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Physical properties and functionalities of materials are dictated by global crystal structures as well as local defects. To establish a structure-property relationship, not only the crystallographic symmetry but also quantitative knowledge…

State estimation or filtering serves as a fundamental task to enable intelligent decision-making in applications such as autonomous vehicles, robotics, healthcare monitoring, smart grids, intelligent transportation, and predictive…

Machine Learning · Computer Science 2025-06-16 Aamir Hussain Chughtai

Data-driven discovery of partial differential equations (PDEs) has attracted increasing attention in recent years. Although significant progress has been made, certain unresolved issues remain. For example, for PDEs with high-order…

Machine Learning · Computer Science 2021-09-14 Hao Xu , Dongxiao Zhang , Nanzhe Wang

Deep Learning models are vulnerable to adversarial examples, i.e.\ images obtained via deliberate imperceptible perturbations, such that the model misclassifies them with high confidence. However, class confidence by itself is an incomplete…

Machine Learning · Statistics 2017-11-23 Ambrish Rawat , Martin Wistuba , Maria-Irina Nicolae

The willingness to trust predictions formulated by automatic algorithms is key in a vast number of domains. However, a vast number of deep architectures are only able to formulate predictions without an associated uncertainty. In this…

Image and Video Processing · Electrical Eng. & Systems 2022-09-28 Matteo Ferrante , Tommaso Boccato , Nicola Toschi

Crystal structure search is a long-standing challenge in materials design. We present a dataset of more than 100,000 structural relaxations of potential battery anode materials from randomized structures using density functional theory…

Materials Science · Physics 2023-03-10 Gowoon Cheon , Lusann Yang , Kevin McCloskey , Evan J. Reed , Ekin D. Cubuk

Accurate structural analysis is essential to gain physical knowledge and understanding of atomic-scale processes in materials from atomistic simulations. However, traditional analysis methods often reach their limits when applied to…

Deploying 3D single-photon Lidar imaging in real world applications faces multiple challenges including imaging in high noise environments. Several algorithms have been proposed to address these issues based on statistical or learning-based…

Image and Video Processing · Electrical Eng. & Systems 2022-04-28 Jakeoung Koo , Abderrahim Halimi , Stephen McLaughlin

The classifications approaches for the crystallographic symmetries of patterns that are more or less periodic in two dimensions are critically reviewed and their relative performance qualitatively evaluated. The information theory based…

Materials Science · Physics 2021-06-01 Peter Moeck

Identifying local structural motifs and packing patterns of molecular solids is a challenging task for both simulation and experiment. We demonstrate two novel approaches to characterize local environments in different polymorphs of…

Materials Science · Physics 2024-04-02 Daisuke Kuroshima , Michael Kilgour , Mark E. Tuckerman , Jutta Rogal

Crystal structure modeling with graph neural networks is essential for various applications in materials informatics, and capturing SE(3)-invariant geometric features is a fundamental requirement for these networks. A straightforward…

Machine Learning · Computer Science 2025-03-05 Yusei Ito , Tatsunori Taniai , Ryo Igarashi , Yoshitaka Ushiku , Kanta Ono

As the number of heterogenous IP-connected devices and traffic volume increase, so does the potential for security breaches. The undetected exploitation of these breaches can bring severe cybersecurity and privacy risks. Anomaly-based…

Machine Learning · Computer Science 2022-12-15 Willian T. Lunardi , Martin Andreoni Lopez , Jean-Pierre Giacalone

Noise, corruptions and variations in face images can seriously hurt the performance of face recognition systems. To make such systems robust, multiclass neuralnetwork classifiers capable of learning from noisy data have been suggested.…

Artificial Intelligence · Computer Science 2016-02-17 J. Uglov , V. Schetinin , C. Maple

Medical Imagings are considered one of the crucial diagnostic tools for different bones-related diseases, especially bones fractures. This paper investigates the robustness of pre-trained deep learning models for classifying bone fractures…

Image and Video Processing · Electrical Eng. & Systems 2025-07-15 Robby Hoover , Nelly Elsayed , Zag ElSayed , Chengcheng Li

Bayesian networks are probabilistic graphical models often used in big data analytics. The problem of exact structure learning is to find a network structure that is optimal under certain scoring criteria. The problem is known to be NP-hard…

Artificial Intelligence · Computer Science 2017-03-22 Subhadeep Karan , Jaroslaw Zola

The inner structure of a material is called microstructure. It stores the genesis of a material and determines all its physical and chemical properties. While microstructural characterization is widely spread and well known, the…

Computer Vision and Pattern Recognition · Computer Science 2018-02-16 Seyed Majid Azimi , Dominik Britz , Michael Engstler , Mario Fritz , Frank Mücklich

We suggest new modification (we call it a noise reduction procedure) for Steinhardt parameters which are often used for detecting crystalline structures in computer simulation of solids and soft matter systems. We have also developed a new…

Computational Physics · Physics 2024-04-25 Evgeniia Filimonova , Viktor Ivanov , Timur Shakirov

Deep metric learning algorithms have been utilized to learn discriminative and generalizable models which are effective for classifying unseen classes. In this paper, a novel noise tolerant deep metric learning algorithm is proposed. The…

Machine Learning · Computer Science 2019-04-09 Soumyadeep Ghosh , Richa Singh , Mayank Vatsa

In recent years, large convolutional neural networks have been widely used as tools for image deblurring, because of their ability in restoring images very precisely. It is well known that image deblurring is mathematically modeled as an…

Computer Vision and Pattern Recognition · Computer Science 2023-06-01 Davide Evangelista , Elena Morotti , Elena Loli Piccolomini , James Nagy

In recent years, mobile Internet has accelerated the proliferation of smart mobile development. The mobile payment, mobile security and privacy protection have become the focus of widespread attention. Iris recognition becomes a…

Computer Vision and Pattern Recognition · Computer Science 2020-06-16 Siming Zheng , Rahmita Wirza O. K. Rahmat , Fatimah Khalid , Nurul Amelina Nasharuddin