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Machine Learning (ML) plays an increasingly important role in the discovery and design of new materials. In this paper, we demonstrate the potential of ML for materials research using hard-magnetic phases as an illustrative case. We build…

Materials Science · Physics 2018-10-04 Johannes J. Möller , Wolfgang Körner , Georg Krugel , Daniel F. Urban , Christian Elsässer

Recent advancements in Artificial intelligence, especially deep learning, has changed many fields irreversibly by introducing state of the art methods for automation. Construction monitoring has not been an exception; as a part of…

Chemists in search of structure-property relationships face great challenges due to limited high quality, concordant datasets. Machine learning (ML) has significantly advanced predictive capabilities in chemical sciences, but these modern…

Machine Learning · Computer Science 2025-09-18 Yulia Pimonova , Michael G. Taylor , Alice Allen , Ping Yang , Nicholas Lubbers

Most uses of machine learning today involve training a model from scratch for a particular task, or sometimes starting with a model pretrained on a related task and then fine-tuning on a downstream task. Both approaches offer limited…

Machine Learning · Computer Science 2022-05-26 Andrea Gesmundo , Jeff Dean

Multimodality Representation Learning, as a technique of learning to embed information from different modalities and their correlations, has achieved remarkable success on a variety of applications, such as Visual Question Answering (VQA),…

Artificial Intelligence · Computer Science 2024-03-04 Muhammad Arslan Manzoor , Sarah Albarri , Ziting Xian , Zaiqiao Meng , Preslav Nakov , Shangsong Liang

Data-driven approaches such as deep learning can result in predictive models for material properties with exceptional accuracy and efficiency. However, in many applications, data is sparse, severely limiting their accuracy and…

Machine Learning · Computer Science 2025-10-29 Robert J Appleton , Brian C Barnes , Alejandro Strachan

As the number of novel data-driven approaches to material science continues to grow, it is crucial to perform consistent quality, reliability and applicability assessments of model performance. In this paper, we benchmark the Materials…

Materials Science · Physics 2021-08-04 Pierre-Paul De Breuck , Matthew L. Evans , Gian-Marco Rignanese

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

Modulation classification, an intermediate process between signal detection and demodulation in a physical layer, is now attracting more interest to the cognitive radio field, wherein the performance is powered by artificial intelligence…

Signal Processing · Electrical Eng. & Systems 2020-09-07 Thien Huynh-The , Van-Sang Doan , Cam-Hao Hua , Quoc-Viet Pham , Dong-Seong Kim

Personalized object detection aims to adapt a general-purpose detector to recognize user-specific instances from only a few examples. Lightweight models often struggle in this setting due to their weak semantic priors, while large…

Computer Vision and Pattern Recognition · Computer Science 2025-11-24 Elena Camuffo , Francesco Barbato , Mete Ozay , Simone Milani , Umberto Michieli

Stochastic microstructure reconstruction has become an indispensable part of computational materials science, but ongoing developments are specific to particular material systems. In this paper, we address this generality problem by…

Materials Science · Physics 2018-05-09 Xiaolin Li , Yichi Zhang , He Zhao , Craig Burkhart , L Catherine Brinson , Wei Chen

In order to make accurate predictions of material properties, current machine-learning approaches generally require large amounts of data, which are often not available in practice. In this work, an all-round framework is presented which…

Materials Science · Physics 2021-07-09 Pierre-Paul De Breuck , Geoffroy Hautier , Gian-Marco Rignanese

Machine Learning (ML) has the potential to accelerate discovery of new materials and shed light on useful properties of existing materials. A key difficulty when applying ML in Materials Science is that experimental datasets of material…

Machine learning has the potential to accelerate materials discovery by accurately predicting materials properties at a low computational cost. However, the model inputs remain a key stumbling block. Current methods typically use…

Computational Physics · Physics 2021-01-07 Rhys E. A. Goodall , Alpha A. Lee

Scaling model capacity has been vital in the success of deep learning. For a typical network, necessary compute resources and training time grow dramatically with model size. Conditional computation is a promising way to increase the number…

Machine Learning · Computer Science 2018-11-14 Louis Kirsch , Julius Kunze , David Barber

Deep learning is transforming many areas in science, and it has great potential in modeling molecular systems. However, unlike the mature deployment of deep learning in computer vision and natural language processing, its development in…

Computational Physics · Physics 2021-03-19 Jun Zhang , Yao-Kun Lei , Zhen Zhang , Junhan Chang , Maodong Li , Xu Han , Lijiang Yang , Yi Isaac Yang , Yi Qin Gao

Multimodal learning seeks to utilize data from multiple sources to improve the overall performance of downstream tasks. It is desirable for redundancies in the data to make multimodal systems robust to missing or corrupted observations in…

Computer Vision and Pattern Recognition · Computer Science 2024-10-14 Md Kaykobad Reza , Ashley Prater-Bennette , M. Salman Asif

The integration of machine learning techniques in materials discovery has become prominent in materials science research and has been accompanied by an increasing trend towards open-source data and tools to propel the field. Despite the…

Materials Science · Physics 2026-05-27 Daniel Persaud , Logan Ward , Jason Hattrick-Simpers

In this paper, we leverage predictive uncertainty of deep neural networks to answer challenging questions material scientists usually encounter in machine learning based materials applications workflows. First, we show that by leveraging…

Materials Science · Physics 2021-04-26 Jize Zhang , Bhavya Kailkhura , T. Yong-Jin Han

We present a general framework for modeling power magnetic materials characteristics using deep neural networks. Magnetic materials represented by multidimensional characteristics (that mimic measurements) are used to train the neural…

Materials Science · Physics 2025-10-10 Paweł Leszczyński , Kamil Kutorasiński , Marcin Szewczyk , Jarosław Pawłowski