English
Related papers

Related papers: Benchmarking Agentic Systems in Automated Scientif…

200 papers

The convergence of artificial intelligence and materials science presents a transformative opportunity, but achieving true acceleration in discovery requires moving beyond task-isolated, fine-tuned models toward agentic systems that plan,…

Deep reasoning is fundamental for solving complex tasks, especially in vision-centric scenarios that demand sequential, multimodal understanding. However, existing benchmarks typically evaluate agents with fully synthetic, single-turn…

With the increasing interest in robotic synthesis in the context of organic chemistry, the automated extraction of chemical procedures from literature is critical. However, this task remains challenging due to the inherent ambiguity of…

Artificial Intelligence · Computer Science 2025-07-02 Yu Zhang , Ruijie Yu , Jidong Tian , Feng Zhu , Jiapeng Liu , Xiaokang Yang , Yaohui Jin , Yanyan Xu

Information retrieval is a cornerstone of modern knowledge acquisition, enabling billions of queries each day across diverse domains. However, traditional keyword-based search engines are increasingly inadequate for handling complex,…

Recent advances in large language models (LLMs) have enabled agentic systems that translate natural language intent into executable scientific visualization (SciVis) tasks. Despite rapid progress, the community lacks a principled and…

Fully autonomous science has long been a defining ambition for artificial intelligence in materials discovery, yet its realization requires more than automating isolated calculations. In computational catalysis, a system autonomously…

Materials Science · Physics 2026-05-13 Honghao Chen , Jiangjie Qiu , Yi Shen Tew , Xiaonan Wang

We introduce Agentic Reasoning, a framework that enhances large language model (LLM) reasoning by integrating external tool-using agents. Agentic Reasoning dynamically leverages web search, code execution, and structured memory to address…

Artificial Intelligence · Computer Science 2025-07-16 Junde Wu , Jiayuan Zhu , Yuyuan Liu , Min Xu , Yueming Jin

The rise of agentic AI systems, where agents collaborate to perform diverse tasks, poses new challenges with observing, analyzing and optimizing their behavior. Traditional evaluation and benchmarking approaches struggle to handle the…

Artificial Intelligence · Computer Science 2025-03-11 Dany Moshkovich , Hadar Mulian , Sergey Zeltyn , Natti Eder , Inna Skarbovsky , Roy Abitbol

Language models are revolutionizing the biochemistry domain, assisting scientists in drug design and chemical synthesis with high efficiency. Yet current approaches struggle between small language models prone to hallucination and limited…

Machine Learning · Computer Science 2026-02-02 Hao Li , He Cao , Shenyao Peng , Zijing Liu , Bin Feng , Yu Wang , Zhiyuan Yan , Yonghong Tian , Yu Li , Li Yuan

The integration of Large Language Models (LLMs) into software engineering has driven a transition from traditional rule-based systems to autonomous agentic systems capable of solving complex problems. However, systematic progress is…

Software Engineering · Computer Science 2025-10-24 Jiale Guo , Suizhi Huang , Mei Li , Dong Huang , Xingsheng Chen , Regina Zhang , Zhijiang Guo , Han Yu , Siu-Ming Yiu , Pietro Lio , Kwok-Yan Lam

Recently, large language model (LLM)-based agents have achieved significant success in interactive environments, attracting significant academic and industrial attention. Despite these advancements, current research predominantly focuses on…

Computation and Language · Computer Science 2025-05-22 Peng Wang , Ruihan Tao , Qiguang Chen , Mengkang Hu , Libo Qin

Agents powered by large language models (LLMs) are increasingly adopted in the software industry, contributing code as collaborators or even autonomous developers. As their presence grows, it becomes important to assess the current…

Software Engineering · Computer Science 2026-02-12 Qixing Zhou , Jiacheng Zhang , Haiyang Wang , Rui Hao , Jiahe Wang , Minghao Han , Yuxue Yang , Shuzhe Wu , Feiyang Pan , Lue Fan , Dandan Tu , Zhaoxiang Zhang

AI agents hold the potential to revolutionize scientific productivity by automating literature reviews, replicating experiments, analyzing data, and even proposing new directions of inquiry; indeed, there are now many such agents, ranging…

LLM-based reasoning models have enabled the development of agentic systems that act as co-scientists, assisting in multi-step scientific analysis. However, evaluating these systems is challenging, as it requires realistic, end-to-end…

Machine Learning · Computer Science 2026-02-24 Siba Smarak Panigrahi , Jovana Videnović , Maria Brbić

Existing AI-generated text detection methods heavily depend on large annotated datasets and external threshold tuning, restricting interpretability, adaptability, and zero-shot effectiveness. To address these limitations, we propose…

Computation and Language · Computer Science 2025-05-22 Jiatao Li , Mao Ye , Cheng Peng , Xunjian Yin , Xiaojun Wan

We present AgenticRAG, a practical agentic harness for retrieval and analysis over enterprise knowledge bases. Standard RAG pipelines place significant burden of grounding on the search stack, constraining the language model to a fixed…

Artificial Intelligence · Computer Science 2026-05-08 Susheel Suresh , Hazel Mak , Shangpo Chou , Fred Kroon , Sahil Bhatnagar

LLM agents are rapidly becoming the practical interface for task automation, yet the ecosystem lacks a principled way to choose among an exploding space of deployable configurations. Existing LLM leaderboards and tool/agent benchmarks…

Artificial Intelligence · Computer Science 2026-03-05 Yunxiao Shi , Wujiang Xu , Tingwei Chen , Haoning Shang , Ling Yang , Yunfeng Wan , Zhuo Cao , Xing Zi , Dimitris N. Metaxas , Min Xu

Large language models (LLMs) have emerged as powerful tools in chemistry, significantly impacting molecule design, property prediction, and synthesis optimization. This review highlights LLM capabilities in these domains and their potential…

Machine Learning · Computer Science 2024-11-18 Mayk Caldas Ramos , Christopher J. Collison , Andrew D. White

The advancements of large language models (LLMs) have piqued growing interest in developing LLM-based language agents to automate scientific discovery end-to-end, which has sparked both excitement and skepticism about their true…

The relation extraction (RE) in complex scenarios faces challenges such as diverse relation types and ambiguous relations between entities within a single sentence, leading to the poor performance of pure "text-in, text-out" language models…

Computation and Language · Computer Science 2024-09-04 Yuchen Shi , Guochao Jiang , Tian Qiu , Deqing Yang