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Recent advances in the intrinsic reasoning capabilities of large language models (LLMs) have given rise to LLM-based agent systems that exhibit near-human performance on a variety of automated tasks. However, although these systems share…

Artificial Intelligence · Computer Science 2025-08-26 Bingxi Zhao , Lin Geng Foo , Ping Hu , Christian Theobalt , Hossein Rahmani , Jun Liu

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…

Large language models (LLMs) such as ChatGPT and GPT-4 have demonstrated impressive capabilities in various generative tasks. However, their performance is often hampered by limitations in accessing and leveraging long-term memory, leading…

Artificial Intelligence · Computer Science 2024-07-16 Zhongsheng Wang , Jiamou Liu , Qiming Bao , Hongfei Rong , Jingfeng Zhang

Large Language Models~(LLMs) have demonstrated capabilities across various applications but face challenges such as hallucination, limited reasoning abilities, and factual inconsistencies, especially when tackling complex, domain-specific…

AI tools in pathology have improved screening throughput, standardized quantification, and revealed prognostic patterns that inform treatment. However, adoption remains limited because most systems still lack the human-readable reasoning…

Artificial Intelligence · Computer Science 2025-11-18 Yunqi Hong , Johnson Kao , Liam Edwards , Nein-Tzu Liu , Chung-Yen Huang , Alex Oliveira-Kowaleski , Cho-Jui Hsieh , Neil Y. C. Lin

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

Context: Large Language Model (LLM) agents are becoming widely used for various Requirements Engineering (RE) tasks. Research on improving their accuracy mainly focuses on prompt engineering, model fine-tuning, and retrieval augmented…

Software Engineering · Computer Science 2025-11-20 Marc Oriol , Quim Motger , Jordi Marco , Xavier Franch

Large Language Models (LLMs) have demonstrated impressive performance in natural language processing tasks by leveraging chain of thought (CoT) that enables step-by-step thinking. Extending LLMs with multimodal capabilities is the recent…

Computation and Language · Computer Science 2024-01-24 Debjyoti Mondal , Suraj Modi , Subhadarshi Panda , Rituraj Singh , Godawari Sudhakar Rao

The field of Artificial Intelligence (AI) continues to drive transformative innovations, with significant progress in conversational interfaces, autonomous vehicles, and intelligent content creation. Since the launch of ChatGPT in late…

Computation and Language · Computer Science 2025-01-13 Hussain Ahmad , Diksha Goel

The increasing complexity of modern chemical processes, coupled with workforce shortages and intricate fault scenarios, demands novel automation paradigms that blend symbolic reasoning with adaptive control. In this work, we introduce a…

Artificial Intelligence · Computer Science 2025-07-11 Javal Vyas , Mehmet Mercangoz

The prediction of chemical synthesis pathways plays a pivotal role in materials science research. Challenges, such as the complexity of synthesis pathways and the lack of comprehensive datasets, currently hinder our ability to predict these…

Materials Science · Physics 2023-11-03 Ziyi Chen , Fankai Xie , Meng Wan , Yang Yuan , Miao Liu , Zongguo Wang , Sheng Meng , Yangang Wang

Building precise simulations of the real world and invoking numerical solvers to answer quantitative problems is an essential requirement in engineering and science. We present FEABench, a benchmark to evaluate the ability of large language…

Artificial Intelligence · Computer Science 2025-04-09 Nayantara Mudur , Hao Cui , Subhashini Venugopalan , Paul Raccuglia , Michael P. Brenner , Peter Norgaard

Large language models (LLMs) have recently gained significant attention as a promising approach to accelerate scientific discovery. However, their application in open-ended scientific domains such as biology remains limited, primarily due…

Machine Learning · Computer Science 2026-05-21 Yunhui Jang , Lu Zhu , Jake Fawkes , Alisandra Kaye Denton , Dominique Beaini , Emmanuel Noutahi

Human cognition excels at transcending sensory input and forming latent representations that structure our understanding of the world. While Large Language Model (LLM) agents demonstrate emergent reasoning and decision-making abilities,…

Machine Learning · Computer Science 2026-01-22 Hengguan Huang , Xing Shen , Songtao Wang , Lingfa Meng , Dianbo Liu , David Alejandro Duchene , Hao Wang , Samir Bhatt

With recent Nobel Prizes recognising AI contributions to science, Large Language Models (LLMs) are transforming scientific research by enhancing productivity and reshaping the scientific method. LLMs are now involved in experimental design,…

Difficult decision-making problems abound in various disciplines and domains. The proliferation of generative techniques, especially large language models (LLMs), has excited interest in using them for decision support. However, LLMs cannot…

Artificial Intelligence · Computer Science 2025-09-16 Boris Kovalerchuk , Brent D. Fegley

Recent advances in large language models (LLMs) have opened new avenues for accelerating scientific research. While models are increasingly capable of assisting with routine tasks, their ability to contribute to novel, expert-level…

Large language models (LLMs) have shown impressive promise in code generation, yet their progress remains limited by the shortage of large-scale datasets that are both diverse and well-aligned with human reasoning. Most existing resources…

Machine Learning · Computer Science 2025-10-28 Amal Abed , Ivan Lukic , Jörg K. H. Franke , Frank Hutter

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…

The capacity of Large Language Models (LLMs) to generate valid scientific hypotheses for materials synthesis remains largely unquantified, hindered by the absence of benchmarks probing physicochemical logics reasoning. To address this, we…

Materials Science · Physics 2025-10-01 Yingming Pu , Tao Lin , Hongyu Chen
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