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Efficient and accurate prediction of material properties is critical for advancing materials design and applications. The rapid-evolution of large language models (LLMs) presents a new opportunity for material property predictions,…

Materials Science · Physics 2024-11-20 Siyu Liu , Tongqi Wen , Beilin Ye , Zhuoyuan Li , David J. Srolovitz

Pharmaceutical three-dimensional (3D) printing is an advanced fabrication technology with the potential to enable truly personalised dosage forms. Recent studies have integrated artificial intelligence (AI) to accelerate formulation and…

Artificial Intelligence · Computer Science 2026-05-19 Adeshola Okubena , Yusuf Ali Mohammed , Moe Elbadawi

Active learning (AL) accelerates scientific discovery by prioritizing the most informative experiments, but traditional machine learning (ML) models used in AL suffer from cold-start limitations and domain-specific feature engineering,…

Machine Learning · Computer Science 2025-12-05 Hongchen Wang , Rafael Espinosa Castañeda , Jay R. Werber , Yao Fehlis , Edward Kim , Jason Hattrick-Simpers

Large language models (LLMs) are a special class of pretrained language models obtained by scaling model size, pretraining corpus and computation. LLMs, because of their large size and pretraining on large volumes of text data, exhibit…

Computation and Language · Computer Science 2023-10-20 Katikapalli Subramanyam Kalyan

As the application of large language models in various fields continues to expand, materials science also ushers in opportunities for AI-driven innovation. The traditional way of relying on manual search for materials science-related…

Artificial Intelligence · Computer Science 2024-11-14 Chao Huang , Huichen Xiao , Chen Chen , Chunyan Chen , Yi Zhao , Shiyu Du , Yiming Zhang , He Sha , Ruixin Gu

The use of Large Language Models (LLMs) in mathematical reasoning has become a cornerstone of related research, demonstrating the intelligence of these models and enabling potential practical applications through their advanced performance,…

Computation and Language · Computer Science 2024-12-20 Kathrin Seßler , Yao Rong , Emek Gözlüklü , Enkelejda Kasneci

Large Language Models (LLMs) represent a class of deep learning models adept at understanding natural language and generating coherent responses to various prompts or queries. These models far exceed the complexity of conventional neural…

Machine Learning · Computer Science 2024-12-05 Minghao Shao , Abdul Basit , Ramesh Karri , Muhammad Shafique

With the increasing impacts of climate change, there is a growing demand for accessible tools that can provide reliable future climate information to support planning, finance, and other decision-making applications. Large language models…

Machine Learning · Computer Science 2024-11-22 Yang Wang , Hassan A. Karimi

Large language models (LLMs) are becoming increasingly better at a wide range of Natural Language Processing tasks (NLP), such as text generation and understanding. Recently, these models have extended their capabilities to coding tasks,…

Machine Learning · Computer Science 2024-10-23 Nishat Raihan , Mohammed Latif Siddiq , Joanna C. S. Santos , Marcos Zampieri

Latent representation alignment has become a foundational technique for constructing multimodal large language models (MLLM) by mapping embeddings from different modalities into a shared space, often aligned with the embedding space of…

Machine Learning · Computer Science 2025-03-06 Dong Shu , Bingbing Duan , Kai Guo , Kaixiong Zhou , Jiliang Tang , Mengnan Du

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 are increasingly applied to materials science, yet fundamental questions remain about their reliability and knowledge encoding. Evaluating 25 LLMs across four materials science tasks -- over 200 base and fine-tuned…

Materials Science · Physics 2026-03-03 Vineeth Venugopal , Soroush Mahjoubi , Elsa Olivetti

Large language models offer new ways of empowering people to program robot applications-namely, code generation via prompting. However, the code generated by LLMs is susceptible to errors. This work reports a preliminary exploration that…

Robotics · Computer Science 2023-10-11 Juo-Tung Chen , Chien-Ming Huang

Large Language Models (LLMs) have demonstrated promise in medical knowledge assessments, yet their practical utility in real-world clinical decision-making remains underexplored. In this study, we evaluated the performance of three…

Computation and Language · Computer Science 2025-12-30 Mengdi Chai , Ali R. Zomorrodi

In recent years, the integration of large language models (LLMs) has revolutionized the field of robotics, enabling robots to communicate, understand, and reason with human-like proficiency. This paper explores the multifaceted impact of…

Robotics · Computer Science 2024-08-16 Yeseung Kim , Dohyun Kim , Jieun Choi , Jisang Park , Nayoung Oh , Daehyung Park

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

Polymers are diverse and versatile materials that have met a wide range of material application demands. They come in several flavors and architectures, e.g., homopolymers, copolymers, polymer blends, and polymers with additives. Searching…

Soft Condensed Matter · Physics 2024-11-05 Shivank S. Shukla , Christopher Kuenneth , Rampi Ramprasad

Vision-Language Models (VLMs) have shown strong performance in tasks like visual question answering and multimodal text generation, but their effectiveness in scientific domains such as materials science remains limited. While some machine…

Machine Learning · Computer Science 2025-11-11 An Vuong , Minh-Hao Van , Prateek Verma , Chen Zhao , Xintao Wu

Large Language Models (LLMs) like GPT-3 and GPT-4 have emerged as groundbreaking innovations with capabilities that extend far beyond traditional AI applications. These sophisticated models, trained on massive datasets, can generate…

Software Engineering · Computer Science 2025-05-21 Md Asraful Haque

The advancement of Large Language Models (LLMs) for domain applications in fields such as materials science and engineering depends on the development of fine-tuning strategies that adapt models for specialized, technical capabilities. In…

Computation and Language · Computer Science 2024-09-06 Wei Lu , Rachel K. Luu , Markus J. Buehler