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Large language models (LLMs) are rapidly transforming materials science. This review examines recent LLM applications across the materials discovery pipeline, focusing on three key areas: mining scientific literature , predictive modelling,…

Computation and Language · Computer Science 2025-11-17 Fengxu Yang , Weitong Chen , Jack D. Evans

Recent years have seen important advances in the building of interpretable models, machine learning models that are designed to be easily understood by humans. In this work, we show that large language models (LLMs) are remarkably good at…

Machine Learning · Computer Science 2024-02-23 Sebastian Bordt , Ben Lengerich , Harsha Nori , Rich Caruana

The impressive performance of large language models (LLMs) has led to their consideration as models of human language processing. Instead, we suggest that the success of LLMs arises from the flexibility of the transformer learning…

Computation and Language · Computer Science 2024-11-19 Xiaoliang Luo , Michael Ramscar , Bradley C. Love

Large language models (LLMs) achieve remarkable performance through ever-increasing parameter counts, but scaling incurs steep computational costs. To better understand LLM scaling, we study representational differences between LLMs and…

State-of-the-art results in large language models (LLMs) often rely on scale, which becomes computationally expensive. This has sparked a research agenda to reduce these models' parameter counts and computational costs without significantly…

Computation and Language · Computer Science 2024-11-07 Xiuying Wei , Skander Moalla , Razvan Pascanu , Caglar Gulcehre

Large Language Models (LLMs) are pretrained on massive datasets and later instruction-tuned via supervised fine-tuning (SFT) or reinforcement learning (RL). Best practices emphasize large, diverse pretraining data, whereas post-training…

Machine Learning · Computer Science 2026-03-03 Adel Javanmard , Baharan Mirzasoleiman , Vahab Mirrokni

Pre-trained Large Language Models (LLMs) encapsulate large amounts of knowledge and take enormous amounts of compute to train. We make use of this resource, together with the observation that LLMs are able to transfer knowledge and…

Machine Learning · Computer Science 2025-01-14 Malcolm L. Wolff , Shenghao Yang , Kari Torkkola , Michael W. Mahoney

Recent advancements in Large Language Models (LLMs), particularly those built on Transformer architectures, have significantly broadened the scope of natural language processing (NLP) applications, transcending their initial use in chatbot…

Computation and Language · Computer Science 2024-05-29 Chen Wang , Jin Zhao , Jiaqi Gong

While training large language models (LLMs) from scratch can generate models with distinct functionalities and strengths, it comes at significant costs and may result in redundant capabilities. Alternatively, a cost-effective and compelling…

Computation and Language · Computer Science 2024-01-23 Fanqi Wan , Xinting Huang , Deng Cai , Xiaojun Quan , Wei Bi , Shuming Shi

Large Language Models (LLMs) have drawn a lot of attention due to their strong performance on a wide range of natural language tasks, since the release of ChatGPT in November 2022. LLMs' ability of general-purpose language understanding and…

Computation and Language · Computer Science 2025-03-25 Shervin Minaee , Tomas Mikolov , Narjes Nikzad , Meysam Chenaghlu , Richard Socher , Xavier Amatriain , Jianfeng Gao

Despite outstanding processes in many tasks, Large Language Models (LLMs) still lack accuracy when dealing with highly technical domains. Especially, telecommunications (telco) is a particularly challenging domain due the large amount of…

Computation and Language · Computer Science 2024-12-23 Camille Barboule , Viet-Phi Huynh , Adrien Bufort , Yoan Chabot , Géraldine Damnati , Gwénolé Lecorvé

Large language models (LLMs) such as ChatGPT, Gemini, LlaMa, and Claude are trained on massive quantities of text parsed from the internet and have shown a remarkable ability to respond to complex prompts in a manner often indistinguishable…

Optics · Physics 2025-04-01 Darui Lu , Yang Deng , Jordan M. Malof , Willie J. Padilla

Large language models (LLMs) have garnered significant attention for their superior performance in many knowledge-driven applications on the world wide web.These models are designed to train hundreds of millions or more parameters on large…

Computation and Language · Computer Science 2025-04-09 Bingchen Liu , Yuanyuan Fang , Naixing Xu , Shihao Hou , Xin Li , Qian Li

This groundbreaking study explores the expanse of Large Language Models (LLMs), such as Generative Pre-Trained Transformer (GPT) and Bidirectional Encoder Representations from Transformers (BERT) across varied domains ranging from…

Computation and Language · Computer Science 2024-02-27 Pravneet Kaur , Gautam Siddharth Kashyap , Ankit Kumar , Md Tabrez Nafis , Sandeep Kumar , Vikrant Shokeen

There is a significant potential for coding skills to transition fully to natural language in the future. In this context, large language models (LLMs) have shown impressive natural language processing abilities to generate sophisticated…

Materials Science · Physics 2024-06-25 Prathamesh Satpute , Saurabh Tiwari , Maneet Gupta , Supriyo Ghosh

Large language models (LLMs) and large multimodal models (LMMs) have achieved unprecedented breakthrough, showcasing remarkable capabilities in natural language understanding, generation, and complex reasoning. This transformative potential…

Machine Learning · Computer Science 2025-10-24 Hyun Jong Yang , Hyunsoo Kim , Hyeonho Noh , Seungnyun Kim , Byonghyo Shim

The rapid advancement of artificial intelligence, particularly with the development of Large Language Models (LLMs) built on the transformer architecture, has redefined the capabilities of natural language processing. These models now…

Computation and Language · Computer Science 2025-02-11 Andrea Matarazzo , Riccardo Torlone

This work builds together two popular blocks of neural architecture, namely convolutional layers and Transformers, for large language models (LLMs). Non-causal conformers are used ubiquitously in automatic speech recognition. This work aims…

Computation and Language · Computer Science 2023-07-04 Prateek Verma

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

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…