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The capabilities of large language models (LLMs) have expanded beyond natural language processing to scientific prediction tasks, including molecular property prediction. However, their effectiveness in in-context learning remains…

With the advent of large language models (LLMs), the vast unstructured text within millions of academic papers is increasingly accessible for materials discovery, although significant challenges remain. While LLMs offer promising few- and…

Computation and Language · Computer Science 2025-09-30 Amit K Verma , Zhisong Zhang , Junwon Seo , Robin Kuo , Runbo Jiang , Emma Strubell , Anthony D Rollett

The exponential growth of information presents a significant challenge for researchers and professionals seeking to remain at the forefront of their fields and this paper introduces an innovative framework for automatically generating…

Computational Engineering, Finance, and Science · Computer Science 2025-10-30 Andrei Lazarev , Dmitrii Sedov

With recent advances in large language models (LLMs), this paper explores the potential of leveraging state-of-the-art LLMs,such as GPT-4, to transfer existing human-written properties (e.g.,those from Certora auditing reports) and…

Software Engineering · Computer Science 2024-12-09 Ye Liu , Yue Xue , Daoyuan Wu , Yuqiang Sun , Yi Li , Miaolei Shi , Yang Liu

The promise of generative AI to revolutionize education is constrained by the pedagogical limits of large language models (LLMs). A major issue is the lack of access to high-quality training data that reflect the learning of actual…

Computation and Language · Computer Science 2025-10-07 Janos Perczel , Jin Chow , Dorottya Demszky

Predicting molecular properties is a critical component of drug discovery. Recent advances in deep learning, particularly Graph Neural Networks (GNNs), have enabled end-to-end learning from molecular structures, reducing reliance on manual…

Computation and Language · Computer Science 2025-09-26 Peng Zhou , Lai Hou Tim , Zhixiang Cheng , Kun Xie , Chaoyi Li , Wei Liu , Xiangxiang Zeng

Large pre-trained language models (PLMs) have made significant progress in encoding world knowledge and spawned a new set of learning paradigms including zero-shot, few-shot, and in-context learning. Many language tasks can be modeled as a…

Computation and Language · Computer Science 2023-05-25 Debaditya Shome , Kuldeep Yadav

The amount of data has growing significance in exploring cutting-edge materials and a number of datasets have been generated either by hand or automated approaches. However, the materials science field struggles to effectively utilize the…

Computation and Language · Computer Science 2023-04-13 Tong Xie , Yuwei Wan , Wei Huang , Yufei Zhou , Yixuan Liu , Qingyuan Linghu , Shaozhou Wang , Chunyu Kit , Clara Grazian , Wenjie Zhang , Bram Hoex

Attention-based architectures trained on internet-scale language data have demonstrated state of the art reasoning ability for various language-based tasks, such as logic problems and textual reasoning. Additionally, these Large Language…

Robotics · Computer Science 2025-08-22 Mark Van der Merwe , Devesh Jha

Recently, the remarkable capabilities of large language models (LLMs) have been illustrated across a variety of research domains such as natural language processing, computer vision, and molecular modeling. We extend this paradigm by…

Machine Learning · Computer Science 2023-09-04 Hongshuo Huang , Rishikesh Magar , Changwen Xu , Amir Barati Farimani

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

Retrieving and extracting knowledge from extensive research documents and large databases presents significant challenges for researchers, students, and professionals in today's information-rich era. Existing retrieval systems, which rely…

Information Retrieval · Computer Science 2025-02-06 Mohammed-Khalil Ghali , Abdelrahman Farrag , Daehan Won , Yu Jin

Relation extraction (RE) consistently involves a certain degree of labeled or unlabeled data even if under zero-shot setting. Recent studies have shown that large language models (LLMs) transfer well to new tasks out-of-the-box simply given…

Artificial Intelligence · Computer Science 2023-11-27 Guozheng Li , Peng Wang , Wenjun Ke

The extraction of structured information from raw text is a fundamental component of many NLP applications, including document retrieval, ranking, and relevance estimation. High-quality extractions often require domain-specific accuracy,…

Computation and Language · Computer Science 2026-03-10 Moin Amin-Naseri , Hannah Kim , Estevam Hruschka

Free-text crash narratives recorded in real-world crash databases have been shown to play a significant role in improving traffic safety. However, large-scale analyses remain difficult to implement as there are no documented tools that can…

Computation and Language · Computer Science 2025-10-13 Xixi Wang , Jordanka Kovaceva , Miguel Costa , Shuai Wang , Francisco Camara Pereira , Robert Thomson

The rapid discovery of materials is constrained by the lack of large, machine-readable datasets that couple performance metrics with structural context. Existing databases are either small, manually curated, or biased toward first…

Machine Learning · Computer Science 2026-03-10 Subham Ghosh , Abhishek Tewari

Over the past decade, extensive research efforts have been dedicated to the extraction of information from textual process descriptions. Despite the remarkable progress witnessed in natural language processing (NLP), information extraction…

Computation and Language · Computer Science 2024-07-29 Julian Neuberger , Lars Ackermann , Han van der Aa , Stefan Jablonski

Automated data extraction from research texts has been steadily improving, with the emergence of large language models (LLMs) accelerating progress even further. Extracting data from plots in research papers, however, has been such a…

Computer Vision and Pattern Recognition · Computer Science 2025-03-18 Maciej P. Polak , Dane Morgan

The design of sustainable materials requires access to materials performance and sustainability data from literature corpus in an organized, structured and automated manner. Natural language processing approaches, particularly large…

The vast majority of materials science knowledge exists in unstructured natural language, yet structured data is crucial for innovative and systematic materials design. Traditionally, the field has relied on manual curation and partial…