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Large language models (LLMs) are beginning to reshape how chemists plan and run reactions in organic synthesis. Trained on millions of reported transformations, these text-based models can propose synthetic routes, forecast reaction…

Artificial Intelligence · Computer Science 2025-08-08 Kartar Kumar Lohana Tharwani , Rajesh Kumar , Sumita , Numan Ahmed , Yong Tang

This study introduces a groundbreaking approach to simultaneous interpretation by directly leveraging the predictive capabilities of Large Language Models (LLMs). We present a novel algorithm that generates real-time translations by…

Computation and Language · Computer Science 2024-07-22 Kurando Iida , Kenjiro Mimura , Nobuo Ito

Large Language Models (LLMs) have made significant progress in reasoning, demonstrating their capability to generate human-like responses. This study analyzes the problem-solving capabilities of LLMs in the domain of thermodynamics. A…

Computational Engineering, Finance, and Science · Computer Science 2025-12-18 Rebecca Loubet , Pascal Zittlau , Luisa Vollmer , Marco Hoffmann , Sophie Fellenz , Fabian Jirasek , Heike Leitte , Hans Hasse

Large Language Models (LLMs) have become a cornerstone in Natural Language Processing (NLP), achieving impressive performance in text generation. Their token-level representations capture rich, human-aligned semantics. However, pooling…

Computation and Language · Computer Science 2025-09-25 Benedikt Roth , Stephan Rappensperger , Tianming Qiu , Hamza Imamović , Julian Wörmann , Hao Shen

Recent advancements on Large Language Models (LLMs) enable AI Agents to automatically generate and execute multi-step plans to solve complex tasks. However, since LLM's content generation process is hardly controllable, current LLM-based…

Machine Learning · Computer Science 2024-08-13 Zelong Li , Wenyue Hua , Hao Wang , He Zhu , Yongfeng Zhang

Large Language Models (LLMs) have been transformative. They are pre-trained foundational models that are self-supervised and can be adapted with fine tuning to a wide range of natural language tasks, each of which previously would have…

Computation and Language · Computer Science 2023-02-22 Terrence Sejnowski

Planning represents a fundamental capability of intelligent agents, requiring comprehensive environmental understanding, rigorous logical reasoning, and effective sequential decision-making. While Large Language Models (LLMs) have…

Artificial Intelligence · Computer Science 2025-05-27 Pengfei Cao , Tianyi Men , Wencan Liu , Jingwen Zhang , Xuzhao Li , Xixun Lin , Dianbo Sui , Yanan Cao , Kang Liu , Jun Zhao

The planning ability of Large Language Models (LLMs) has garnered increasing attention in recent years due to their remarkable capacity for multi-step reasoning and their ability to generalize across a wide range of domains. While some…

Artificial Intelligence · Computer Science 2025-02-19 Mohamed Aghzal , Erion Plaku , Gregory J. Stein , Ziyu Yao

Large language models (LLMs) have been routinely used to solve various tasks using step-by-step reasoning. However, the structure of intermediate reasoning steps, or thoughts, is rigid and unidirectional, such as chains, trees, or…

Artificial Intelligence · Computer Science 2024-12-30 Sijia Chen , Baochun Li

Machine learning practitioners often face significant challenges in formally integrating their prior knowledge and beliefs into predictive models, limiting the potential for nuanced and context-aware analyses. Moreover, the expertise needed…

Machine Learning · Statistics 2024-12-23 James Requeima , John Bronskill , Dami Choi , Richard E. Turner , David Duvenaud

Large Language Models (LLMs) have made significant strides in various intelligent tasks but still struggle with complex action reasoning tasks that require systematic search. To address this limitation, we propose a method that bridges the…

Computation and Language · Computer Science 2025-02-05 Adam Ishay , Joohyung Lee

Large language models (LLMs) have been a disruptive innovation in recent years, and they play a crucial role in our daily lives due to their ability to understand and generate human-like text. Their capabilities include natural language…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-10-17 Akrit Mudvari , Yuang Jiang , Leandros Tassiulas

Large language model (LLM) agents are increasingly used to interact with and execute tasks in dynamic environments. However, a critical yet overlooked limitation of these agents is that they, by default, assume a stationary context, failing…

Computation and Language · Computer Science 2026-04-17 Yize Cheng , Arshia Soltani Moakhar , Chenrui Fan , Parsa Hosseini , Kazem Faghih , Zahra Sodagar , Wenxiao Wang , Soheil Feizi

In this paper we examine the limitations of Large Language Models (LLMs) for complex reasoning tasks. Although recent works have started to employ formal languages as an intermediate representation for reasoning tasks, they often face…

Logic in Computer Science · Computer Science 2024-08-07 Shashank Kirtania , Priyanshu Gupta , Arjun Radhakirshna

The temporal aspect is a significant dimension of our reality. We notice the challenge that large language models (LLMs) face when engaging in temporal reasoning. Our preliminary experiments show that methods involving the generation of…

Computation and Language · Computer Science 2024-11-05 Xingxuan Li , Liying Cheng , Qingyu Tan , Hwee Tou Ng , Shafiq Joty , Lidong Bing

Humans continuously make new discoveries, and understanding temporal sequence of events leading to these breakthroughs is essential for advancing science and society. This ability to reason over time allows us to identify future steps and…

Computation and Language · Computer Science 2025-04-03 Abhilash Shankarampeta , Harsh Mahajan , Tushar Kataria , Dan Roth , Vivek Gupta

Artificial intelligence is making spectacular progress, and one of the best examples is the development of large language models (LLMs) such as OpenAI's GPT series. In these lectures, written for readers with a background in mathematics or…

Computation and Language · Computer Science 2023-10-09 Michael R. Douglas

Language models (LMs) have demonstrated remarkable capabilities in NLP, yet adapting them efficiently and robustly to specific tasks remains challenging. As their scale and complexity grow, fine-tuning LMs on labelled data often…

Computation and Language · Computer Science 2025-06-27 Zhengyan Shi

In-context learning (ICL) has emerged as a new approach to various natural language processing tasks, utilizing large language models (LLMs) to make predictions based on context that has been supplemented with a few examples or…

Computation and Language · Computer Science 2023-05-23 Linyong Nan , Yilun Zhao , Weijin Zou , Narutatsu Ri , Jaesung Tae , Ellen Zhang , Arman Cohan , Dragomir Radev

This research investigates the application of Large Language Models (LLMs) to augment conversational agents in process mining, aiming to tackle its inherent complexity and diverse skill requirements. While LLM advancements present novel…

Artificial Intelligence · Computer Science 2023-07-20 Urszula Jessen , Michal Sroka , Dirk Fahland