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Vision-Language Models (VLMs) show promise for autonomous driving, yet their struggle with hallucinations, inefficient reasoning, and limited real-world validation hinders accurate perception and robust step-by-step reasoning. To overcome…

Human-level driving is an ultimate goal of autonomous driving. Conventional approaches formulate autonomous driving as a perception-prediction-planning framework, yet their systems do not capitalize on the inherent reasoning ability and…

Computer Vision and Pattern Recognition · Computer Science 2024-07-30 Jiageng Mao , Junjie Ye , Yuxi Qian , Marco Pavone , Yue Wang

Transformer-based large language models are rapidly advancing in the field of machine learning research, with applications spanning natural language, biology, chemistry, and computer programming. Extreme scaling and reinforcement learning…

Chemical Physics · Physics 2023-04-12 Daniil A. Boiko , Robert MacKnight , Gabe Gomes

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

Chemical process optimization maximizes production efficiency and economic performance, but optimization algorithms, including gradient-based solvers, numerical methods, and parameter grid searches, become impractical when operating…

Machine Learning · Computer Science 2025-10-17 Tong Zeng , Srivathsan Badrinarayanan , Janghoon Ock , Cheng-Kai Lai , Amir Barati Farimani

We present AlphaLab, an autonomous research harness that leverages frontier LLM agentic capabilities to automate the full experimental cycle in quantitative, computation-intensive domains. Given only a dataset and a natural-language…

Large Language Models (LLMs) have extended their impact beyond Natural Language Processing, substantially fostering the development of interdisciplinary research. Recently, various LLM-based agents have been developed to assist scientific…

Large language models are increasingly deployed as autonomous coding agents and have achieved remarkably strong performance on software engineering benchmarks. However, it is unclear whether such success transfers to computational…

Large Language Model (LLM)-based agents are increasingly employed to automate complex software engineering tasks, such as program repair and issue resolution. These agents operate by autonomously generating natural language thoughts,…

Software Engineering · Computer Science 2025-10-09 Islem Bouzenia , Michael Pradel

As AI agents evolve, the community is rapidly shifting from single Large Language Models (LLMs) to Multi-Agent Systems (MAS) to overcome cognitive bottlenecks in automated research. However, the optimal multi-agent coordination framework…

Multiagent Systems · Computer Science 2026-05-12 Yang Shen , Zhenyi Yi , Ziyi Zhao , Lijun Sun , Dongyang Li , Chin-Teng Lin , Yuhui Shi

Recent advancements in Large Language Models (LLMs) have shown significant progress in understanding complex natural language. One important application of LLM is LLM-based AI Agent, which leverages the ability of LLM as well as external…

Computation and Language · Computer Science 2024-07-19 Zelong Li , Shuyuan Xu , Kai Mei , Wenyue Hua , Balaji Rama , Om Raheja , Hao Wang , He Zhu , Yongfeng Zhang

Chemical reasoning usually involves complex, multi-step processes that demand precise calculations, where even minor errors can lead to cascading failures. Furthermore, large language models (LLMs) encounter difficulties handling…

Computation and Language · Computer Science 2025-01-14 Xiangru Tang , Tianyu Hu , Muyang Ye , Yanjun Shao , Xunjian Yin , Siru Ouyang , Wangchunshu Zhou , Pan Lu , Zhuosheng Zhang , Yilun Zhao , Arman Cohan , Mark Gerstein

We present Claw AI Lab, a lab-native autonomous research platform that advances automated research from a hidden prompt-to-paper pipeline into an interactive AI laboratory. Rather than centering the system around a single agent or a fixed…

Artificial Intelligence · Computer Science 2026-05-22 Fan Wu , Cheng Chen , Zhenshan Tan , Taiyu Zhang , Xinzhen Xu , Yanyu Qian , Dingcheng Gao , Lanyun Zhu , Qi Zhu , Yi Tan , Deyi Ji , Guosheng Lin , Tianrun Chen , Deheng Ye , Fayao Liu

While logical reasoning evaluation of Large Language Models (LLMs) has attracted significant attention, existing benchmarks predominantly rely on multiple-choice formats that are vulnerable to random guessing, leading to overestimated…

Computation and Language · Computer Science 2025-02-25 Qin Zhu , Fei Huang , Runyu Peng , Keming Lu , Bowen Yu , Qinyuan Cheng , Xipeng Qiu , Xuanjing Huang , Junyang Lin

Scientific Machine Learning (SciML) integrates data-driven inference with physical modeling to solve complex problems in science and engineering. However, the design of SciML architectures, loss formulations, and training strategies remains…

Artificial Intelligence · Computer Science 2026-02-17 Qile Jiang , George Karniadakis

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

Recent progress in autonomous code generation has fueled excitement around AI agents capable of accelerating scientific discovery by running experiments. However, there is currently no benchmark that evaluates whether such agents can…

Artificial Intelligence · Computer Science 2025-06-25 Gyeongwon James Kim , Alex Wilf , Louis-Philippe Morency , Daniel Fried

The rapid advancement of large language models (LLMs) has sparked growing interest in their integration into autonomous systems for reasoning-driven perception, planning, and decision-making. However, evaluating and training such agentic AI…

Artificial Intelligence · Computer Science 2026-01-26 Mohamed Amine Ferrag , Abderrahmane Lakas , Merouane Debbah

The development of high-level autonomous driving (AD) is shifting from perception-centric limitations to a more fundamental bottleneck, namely, a deficit in robust and generalizable reasoning. Although current AD systems manage structured…

Artificial Intelligence · Computer Science 2026-03-13 Kejin Yu , Yuhan Sun , Taiqiang Wu , Ruixu Zhang , Zhiqiang Lin , Yuxin Meng , Junjie Wang , Yujiu Yang

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…