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Large Language Models (LLMs) are increasingly applied in the fields of mechanical engineering and materials science. As models that establish connections through the interface of language, LLMs can be applied for step-wise reasoning through…

Applied Physics · Physics 2025-07-22 Adrian Ehrenhofer , Thomas Wallmersperger , Gianaurelio Cuniberti

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

Within the evolving landscape of deep learning, the dilemma of data quantity and quality has been a long-standing problem. The recent advent of Large Language Models (LLMs) offers a data-centric solution to alleviate the limitations of…

Computation and Language · Computer Science 2024-06-24 Lin Long , Rui Wang , Ruixuan Xiao , Junbo Zhao , Xiao Ding , Gang Chen , Haobo Wang

The usage of Large Language Models (LLMs) for software and test development has continued to increase since LLMs were first introduced, but only recently have the expectations of LLMs become more realistic. Verifying the correctness of code…

Software Engineering · Computer Science 2025-08-20 Zachariah Sollenberger , Rahul Patel , Saieda Ali Zada , Sunita Chandrasekaran

As the strength of Large Language Models (LLMs) has grown over recent years, so too has interest in their use as the underlying models for autonomous agents. Although LLMs demonstrate emergent abilities and broad expertise across natural…

Artificial Intelligence · Computer Science 2024-12-06 Chris Sypherd , Vaishak Belle

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

Neural language models (LMs) have been shown to capture complex linguistic patterns, yet their utility in understanding human language and more broadly, human cognition, remains debated. While existing work in this area often evaluates…

Computation and Language · Computer Science 2026-04-10 Kanishka Misra , Najoung Kim

As scientific research becomes increasingly complex, innovative tools are needed to manage vast data, facilitate interdisciplinary collaboration, and accelerate discovery. Large language models (LLMs) are now evolving into LLM-based…

Artificial Intelligence · Computer Science 2026-02-03 Shuo Ren , Can Xie , Pu Jian , Zhenjiang Ren , Chunlin Leng , Jiajun Zhang

Large Language Models (LLMs) have transformed how people interact with artificial intelligence (AI) systems, achieving state-of-the-art results in various tasks, including scientific discovery and hypothesis generation. However, the lack of…

Computation and Language · Computer Science 2024-11-06 Sikun Guo , Amir Hassan Shariatmadari , Guangzhi Xiong , Albert Huang , Eric Xie , Stefan Bekiranov , Aidong Zhang

Inductive Logic Programming (ILP) is a principled approach for generalizing regularities from data and constructing hypotheses as interpretable logic programs. However, a key limitation is its reliance on expert-crafted language bias - the…

Artificial Intelligence · Computer Science 2026-01-21 Yang Yang , Jiemin Wu , Yutao Yue

Using Large Language Models (LLMs) for relevance assessments offers promising opportunities to improve Information Retrieval (IR), Natural Language Processing (NLP), and related fields. Indeed, LLMs hold the promise of allowing IR…

With recent advances in large language models (LLMs), the concept of automatically generating children's educational materials has become increasingly realistic. Working toward the goal of age-appropriate simplicity in generated educational…

Computation and Language · Computer Science 2023-10-31 Maria Valentini , Jennifer Weber , Jesus Salcido , Téa Wright , Eliana Colunga , Katharina Kann

Recent advancements in large language models (LLMs) demonstrate strong potential for generating novel research ideas, yet such ideas often struggle with feasibility and effectiveness. In this paper, we investigate whether augmenting LLMs…

Computation and Language · Computer Science 2026-03-03 Xiao Liu , Xinyi Dong , Xinyang Gao , Yansong Feng , Xun Pang

Significant advancements have been made in one of the most critical branches of artificial intelligence: natural language processing (NLP). These advancements are exemplified by the remarkable success of OpenAI's GPT-3.5/4 and the recent…

Materials Science · Physics 2025-04-22 Zongrui Pei , Junqi Yin , Jiaxin Zhang

Molecular property prediction and generative design via deep learning models has been the subject of intense research given its potential to accelerate development of new, high-performance materials. More recently, these workflows have been…

Artificial Intelligence · Computer Science 2024-12-16 Nathaniel H. Park , Tiffany J. Callahan , James L. Hedrick , Tim Erdmann , Sara Capponi

Large Language Models (LLMs) have the potential to revolutionize scientific research, yet their robustness and reliability in domain-specific applications remain insufficiently explored. In this study, we evaluate the performance and…

Computation and Language · Computer Science 2025-08-15 Hongchen Wang , Kangming Li , Scott Ramsay , Yao Fehlis , Edward Kim , Jason Hattrick-Simpers

Recent claims of strong performance by Large Language Models (LLMs) on causal discovery are undermined by a key flaw: many evaluations rely on benchmarks likely included in pretraining corpora. Thus, apparent success suggests that LLM-only…

Recommender systems have traditionally followed modular architectures comprising candidate generation, multi-stage ranking, and re-ranking, each trained separately with supervised objectives and hand-engineered features. While effective in…

Information Retrieval · Computer Science 2025-10-06 Rahul Raja , Anshaj Vats , Arpita Vats , Anirban Majumder

Aerospace manufacturing demands exceptionally high precision in technical parameters. The remarkable performance of Large Language Models (LLMs), such as GPT-4 and QWen, in Natural Language Processing has sparked industry interest in their…

Computation and Language · Computer Science 2025-02-04 Beiming Liu , Zhizhuo Cui , Siteng Hu , Xiaohua Li , Haifeng Lin , Zhengxin Zhang

Large language models (LLMs) have enabled agentic AI systems for scientific discovery, but most approaches remain limited to textbased reasoning without automated experimental verification. We propose MIND, an LLM-driven framework for…

Multiagent Systems · Computer Science 2026-04-16 Geonhee Ahn , Donghyun Lee , Hayoung Doo , Jonggeol Na , Hyunsoo Cho , Sookyung Kim