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Determining material properties from camera images can expand the ability to identify complex objects in indoor environments, which is valuable for consumer robotics applications. To support this, we introduce MatPredict, a dataset that…

Computer Vision and Pattern Recognition · Computer Science 2025-05-20 Yuzhen Chen , Hojun Son , Arpan Kusari

Deep Learning has implemented a wide range of applications and has become increasingly popular in recent years. The goal of multimodal deep learning (MMDL) is to create models that can process and link information using various modalities.…

Machine Learning · Computer Science 2022-02-21 Jabeen Summaira , Xi Li , Amin Muhammad Shoib , Jabbar Abdul

Constrained image splicing detection and localization (CISDL) is a newly proposed challenging task for image forensics, which investigates two input suspected images and identifies whether one image has suspected regions pasted from the…

Computer Vision and Pattern Recognition · Computer Science 2018-09-11 Yaqi Liu , Xianfeng Zhao , Xiaobin Zhu , Yun Cao

Over the past decade inter-atomic potentials based on machine-learning (ML) techniques have become an indispensable tool in the atomic-scale modeling of materials. Trained on energies and forces obtained from electronic-structure…

Materials Science · Physics 2022-08-15 Michele Ceriotti

In the rapidly advancing field of multi-modal machine learning (MMML), the convergence of multiple data modalities has the potential to reshape various applications. This paper presents a comprehensive overview of the current state,…

Machine Learning · Computer Science 2023-07-31 Binyang Song , Rui Zhou , Faez Ahmed

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

Material defects (MD) represent a primary challenge affecting product performance and giving rise to safety issues in related products. The rapid and accurate identification and localization of MD constitute crucial research endeavors in…

Computer Vision and Pattern Recognition · Computer Science 2025-05-06 Jun Bai , Di Wu , Tristan Shelley , Peter Schubel , David Twine , John Russell , Xuesen Zeng , Ji Zhang

Designing composite materials as per the application requirements is fundamentally a challenging and time consuming task. Here we report the development of a deep neural network based computational framework capable of solving the forward…

Materials Science · Physics 2022-09-14 Ashank , Soumen Chakravarty , Pranshu Garg , Ankit Kumar , Manish Agrawal , Prabhat K. Agnihotri

Machine learning (ML) and artificial intelligence (AI) have the remarkable ability to classify, recognize, and characterize complex patterns and trends in large data sets. Here, we adopt a subclass of machine learning methods viz., deep…

Soft Condensed Matter · Physics 2021-06-09 Debjyoti Bhattacharya , Tarak K Patra

Deep learning (DL) inverse techniques have increased the speed of artificial electromagnetic material (AEM) design and improved the quality of resulting devices. Many DL inverse techniques have succeeded on a number of AEM design tasks, but…

Machine Learning · Computer Science 2021-12-21 Simiao Ren , Ashwin Mahendra , Omar Khatib , Yang Deng , Willie J. Padilla , Jordan M. Malof

Copolymers are highly versatile materials with a vast range of possible chemical compositions. By using computational methods for property prediction, the design of copolymers can be accelerated, allowing for the prioritization of…

Materials Science · Physics 2025-09-16 Elaheh Kazemi-Khasragh , Rocío Mercado , Carlos Gonzalez , Maciej Haranczyk

The problem of distance metric learning is mostly considered from the perspective of learning an embedding space, where the distances between pairs of examples are in correspondence with a similarity metric. With the rise and success of…

Computer Vision and Pattern Recognition · Computer Science 2019-09-10 Yehao Li , Ting Yao , Yingwei Pan , Hongyang Chao , Tao Mei

Geometric deep learning (GDL), which is based on neural network architectures that incorporate and process symmetry information, has emerged as a recent paradigm in artificial intelligence. GDL bears particular promise in molecular modeling…

Chemical Physics · Physics 2022-01-03 Kenneth Atz , Francesca Grisoni , Gisbert Schneider

Molecular property prediction, crucial for early drug candidate screening and optimization, has seen advancements with deep learning-based methods. While deep learning-based methods have advanced considerably, they often fall short in fully…

Biomolecules · Quantitative Biology 2024-07-01 Taojie Kuang , Yiming Ren , Zhixiang Ren

The aim of the inverse chemical design is to develop new molecules with given optimized molecular properties or objectives. Recently, generative deep learning (DL) networks are considered as the state-of-the-art in inverse chemical design…

Machine Learning · Computer Science 2019-10-10 Haoran Wei , Mariefel Olarte , Garrett B. Goh

Large language models (LLMs) have demonstrated rapid progress across a wide array of domains. Owing to the very large number of parameters and training data in LLMs, these models inherently encompass an expansive and comprehensive materials…

Materials Science · Physics 2024-11-20 Siyu Liu , Tongqi Wen , A. S. L. Subrahmanyam Pattamatta , David J. Srolovitz

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

Material scientists are increasingly adopting the use of machine learning (ML) for making potentially important decisions, such as, discovery, development, optimization, synthesis and characterization of materials. However, despite ML's…

Computational Physics · Physics 2019-03-12 Bhavya Kailkhura , Brian Gallagher , Sookyung Kim , Anna Hiszpanski , T. Yong-Jin Han

We report a deep learning (DL) framework viz. deep autoencoder that autonomously discovers an appropriate order parameter from molecular dynamics (MD) simulation data to characterize the coil to globule phase transition of a polymer. The…

Materials Science · Physics 2021-02-25 Debjyoti Bhattacharya , Tarak K Patra

A new paradigm is beginning to emerge in Radiology with the advent of increased computational capabilities and algorithms. This has led to the ability of real time learning by computer systems of different lesion types to help the…