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Large language models (LLMs) have achieved significant success in interacting with human. However, recent studies have revealed that these models often suffer from hallucinations, leading to overly confident but incorrect judgments. This…

Computation and Language · Computer Science 2023-09-06 Yusheng Liao , Yutong Meng , Hongcheng Liu , Yanfeng Wang , Yu Wang

While large language models (LLMs) with Chain-of-Thought (CoT) reasoning excel in mathematics and coding, their potential for systematic reasoning in chemistry, a domain demanding rigorous structural analysis for real-world tasks like drug…

Artificial Intelligence · Computer Science 2026-01-08 Hao Li , He Cao , Bin Feng , Yanjun Shao , Xiangru Tang , Zhiyuan Yan , Li Yuan , Yonghong Tian , Yu Li

There is vivid research on adapting Large Language Models (LLMs) to perform a variety of tasks in high-stakes domains such as healthcare. Despite their popularity, there is a lack of understanding of the extent and contributing factors that…

Computation and Language · Computer Science 2024-06-07 Anand Subramanian , Viktor Schlegel , Abhinav Ramesh Kashyap , Thanh-Tung Nguyen , Vijay Prakash Dwivedi , Stefan Winkler

Large Language Models (LLMs) exhibit emerging in-context learning abilities through prompt engineering. The recent progress in large-scale generative models has further expanded their use in real-world language applications. However, the…

Computation and Language · Computer Science 2024-04-12 Linyi Yang , Shuibai Zhang , Zhuohao Yu , Guangsheng Bao , Yidong Wang , Jindong Wang , Ruochen Xu , Wei Ye , Xing Xie , Weizhu Chen , Yue Zhang

Quantitative chemistry is central to modern chemical research, yet the ability of large language models (LLMs) to perform its rigorous, step-by-step calculations remains underexplored. To fill this blank, we propose QCBench, a Quantitative…

Artificial Intelligence · Computer Science 2025-11-05 Jiaqing Xie , Weida Wang , Ben Gao , Zhuo Yang , Haiyuan Wan , Shufei Zhang , Tianfan Fu , Yuqiang Li

The rapid advancement of large language models (LLMs) has opened new boundaries in the extraction and synthesis of medical knowledge, particularly within evidence synthesis. This paper reviews the state-of-the-art applications of LLMs in…

Text-to-SQL is a subtask in semantic parsing that has seen rapid progress with the evolution of Large Language Models (LLMs). However, LLMs face challenges due to hallucination issues and a lack of domain-specific database knowledge(such as…

Computation and Language · Computer Science 2025-02-26 Xingyu Ma , Xin Tian , Lingxiang Wu , Xuepeng Wang , Xueming Tang , Jinqiao Wang

In this paper, we survey recent advances in Reinforcement Learning (RL) for reasoning with Large Language Models (LLMs). RL has achieved remarkable success in advancing the frontier of LLM capabilities, particularly in addressing complex…

Large Language Models (LLMs) create exciting possibilities for powerful language processing tools to accelerate research in materials science. While LLMs have great potential to accelerate materials understanding and discovery, they…

Materials Science · Physics 2024-09-26 Santiago Miret , N M Anoop Krishnan

Large language models (LLMs) have achieved remarkable results on tasks framed as reasoning problems, yet their true ability to perform procedural reasoning, executing multi-step, rule-based computations remains unclear. Unlike algorithmic…

Artificial Intelligence · Computer Science 2025-11-20 Mahdi Samiei , Mahdi Mansouri , Mahdieh Soleymani Baghshah

Long-context reasoning is essential for complex real-world applications, yet remains a significant challenge for Large Language Models (LLMs). Despite the rapid evolution in long-context reasoning, current research often overlooks the…

Computation and Language · Computer Science 2026-04-10 Yanling Xiao , Huaibing Xie , Guoliang Zhao , Shihan Dou , Shaolei Wang , Yiting Liu , Nantao Zheng , Cheng Zhang , Pluto Zhou , Zhisong Zhang , Lemao Liu

There is an increasing body of work using Large Language Models (LLMs) as agents for orchestrating workflows and making decisions in domains that require planning and multi-step reasoning. As a result, it is imperative to evaluate LLMs on…

Artificial Intelligence · Computer Science 2026-03-03 Harsha Kokel , Michael Katz , Kavitha Srinivas , Shirin Sohrabi

The paradigm of agentic science requires AI systems to conduct robust reasoning and engage in long-horizon, autonomous exploration. However, current scientific benchmarks remain confined to domain knowledge comprehension and complex…

The rapid advancement of large language models (LLMs) has created a diverse landscape of models, each excelling at different tasks. This diversity drives researchers to employ multiple LLMs in practice, leaving behind valuable multi-LLM log…

Machine Learning · Computer Science 2025-09-30 Tao Feng , Haozhen Zhang , Zijie Lei , Pengrui Han , Mostofa Patwary , Mohammad Shoeybi , Bryan Catanzaro , Jiaxuan You

Large language models (LLMs) excel in general tasks but struggle with domain-specific ones, requiring fine-tuning with specific data. With many open-source LLMs available, selecting the best model for fine-tuning downstream tasks is…

Computation and Language · Computer Science 2025-09-05 Wei Huang , Huang Wei , Yinggui Wang

Large language models (LLMs) have demonstrated rapid progress across a wide array of domains. Owing to the very large number of parameters and training data in LLMs, these models inherently encompass an expansive and comprehensive materials…

Materials Science · Physics 2024-11-20 Siyu Liu , Tongqi Wen , A. S. L. Subrahmanyam Pattamatta , David J. Srolovitz

Large Language Models (LLMs) have achieved remarkable progress on advanced reasoning tasks such as mathematics and coding competitions. Meanwhile, physics, despite being both reasoning-intensive and essential to real-world understanding,…

Computation and Language · Computer Science 2025-10-20 Shenghe Zheng , Qianjia Cheng , Junchi Yao , Mengsong Wu , Haonan He , Ning Ding , Yu Cheng , Shuyue Hu , Lei Bai , Dongzhan Zhou , Ganqu Cui , Peng Ye

Large Language Models (LLMs) are the cornerstone in automating Requirements Engineering (RE) tasks, underpinning recent advancements in the field. Their pre-trained comprehension of natural language is pivotal for effectively tailoring them…

Software Engineering · Computer Science 2024-05-16 Andreas Vogelsang , Jannik Fischbach

Autonomous tuning of particle accelerators is an active and challenging field of research with the goal of enabling novel accelerator technologies cutting-edge high-impact applications, such as physics discovery, cancer research and…

Computation and Language · Computer Science 2024-05-16 Jan Kaiser , Annika Eichler , Anne Lauscher
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