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The use of machine learning is becoming increasingly common in computational materials science. To build effective models of the chemistry of materials, useful machine-based representations of atoms and their compounds are required. We…

Materials Science · Physics 2021-08-02 Luis M. Antunes , Ricardo Grau-Crespo , Keith T. Butler

We introduce a composition-weighted symbolic regression framework for interpretable prediction of materials properties directly from chemical composition. The method jointly learns analytical functional forms and task-dependent elemental…

Materials Science · Physics 2026-05-05 Yang Huang , Jingrun Chen

Multimodal learning has been lacking principled ways of combining information from different modalities and learning a low-dimensional manifold of meaningful representations. We study multimodal learning and sensor fusion from a latent…

Machine Learning · Computer Science 2019-04-24 Lijiang Guo

An image-based deep learning framework is developed in this paper to predict damage and failure in microstructure-dependent composite materials. The work is motivated by the complexity and computational cost of high-fidelity simulations of…

Machine Learning · Computer Science 2022-06-07 Reza Sepasdar , Anuj Karpatne , Maryam Shakiba

Data driven materials discovery and optimization requires databases that are error free and experimentally verified. Performing material measurements are time-consuming and often restricted by the fact that material sample preparations are…

Materials Science · Physics 2020-03-30 Ning Liu , Achintha Ihalage , Hangfeng Zhang , Henry Giddens , Haixue Yan , Yang Hao

During multimodal model training and testing, certain data modalities may be absent due to sensor limitations, cost constraints, privacy concerns, or data loss, negatively affecting performance. Multimodal learning techniques designed to…

Computer Vision and Pattern Recognition · Computer Science 2026-02-05 Renjie Wu , Hu Wang , Hsiang-Ting Chen , Gustavo Carneiro

Evaluating the mechanical response of fiber-reinforced composites can be extremely time consuming and expensive. Machine learning (ML) techniques offer a means for faster predictions via models trained on existing input-output pairs and…

Materials Science · Physics 2024-10-03 Yixuan Sun , Imad Hanhan , Michael D. Sangid , Guang Lin

Image-based single-modality compression learning approaches have demonstrated exceptionally powerful encoding and decoding capabilities in the past few years , but suffer from blur and severe semantics loss at extremely low bitrates. To…

Image and Video Processing · Electrical Eng. & Systems 2023-04-27 Xuhao Jiang , Weimin Tan , Tian Tan , Bo Yan , Liquan Shen

Machine learning (ML) has seen promising developments in materials science, yet its efficacy largely depends on detailed crystal structural data, which are often complex and hard to obtain, limiting their applicability in real-world…

Materials Science · Physics 2024-12-10 Namkyeong Lee , Heewoong Noh , Gyoung S. Na , Jimeng Sun , Tianfan Fu , Marinka Zitnik , Chanyoung Park

Machine Learning (ML) has offered innovative perspectives for accelerating the discovery of new functional materials, leveraging the increasing availability of material databases. Despite the promising advances, data-driven methods face…

Recent advancements in machine learning have showcased its potential to significantly accelerate the discovery of new materials. Central to this progress is the development of rapidly computable property predictors, enabling the…

Materials Science · Physics 2024-04-16 Kohei Noda , Araki Wakiuchi , Yoshihiro Hayashi , Ryo Yoshida

Multimodal learning is a rapidly growing research field that has revolutionized multitasking and generative modeling in AI. While much of the research has focused on dealing with unstructured data (e.g., language, images, audio, or video),…

Artificial Intelligence · Computer Science 2024-03-11 Marco D Alessandro , Enrique Calabrés , Mikel Elkano

MobileNet and Binary Neural Networks are two among the most widely used techniques to construct deep learning models for performing a variety of tasks on mobile and embedded platforms.In this paper, we present a simple yet efficient scheme…

Computer Vision and Pattern Recognition · Computer Science 2019-08-01 Hai Phan , Dang Huynh , Yihui He , Marios Savvides , Zhiqiang Shen

High-throughput computational materials design promises to greatly accelerate the process of discovering new materials and compounds, and of optimizing their properties. The large databases of structures and properties that result from…

Chemical Physics · Physics 2016-11-22 Sandip De , Felix Musil , Teresa Ingram , Carsten Baldauf , Michele Ceriotti

Recent advances in modeling large-scale complex physical systems have shifted research focuses towards data-driven techniques. However, generating datasets by simulating complex systems can require significant computational resources.…

Machine Learning · Statistics 2022-08-22 Subhayan De , Matthew Reynolds , Malik Hassanaly , Ryan N. King , Alireza Doostan

Network embedding has proved extremely useful in a variety of network analysis tasks such as node classification, link prediction, and network visualization. Almost all the existing network embedding methods learn to map the node IDs to…

Machine Learning · Computer Science 2019-08-14 Tianshu Lyu , Fei Sun , Peng Jiang , Wenwu Ou , Yan Zhang

Learning compositional representation is a key aspect of object-centric learning as it enables flexible systematic generalization and supports complex visual reasoning. However, most of the existing approaches rely on auto-encoding…

Computer Vision and Pattern Recognition · Computer Science 2025-11-11 Whie Jung , Jaehoon Yoo , Sungjin Ahn , Seunghoon Hong

Many important multi-component crystalline solids undergo mechanochemical spinodal decomposition: a phase transformation in which the compositional redistribution is coupled with structural changes of the crystal, resulting in dynamically…

Computational Engineering, Finance, and Science · Computer Science 2023-07-19 Xiaoxuan Zhang , Krishna Garikipati

Metal-organic frameworks (MOFs) are porous, crystalline materials with high surface area, adjustable porosity, and structural tunability, making them ideal for diverse applications. However, traditional experimental and computational…

Biomolecules · Quantitative Biology 2024-12-17 Dong Chen , Chun-Long Chen , Guo-Wei Wei

Multimodal machine learning is a core research area spanning the language, visual and acoustic modalities. The central challenge in multimodal learning involves learning representations that can process and relate information from multiple…

Computation and Language · Computer Science 2018-08-07 Hai Pham , Thomas Manzini , Paul Pu Liang , Barnabas Poczos