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The automation of chemical research through self-driving laboratories (SDLs) promises to accelerate scientific discovery, yet the reliability and granular performance of the underlying AI agents remain critical, under-examined challenges.…

Artificial Intelligence · Computer Science 2025-10-01 Gihan Panapitiya , Emily Saldanha , Heather Job , Olivia Hess

Significant scientific discoveries have driven the progress of human civilisation. The explosion of scientific literature and data has created information barriers across disciplines that have slowed the pace of scientific discovery. Large…

Computation and Language · Computer Science 2023-11-13 Biqing Qi , Kaiyan Zhang , Haoxiang Li , Kai Tian , Sihang Zeng , Zhang-Ren Chen , Bowen Zhou

The emergence of agent-based systems represents a significant advancement in artificial intelligence, with growing applications in automated data extraction. However, chemical information extraction remains a formidable challenge due to the…

Recent work has shown how predictive modeling can endow agents with rich knowledge of their surroundings, improving their ability to act in complex environments. We propose question-answering as a general paradigm to decode and understand…

We present PULSE, a medical reasoning agent that combines a domain-tuned large language model with scientific literature retrieval to support diagnostic decision-making in complex real-world cases. To evaluate its capabilities, we curated a…

Computation and Language · Computer Science 2026-03-19 Zhongzhen Huang , Yan Ling , Hong Chen , Ye Feng , Li Wu , Linjie Mu , Shaoting Zhang , Xiaofan Zhang , Kun Qian , Xiaomu Li

Current Large Language Model (LLM) approaches for information extraction (IE) in the healthy food policy domain are often hindered by various factors, including misinformation, specifically hallucinations, misclassifications, and omissions…

Artificial Intelligence · Computer Science 2026-04-03 Congjing Zhang , Ruoxuan Bao , Jingyu Li , Yoav Ackerman , Shuai Huang , Yanfang Su

Artificial intelligence is reshaping scientific exploration, but most methods automate procedural tasks without engaging in scientific reasoning, limiting autonomy in discovery. We introduce Materials Agents for Simulation and Theory in…

Large Language Models (LLMs) are catalyzing a paradigm shift in scientific discovery, evolving from task-specific automation tools into increasingly autonomous agents and fundamentally redefining research processes and human-AI…

Computation and Language · Computer Science 2025-09-18 Tianshi Zheng , Zheye Deng , Hong Ting Tsang , Weiqi Wang , Jiaxin Bai , Zihao Wang , Yangqiu Song

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

Large Language Model (LLM) Agents leverage the advanced reasoning capabilities of LLMs in real-world applications. To interface with an environment, these agents often rely on tools, such as web search or database APIs. As the agent…

Artificial Intelligence · Computer Science 2025-03-12 Ivan Milev , Mislav Balunović , Maximilian Baader , Martin Vechev

Predictive analysis is a cornerstone of modern decision-making, with applications in various domains. Large Language Models (LLMs) have emerged as powerful tools in enabling nuanced, knowledge-intensive conversations, thus aiding in complex…

Computation and Language · Computer Science 2025-05-26 Qin Chen , Yuanyi Ren , Xiaojun Ma , Yuyang Shi

As agent-based systems continue to evolve, deep research agents are capable of automatically generating research-style reports across diverse domains. While these agents promise to streamline information synthesis and knowledge exploration,…

Artificial Intelligence · Computer Science 2026-04-08 Yi Yuan , Xuhong Wang , Shanzhe Lei

In the rapidly evolving landscape of online recipe sharing within a globalized context, there has been a notable surge in research towards comprehending and generating food recipes. Recent advancements in large language models (LLMs) like…

Computation and Language · Computer Science 2024-09-02 Fnu Mohbat , Mohammed J. Zaki

Information technology has profoundly altered the way humans interact with information. The vast amount of content created, shared, and disseminated online has made it increasingly difficult to access relevant information. Over the past two…

Information Retrieval · Computer Science 2025-04-14 Yu Zhang , Shutong Qiao , Jiaqi Zhang , Tzu-Heng Lin , Chen Gao , Yong Li

The BrowserGym ecosystem addresses the growing need for efficient evaluation and benchmarking of web agents, particularly those leveraging automation and Large Language Models (LLMs). Many existing benchmarks suffer from fragmentation and…

Large Language Models (LLMs) have emerged as a transformative power in enhancing natural language comprehension, representing a significant stride toward artificial general intelligence. The application of LLMs extends beyond conventional…

With the rise of large language models (LLMs), LLM agents capable of autonomous reasoning, planning, and executing complex tasks have become a frontier in artificial intelligence. However, how to translate the research on general agents…

With the advent of large multimodal language models, science is now at a threshold of an AI-based technological transformation. An emerging ecosystem of models and tools aims to support researchers throughout the scientific lifecycle,…

TRIZ, the Theory of Inventive Problem Solving, is a structured, knowledge-based framework for innovation and abstracting problems to find inventive solutions. However, its application is often limited by the complexity and deep…

Artificial Intelligence · Computer Science 2025-06-24 Kamil Szczepanik , Jarosław A. Chudziak

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