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Related papers: Towards Foundation Models for Materials Science: T…

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Machine learning techniques have been widely employed as effective tools in addressing various engineering challenges in recent years, particularly for the challenging task of microstructure-informed materials modeling. This work provides a…

Materials Science · Physics 2024-05-29 Xiang-Long Peng , Mozhdeh Fathidoost , Binbin Lin , Yangyiwei Yang , Bai-Xiang Xu

Pretrained foundation models learn embeddings that can be used for a wide range of downstream tasks. These embeddings optimise general performance, and if insufficiently accurate at a specific task the model can be fine-tuned to improve…

Machine Learning · Computer Science 2025-02-20 Matthew P. Wilson , Edward O. Pyzer-Knapp , Nicolas Galichet , Luke Dicks

Pre-trained machine learning (ML) models have shown great performance for a wide range of applications, in particular in natural language processing (NLP) and computer vision (CV). Here, we study how pre-training could be used for…

Machine Learning · Computer Science 2024-01-05 Shashank Subramanian , Peter Harrington , Kurt Keutzer , Wahid Bhimji , Dmitriy Morozov , Michael Mahoney , Amir Gholami

Automating activities through robots in unstructured environments, such as construction sites, has been a long-standing desire. However, the high degree of unpredictable events in these settings has resulted in far less adoption compared to…

Robotics · Computer Science 2024-07-23 Hossein Naderi , Alireza Shojaei , Lifu Huang

Foundation models, large-scale, pre-trained deep-learning models adapted to a wide range of downstream tasks have gained significant interest lately in various deep-learning problems undergoing a paradigm shift with the rise of these…

Computer Vision and Pattern Recognition · Computer Science 2023-10-31 Bobby Azad , Reza Azad , Sania Eskandari , Afshin Bozorgpour , Amirhossein Kazerouni , Islem Rekik , Dorit Merhof

Machine learning techniques have found their way into computational chemistry as indispensable tools to accelerate atomistic simulations and materials design. In addition, machine learning approaches hold the potential to boost the…

Chemical Physics · Physics 2025-10-03 Johannes Voss

The rapid evolution of artificial intelligence, particularly large language models, presents unprecedented opportunities for materials science research. We proposed and developed an AI materials scientist named MatPilot, which has shown…

Physics and Society · Physics 2024-11-14 Ziqi Ni , Yahao Li , Kaijia Hu , Kunyuan Han , Ming Xu , Xingyu Chen , Fengqi Liu , Yicong Ye , Shuxin Bai

Accurate prediction of material properties facilitates the discovery of novel materials with tailored functionalities. Deep learning models have recently shown superior accuracy and flexibility in capturing structure-property relationships.…

Machine Learning · Computer Science 2025-04-30 Chowdhury Mohammad Abid Rahman , Aldo H. Romero , Prashnna K. Gyawali

The rapid advancement of autonomous systems, including self-driving vehicles and drones, has intensified the need to forge true Spatial Intelligence from multi-modal onboard sensor data. While foundation models excel in single-modal…

Computer Vision and Pattern Recognition · Computer Science 2026-01-09 Song Wang , Lingdong Kong , Xiaolu Liu , Hao Shi , Wentong Li , Jianke Zhu , Steven C. H. Hoi

The realization of universal robots is an ultimate goal of researchers. However, a key hurdle in achieving this goal lies in the robots' ability to manipulate objects in their unstructured surrounding environments according to different…

Advances in machine learning have impacted myriad areas of materials science, ranging from the discovery of novel materials to the improvement of molecular simulations, with likely many more important developments to come. Given the rapid…

Materials Science · Physics 2020-06-26 Dane Morgan , Ryan Jacobs

Significant progress in the development of highly adaptable and reusable Artificial Intelligence (AI) models is expected to have a significant impact on Earth science and remote sensing. Foundation models are pre-trained on large unlabeled…

Foundation models, first introduced in 2021, refer to large-scale pretrained models (e.g., large language models (LLMs) and vision-language models (VLMs)) that learn from extensive unlabeled datasets through unsupervised methods, enabling…

Accurately predicting when and how materials fail is critical to designing safe, reliable structures, mechanical systems, and engineered components that operate under stress. Yet, fracture behavior remains difficult to model across the…

Recent advances in artificial intelligence have witnessed the emergence of large-scale deep learning models capable of interpreting and generating both textual and imaging data. Such models, typically referred to as foundation models, are…

Advances in machine learning over the past decade have resulted in a proliferation of algorithmic applications for encoding, characterizing, and acting on complex data that may contain many high dimensional features. Recently, the emergence…

Revealing and analyzing the various properties of materials is an essential and critical issue in the development of materials, including batteries, semiconductors, catalysts, and pharmaceuticals. Traditionally, these properties have been…

Machine Learning · Computer Science 2023-08-21 Limin Wang , Masatoshi Hanai , Toyotaro Suzumura , Shun Takashige , Kenjiro Taura

Machine learning (ML) and AI toolboxes such as scikit-learn or Weka are workhorses of contemporary data scientific practice -- their central role being enabled by usable yet powerful designs that allow to easily specify, train and validate…

Software Engineering · Computer Science 2021-01-14 Franz J. Király , Markus Löning , Anthony Blaom , Ahmed Guecioueur , Raphael Sonabend

Accurate prediction of atomistic, thermodynamic, and kinetic properties from molecular structures underpins materials innovation. Existing computational and experimental approaches lack the scalability required to navigate chemical space…

Large language models (LLMs) are increasingly applied to materials science questions, including literature comprehension, property prediction, materials discovery and alloy design. At the same time, a wide range of physics-based…

Materials Science · Physics 2025-12-17 Siyu Liu , Bo Hu , Beilin Ye , Jiamin Xu , David J. Srolovitz , Tongqi Wen