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The parallels between protein sequences and natural language in their sequential structures have inspired the application of large language models (LLMs) to protein understanding. Despite the success of LLMs in NLP, their effectiveness in…

Quantitative Methods · Quantitative Biology 2024-07-09 Yiqing Shen , Zan Chen , Michail Mamalakis , Luhan He , Haiyang Xia , Tianbin Li , Yanzhou Su , Junjun He , Yu Guang Wang

Formal languages are an integral part of modeling and simulation. They allow the distillation of knowledge into concise simulation models amenable to automatic execution, interpretation, and analysis. However, the arguably most humanly…

Machine Learning · Computer Science 2025-10-23 Justin N. Kreikemeyer , Miłosz Jankowski , Pia Wilsdorf , Adelinde M. Uhrmacher

This paper presents a comprehensive evaluation of the capabilities of Large Language Models (LLMs) in metaphor interpretation across multiple datasets, tasks, and prompt configurations. Although metaphor processing has gained significant…

Computation and Language · Computer Science 2025-07-22 Elisa Sanchez-Bayona , Rodrigo Agerri

In the real world, a molecule is a 3D geometric structure. Compared to 1D SMILES sequences and 2D molecular graphs, 3D molecules represent the most informative molecular modality. Despite the rapid progress of autoregressive-based language…

Computational Engineering, Finance, and Science · Computer Science 2025-08-15 Lei Jiang , Shuzhou Sun , Biqing Qi , Yuchen Fu , Xiaohua Xu , Yuqiang Li , Dongzhan Zhou , Tianfan Fu

Large Language Models (LLMs) such as GPT developed by OpenAI, have already shown astonishing results, introducing quick changes in our society. This has been intensified by the release of ChatGPT which allows anyone to interact in a simple…

Computer Vision and Pattern Recognition · Computer Science 2024-02-28 Ivan DeAndres-Tame , Ruben Tolosana , Ruben Vera-Rodriguez , Aythami Morales , Julian Fierrez , Javier Ortega-Garcia

Large language models (LLMs) are playing an increasingly important role in science and engineering. For example, their ability to parse and understand human and computer languages makes them powerful interpreters and their use in…

Materials Science · Physics 2023-10-19 Juan C. Verduzco , Ethan Holbrook , Alejandro Strachan

Large Language Models (LLMs) like GPT and LLaMA are revolutionizing the AI industry with their sophisticated capabilities. Training these models requires vast GPU clusters and significant computing time, posing major challenges in terms of…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-07-30 Jiangfei Duan , Shuo Zhang , Zerui Wang , Lijuan Jiang , Wenwen Qu , Qinghao Hu , Guoteng Wang , Qizhen Weng , Hang Yan , Xingcheng Zhang , Xipeng Qiu , Dahua Lin , Yonggang Wen , Xin Jin , Tianwei Zhang , Peng Sun

Frontier large language models (LLMs), such as GPT-5, Claude 4.5, Gemini 3, Llama 4, and DeepSeek-R1, represent a transformative class of AI tools capable of revolutionizing various aspects of healthcare by generating human-like responses…

Large Language Models (LLMs) have recently emerged as a focal point of research and application, driven by their unprecedented ability to understand and generate text with human-like quality. Even more recently, LLMs have been extended into…

Computation and Language · Computer Science 2024-04-03 Kilian Carolan , Laura Fennelly , Alan F. Smeaton

The rise of large language models (LLMs) has significantly impacted various domains, including natural language processing (NLP) and image generation, by making complex computational tasks more accessible. While LLMs demonstrate impressive…

Databases · Computer Science 2024-10-15 Ananya Rahaman , Anny Zheng , Mostafa Milani , Fei Chiang , Rachel Pottinger

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

This paper examines the comparative effectiveness of a specialized compiled language model and a general-purpose model like OpenAI's GPT-3.5 in detecting SDGs within text data. It presents a critical review of Large Language Models (LLMs),…

Computation and Language · Computer Science 2023-07-31 Arash Hajikhani , Carolyn Cole

The development of large language models and multi-modal models has enabled the appealing idea of generating novel molecules from text descriptions. Generative modeling would shift the paradigm from relying on large-scale chemical screening…

Machine Learning · Computer Science 2025-08-25 Yifan Deng , Spencer S. Ericksen , Anthony Gitter

Recent advances in the performance of large language models (LLMs) have sparked debate over whether, given sufficient training, high-level human abilities emerge in such generic forms of artificial intelligence (AI). Despite the exceptional…

Computation and Language · Computer Science 2024-01-18 Nicholas Ichien , Dušan Stamenković , Keith J. Holyoak

Sentence Embedding stands as a fundamental task within the realm of Natural Language Processing, finding extensive application in search engines, expert systems, and question-and-answer platforms. With the continuous evolution of large…

Computation and Language · Computer Science 2024-05-16 Bowen Zhang , Kehua Chang , Chunping Li

The trade-off between expressiveness and interpretability remains a core challenge when building human-centric predictive models for classification and decision-making. While symbolic rules offer interpretability, they often lack…

Artificial Intelligence · Computer Science 2024-06-26 Ruochen Wang , Si Si , Felix Yu , Dorothea Wiesmann , Cho-Jui Hsieh , Inderjit Dhillon

With the release of OpenAI's ChatGPT, the field of large language models (LLM) saw an increase of academic interest in GPT based chat assistants. In the next few months multiple accesible large language models were released that included…

Cryptography and Security · Computer Science 2024-02-14 Shariq Murtuza

Large language models (LLMs) have demonstrated remarkable potential in handling multilingual machine translation (MMT). In this paper, we systematically investigate the advantages and challenges of LLMs for MMT by answering two questions:…

Computation and Language · Computer Science 2024-06-17 Wenhao Zhu , Hongyi Liu , Qingxiu Dong , Jingjing Xu , Shujian Huang , Lingpeng Kong , Jiajun Chen , Lei Li

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

Large Language Models (LLMs) exhibit a significant "embodiment gap", where their text-based representations fail to align with human sensorimotor experiences. This study systematically investigates whether and how task-specific fine-tuning…

Computation and Language · Computer Science 2026-03-05 Minghua Wu , Javier Conde , Pedro Reviriego , Marc Brysbaert