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In this study, we propose Explainable Multimodal Machine Learning (EMML), which integrates the analysis of diverse data types (multimodal data) using factor analysis for feature extraction with Explainable AI (XAI), for carbon nanotube…

Materials Science · Physics 2025-02-12 Daisuke Kimura , Naoko Tajima , Toshiya Okazaki , Shun Muroga

Carbon fiber and graphene-based nanostructures such as carbon nanotubes (CNTs) and defective structures have extraordinary potential as strong and lightweight materials. A longstanding bottleneck has been lack of understanding and…

Materials Science · Physics 2021-10-26 Qi Zhao , Jordan J. Winetrout , Yanxun Xu , Yusu Wang , Hendrik Heinz

We present a pipeline for predicting mechanical properties of vertically-oriented carbon nanotube (CNT) forest images using a deep learning model for artificial intelligence (AI)-based materials discovery. Our approach incorporates an…

We present a novel interpretable machine learning model to accurately predict complex rippling deformations of Multi-Walled Carbon Nanotubes(MWCNTs) made of millions of atoms. Atomistic-physics-based models are accurate but computationally…

Computational Physics · Physics 2021-01-20 Upendra yadav , Shashank Pathrudkar , Susanta Ghosh

Recent advances in materials discovery have been driven by structure-based models, particularly those using crystal graphs. While effective for computational datasets, these models are impractical for real-world applications where atomic…

Machine Learning · Computer Science 2025-07-03 Jithendaraa Subramanian , Linda Hung , Daniel Schweigert , Santosh Suram , Weike Ye

We propose tabular two-dimensional correlation analysis for extracting features from multifaceted characterization data, essential for understanding material properties. This method visualizes similarities and phase lags in structural…

Classification and identification of the materials lying over or beneath the Earth's surface have long been a fundamental but challenging research topic in geoscience and remote sensing (RS) and have garnered a growing concern owing to the…

Computer Vision and Pattern Recognition · Computer Science 2020-08-13 Danfeng Hong , Lianru Gao , Naoto Yokoya , Jing Yao , Jocelyn Chanussot , Qian Du , Bing Zhang

Materials science datasets are inherently heterogeneous and are available in different modalities such as characterization spectra, atomic structures, microscopic images, and text-based synthesis conditions. The advancements in multi-modal…

Machine Learning · Computer Science 2024-11-14 Janghoon Ock , Joseph Montoya , Daniel Schweigert , Linda Hung , Santosh K. Suram , Weike Ye

Recent advancements in graph neural networks (GNNs) have significantly enhanced the prediction of material properties by modeling crystal structures as graphs. However, GNNs often struggle to capture global structural characteristics, such…

Machine Learning · Computer Science 2025-08-11 Jaewan Lee , Changyoung Park , Hongjun Yang , Sungbin Lim , Woohyung Lim , Sehui Han

To leverage advancements in machine learning for metallic materials design and property prediction, it is crucial to develop a data-reduced representation of metal microstructures that surpasses the limitations of current physics-based…

Videos are inherently multimodal. This paper studies the problem of how to fully exploit the abundant multimodal clues for improved video categorization. We introduce a hybrid deep learning framework that integrates useful clues from…

Multimedia · Computer Science 2017-06-15 Yu-Gang Jiang , Zuxuan Wu , Jinhui Tang , Zechao Li , Xiangyang Xue , Shih-Fu Chang

Most materials science datasets are limited to atomic geometries (e.g., XYZ files), restricting their utility for multimodal learning and comprehensive data-centric analysis. These constraints have historically impeded the adoption of…

Machine Learning · Computer Science 2025-07-22 Can Polat , Erchin Serpedin , Mustafa Kurban , Hasan Kurban

In many applications involving multi-media data, the definition of similarity between items is integral to several key tasks, e.g., nearest-neighbor retrieval, classification, and recommendation. Data in such regimes typically exhibits…

Artificial Intelligence · Computer Science 2010-09-01 Brian McFee , Gert Lanckriet

The widespread application of multimodal machine learning models like GPT-4 has revolutionized various research fields including computer vision and natural language processing. However, its implementation in materials informatics remains…

Materials Science · Physics 2023-09-12 Sheng Gong , Shuo Wang , Taishan Zhu , Yang Shao-Horn , Jeffrey C. Grossman

Multimodal remote sensing data, acquired from diverse sensors, offer a comprehensive and integrated perspective of the Earth's surface. Leveraging multimodal fusion techniques, semantic segmentation enables detailed and accurate analysis of…

Computer Vision and Pattern Recognition · Computer Science 2025-12-17 Xianping Ma , Xiaokang Zhang , Man-On Pun , Bo Huang

From biological organs to soft robotics, highly deformable materials are essential components of natural and engineered systems. These highly deformable materials can have heterogeneous material properties, and can experience heterogeneous…

Machine Learning · Computer Science 2023-08-31 Quan Nguyen , Emma Lejeune

Machine learning has emerged as a powerful approach in materials discovery. Its major challenge is selecting features that create interpretable representations of materials, useful across multiple prediction tasks. We introduce an…

Integrated Computational Materials Engineering (ICME) aims to accelerate optimal design of complex material systems by integrating material science and design automation. For tractable ICME, it is required that (1) a structural feature…

Materials Science · Physics 2017-05-01 Ruijin Cang , Yaopengxiao Xu , Shaohua Chen , Yongming Liu , Yang Jiao , Max Yi Ren

Multimodal learning has mainly focused on learning large models on, and fusing feature representations from, different modalities for better performances on downstream tasks. In this work, we take a detour from this trend and study the…

Computer Vision and Pattern Recognition · Computer Science 2023-05-08 Yifeng Shi , Marc Niethammer

In this work we propose simple, effective and computationally efficient transfer learning approaches for structure-property relation predictions in the context of materials, with highly informative input from different modalities. As…

Materials Science · Physics 2024-12-11 Dario Massa , Grzegorz Kaszuba , Stefanos Papanikolaou , Piotr Sankowski
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