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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

It has been shown that finetuned transformers and other supervised detectors effectively distinguish between human and machine-generated text in some situations arXiv:2305.13242, but we find that even simple classifiers on top of n-gram and…

Computation and Language · Computer Science 2024-05-24 Hope McGovern , Rickard Stureborg , Yoshi Suhara , Dimitris Alikaniotis

As an intriguing case is the goodness of the machine and deep learning models generated by these LLMs in conducting automated scientific data analysis, where a data analyst may not have enough expertise in manually coding and optimizing…

Artificial Intelligence · Computer Science 2024-12-02 Saroj Gopali , Sima Siami-Namini , Faranak Abri , Akbar Siami Namin

Materials discovery and development are critical for addressing global challenges. Yet, the exponential growth in materials science literature comprising vast amounts of textual data has created significant bottlenecks in knowledge…

Large Language Model (LLM) pretraining, finetuning, and evaluation rely on input-space reconstruction and generative capabilities. Yet, it has been observed in vision that embedding-space training objectives, e.g., with Joint Embedding…

Computation and Language · Computer Science 2025-10-08 Hai Huang , Yann LeCun , Randall Balestriero

In this paper, we demonstrate a surprising capability of large language models (LLMs): given only input feature names and a description of a prediction task, they are capable of selecting the most predictive features, with performance…

Machine Learning · Computer Science 2025-04-21 Daniel P. Jeong , Zachary C. Lipton , Pradeep Ravikumar

The proliferation of wearable technology enables the generation of vast amounts of sensor data, offering significant opportunities for advancements in health monitoring, activity recognition, and personalized medicine. However, the…

Human-Computer Interaction · Computer Science 2024-08-02 Emilio Ferrara

Protein language models (PLMs) have shown promise in improving the understanding of protein sequences, contributing to advances in areas such as function prediction and protein engineering. However, training these models from scratch…

Machine Learning · Computer Science 2024-12-19 Shivasankaran Vanaja Pandi , Bharath Ramsundar

While machine learning has transformed polymer design by enabling rapid property prediction and candidate generation, translating these designs into experimentally realizable materials remains a critical challenge. Traditionally, the…

Soft Condensed Matter · Physics 2025-12-08 Sakshi Agarwal , Wei Xiong , Rampi Ramprasad

Multimodal LLMs (MLLMs) are capable of performing complex data analysis, visual question answering, generation, and reasoning tasks. However, their ability to analyze biometric data is relatively underexplored. In this work, we investigate…

Computer Vision and Pattern Recognition · Computer Science 2026-04-14 Ekta Gavas , Sudipta Banerjee , Chinmay Hegde , Nasir Memon

Large Language Models (LLMs) offer a promising alternative to traditional survey methods, potentially enhancing efficiency and reducing costs. In this study, we use LLMs to create virtual populations that answer survey questions, enabling…

Human-Computer Interaction · Computer Science 2025-03-24 Enzo Sinacola , Arnault Pachot , Thierry Petit

Research scientists increasingly rely on implementing software to support their research. While previous research has examined the impact of identifier names on program comprehension in traditional programming environments, limited work has…

Software Engineering · Computer Science 2025-07-23 Gunnar Larsen , Carol Wong , Anthony Peruma

In recent years, groundbreaking advancements in natural language processing have culminated in the emergence of powerful large language models (LLMs), which have showcased remarkable capabilities across a vast array of domains, including…

Computation and Language · Computer Science 2023-12-11 Microsoft Research AI4Science , Microsoft Azure Quantum

Smart home automation systems aim to improve the comfort and convenience of users in their living environment. However, adapting automation to user needs remains a challenge. Indeed, many systems still rely on hand-crafted routines for each…

Human-Computer Interaction · Computer Science 2024-07-18 Jordan Rey-Jouanchicot , André Bottaro , Eric Campo , Jean-Léon Bouraoui , Nadine Vigouroux , Frédéric Vella

Large language models (LLMs) are beginning to reshape how chemists plan and run reactions in organic synthesis. Trained on millions of reported transformations, these text-based models can propose synthetic routes, forecast reaction…

Artificial Intelligence · Computer Science 2025-08-08 Kartar Kumar Lohana Tharwani , Rajesh Kumar , Sumita , Numan Ahmed , Yong Tang

Large language models (LLMs) show remarkable capabilities across a variety of tasks. Despite the models only seeing text in training, several recent studies suggest that LLM representations implicitly capture aspects of the underlying…

Computation and Language · Computer Science 2024-04-16 Yutaro Yamada , Yihan Bao , Andrew K. Lampinen , Jungo Kasai , Ilker Yildirim

Large language models (LLMs) offer new opportunities for automated data extraction and property prediction across materials science, yet their use in superconductivity research remains limited. Here we construct a large experimental…

Materials Science · Physics 2025-12-12 Suman Itani , Yibo Zhang , Ranjit Itani , Jiadong Zang

The emergence of Large Language Models (LLMs) has achieved tremendous success in the field of Natural Language Processing owing to diverse training paradigms that empower LLMs to effectively capture intricate linguistic patterns and…

Information Retrieval · Computer Science 2024-07-04 Lemei Zhang , Peng Liu , Yashar Deldjoo , Yong Zheng , Jon Atle Gulla

Large language models (LLMs) have demonstrated their potential in social science research by emulating human perceptions and behaviors, a concept referred to as algorithmic fidelity. This study assesses the algorithmic fidelity and bias of…

Artificial Intelligence · Computer Science 2024-08-09 S. Lee , T. Q. Peng , M. H. Goldberg , S. A. Rosenthal , J. E. Kotcher , E. W. Maibach , A. Leiserowitz

Pre-trained Large Language Models (LLMs) have revolutionized text processing, yet adapting Transformer-based neural networks to non-textual scientific modalities typically requires specialized architectures and extensive computational…

Instrumentation and Methods for Astrophysics · Physics 2025-08-15 Nesar Ramachandra , Yuan-Sen Ting , Zechang Sun , Azton Wells , Salman Habib