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Single-agent systems (SAS) have become the default pattern for LLM-driven scientific workflows, but routing planning, tool use, and synthesis through a single context window comes with a well-known cost: as tool specifications and…

Artificial Intelligence · Computer Science 2026-05-05 Jinpai Zhao , Albert Cerrone , Joannes Westerink , Clint Dawson

Autonomous laboratories promise to accelerate discovery by coupling learning algorithms with robotic experimentation, yet adoption remains limited by fragmented software that separates high-level planning from low-level execution. Here we…

Computational Engineering, Finance, and Science · Computer Science 2025-12-29 Jing Gao , Junhan Chang , Haohui Que , Yanfei Xiong , Shixiang Zhang , Xianwei Qi , Zhen Liu , Jun-Jie Wang , Qianjun Ding , Xinyu Li , Ziwei Pan , Qiming Xie , Zhuang Yan , Junchi Yan , Linfeng Zhang

Answering natural language (NL) questions about tables, known as Tabular Question Answering (TQA), is crucial because it allows users to quickly and efficiently extract meaningful insights from structured data, effectively bridging the gap…

Computation and Language · Computer Science 2025-07-10 Meihao Fan , Ju Fan , Nan Tang , Lei Cao , Guoliang Li , Xiaoyong Du

Multimodal artificial intelligence (AI) systems have the potential to enhance clinical decision-making by interpreting various types of medical data. However, the effectiveness of these models across all medical fields is uncertain. Each…

Olympiad-level benchmarks in mathematics and physics are crucial testbeds for advanced AI reasoning, but chemistry, with its unique multimodal symbolic language, has remained an open challenge. We introduce ChemO, a new benchmark built from…

Artificial Intelligence · Computer Science 2025-12-10 Qiang Xu , Shengyuan Bai , Leqing Chen , Zijing Liu , Yu Li

LLM-based agents have demonstrated strong potential for autonomous machine learning, yet their applicability to health data remains limited. Existing systems often struggle to generalize across heterogeneous health data modalities, rely…

Artificial Intelligence · Computer Science 2026-02-03 Tong Xia , Weibin Li , Gang Liu , Yong Li

We introduce DriveAgent, a novel multi-agent autonomous driving framework that leverages large language model (LLM) reasoning combined with multimodal sensor fusion to enhance situational understanding and decision-making. DriveAgent…

Robotics · Computer Science 2025-05-06 Xinmeng Hou , Wuqi Wang , Long Yang , Hao Lin , Jinglun Feng , Haigen Min , Xiangmo Zhao

We present AgentOptics, an agentic AI framework for high-fidelity, autonomous optical system control built on the Model Context Protocol (MCP). AgentOptics interprets natural language tasks and executes protocol-compliant actions on…

Recent large language models (LLMs) are promising for making decisions in grounded environments. However, LLMs frequently fail in complex decision-making tasks due to the misalignment between the pre-trained knowledge in LLMs and the actual…

Computation and Language · Computer Science 2023-10-27 Siqi Ouyang , Lei Li

Existing LLM agents for computational materials science are constrained by pipeline-bounded architectures tied to specific simulation codes and by dependence on manually written tool functions that grow with task scope. We present MatClaw,…

Materials Science · Physics 2026-05-25 Chenmu Zhang , Boris I. Yakobson

Large language models (LLMs) have shown promise in medical domains, but their ability to handle specialized neurological reasoning requires systematic evaluation. We developed a comprehensive benchmark using 305 questions from Israeli Board…

Information Retrieval · Computer Science 2025-08-21 Moran Sorka , Alon Gorenshtein , Dvir Aran , Shahar Shelly

Large Language Models (LLM) based agents have shown promise in autonomously completing tasks across various domains, e.g., robotics, games, and web navigation. However, these agents typically require elaborate design and expert prompts to…

Artificial Intelligence · Computer Science 2024-11-12 Minghao Chen , Yihang Li , Yanting Yang , Shiyu Yu , Binbin Lin , Xiaofei He

Agentic AI systems integrating large language models (LLMs) with reasoning and tooluse capabilities are transforming various domains - in particular, software development. In contrast, their application in chemical process flowsheet…

Artificial Intelligence · Computer Science 2026-03-16 Pascal Schäfer , Lukas J. Krinke , Martin Wlotzka , Norbert Asprion

Large Language Models (LLMs) are transforming artificial intelligence, evolving into task-oriented systems capable of autonomous planning and execution. One of the primary applications of LLMs is conversational AI systems, which must…

Computation and Language · Computer Science 2025-01-22 Elad Levi , Ilan Kadar

Connected and autonomous driving is developing rapidly in recent years. However, current autonomous driving systems, which are primarily based on data-driven approaches, exhibit deficiencies in interpretability, generalization, and…

Artificial Intelligence · Computer Science 2024-04-23 Senkang Hu , Zhengru Fang , Zihan Fang , Yiqin Deng , Xianhao Chen , Yuguang Fang

Large Reasoning Models (LRMs) like o3 and DeepSeek-R1 have achieved remarkable progress in reasoning tasks with long cot. However, they remain computationally inefficient and struggle with accuracy when solving problems requiring complex…

Artificial Intelligence · Computer Science 2026-03-03 Haipeng Luo , Huawen Feng , Qingfeng Sun , Can Xu , Kai Zheng , Yufei Wang , Tao Yang , Han Hu , Yansong Tang

Agentic AI represents a major shift in how autonomous systems reason, plan, and execute multi-step tasks through the coordination of Large Language Models (LLMs), Vision Language Models (VLMs), tools, and external services. While these…

The adoption of machine learning (ML) and deep learning methods has revolutionized molecular medicine by driving breakthroughs in genomics, transcriptomics, drug discovery, and biological systems modeling. The increasing quantity,…

Large Language Model (LLM)-based multi-agent systems are increasingly applied to automate computational workflows in science and engineering. However, how inter-agent dynamics influence reasoning quality and verification reliability remains…

Artificial Intelligence · Computer Science 2025-11-07 Chuan Tian , Yilei Zhang

Recent progress in Large Language Models (LLMs) has drawn attention to their potential for accelerating drug discovery. However, a central problem remains: translating theoretical ideas into robust implementations in the highly specialized…

Machine Learning · Computer Science 2025-03-06 Sizhe Liu , Yizhou Lu , Siyu Chen , Xiyang Hu , Jieyu Zhao , Yingzhou Lu , Yue Zhao
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