Wen

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

Solving mathematical reasoning problems requires not only accurate access to relevant knowledge but also careful, multi-step thinking. However, current retrieval-augmented models often rely on a single perspective, follow inflexible search…

Artificial Intelligence · Computer Science 2025-11-03 Ali Asgarov , Umid Suleymanov , Aadyant Khatri

Large language models (LLMs) have recently emerged as promising tools for solving challenging robotic tasks, even in the presence of action and observation uncertainties. Recent LLM-based decision-making methods (also referred to as…

Artificial Intelligence · Computer Science 2024-09-20 Abhinav Jain , Chris Jermaine , Vaibhav Unhelkar

Autonomous agents play a crucial role in advancing Artificial General Intelligence, enabling problem decomposition and tool orchestration through Large Language Models (LLMs). However, existing paradigms face a critical trade-off. On one…

Artificial Intelligence · Computer Science 2025-09-03 Jinzhou Tang , Jusheng Zhang , Qinhan Lv , Sidi Liu , Jing Yang , Chengpei Tang , Keze Wang
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