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Gaussian Mixture Models (GMMs) range among the most frequently used models in machine learning. However, training large, general GMMs becomes computationally prohibitive for datasets that have many data points $N$ of high-dimensionality…

Machine Learning · Statistics 2025-12-12 Sebastian Salwig , Till Kahlke , Florian Hirschberger , Dennis Forster , Jörg Lücke

Rapid advancements in machine learning (ML) are transforming materials science by significantly speeding up material property calculations. However, the proliferation of ML approaches has made it challenging for scientists to keep up with…

Machine Learning · Computer Science 2024-07-12 Ali Ramlaoui , Théo Saulus , Basile Terver , Victor Schmidt , David Rolnick , Fragkiskos D. Malliaros , Alexandre Duval

We define a novel type of ensemble Graph Convolutional Network (GCN) model. Using optimized linear projection operators to map between spatial scales of graph, this ensemble model learns to aggregate information from each scale for its…

Machine Learning · Computer Science 2020-04-08 C. B. Scott , Eric Mjolsness

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…

We consider feature representation learning problem of molecular graphs. Graph Neural Networks have been widely used in feature representation learning of molecular graphs. However, most existing methods deal with molecular graphs…

Machine Learning · Computer Science 2022-06-08 Zhaoning Yu , Hongyang Gao

Recently, outstanding identification rates in image classification tasks were achieved by convolutional neural networks (CNNs). to use such skills, selective CNNs trained on a dataset of well-known images of metal surface defects captured…

Computer Vision and Pattern Recognition · Computer Science 2024-06-24 Nadeem Jabbar Chaudhry , M. Bilal Khan , M. Javaid Iqbal , Siddiqui Muhammad Yasir

Bilevel optimization refers to scenarios whereby the optimal solution of a lower-level energy function serves as input features to an upper-level objective of interest. These optimal features typically depend on tunable parameters of the…

Machine Learning · Computer Science 2024-03-08 Amber Yijia Zheng , Tong He , Yixuan Qiu , Minjie Wang , David Wipf

Monocular depth estimation (MDE) has witnessed remarkable progress driven by Convolutional Neural Networks and transformer-based architectures. However, these approaches typically treat the problem as a generic image-to-image regression on…

Computer Vision and Pattern Recognition · Computer Science 2026-04-28 Qianlei Wang , Kexun Chen , Shaolin Zhang , Hongli Gao , Chaoning Zhang , Xiaolin Qin

Flow-Imaging Microscopy (FIM) is commonly used in both academia and industry to characterize subvisible particles (those $\le 25 \mu m$ in size) in protein therapeutics. Pharmaceutical companies are required to record vast volumes of FIM…

Quantitative Methods · Quantitative Biology 2017-09-04 Christopher P. Calderon , Austin L. Daniels , Theodore W. Randolph

Particulate composites underpin many solid-state chemical and electrochemical systems, where microstructural features such as multiphase boundaries and inter-particle connections strongly influence system performance. Advances in X-ray…

Materials Science · Physics 2026-05-19 Zebin Li , Shimao Deng , Yijin Liu , Jia-Mian Hu

In the rapidly evolving research on artificial intelligence (AI) the demand for fast, computationally efficient, and scalable solutions has increased in recent years. The problem of optimizing the computing resources for distributed machine…

Machine Learning · Computer Science 2025-10-30 Mohammadreza Doostmohammadian , Zulfiya R. Gabidullina , Hamid R. Rabiee

Cross-View Geo-Localization (CVGL) involves determining the localization of drone images by retrieving the most similar GPS-tagged satellite images. However, the imaging gaps between platforms are often significant and the variations in…

Computer Vision and Pattern Recognition · Computer Science 2025-05-27 Zhongwei Chen , Zhao-Xu Yang , Hai-Jun Rong

Leveraging scanning tunneling microscopy (STM) for atomic-scale fabrication has led to many advancements such as the creation of atomic electron-spin qubit structures on surfaces. However, the time-consuming and tedious nature of this…

Mesoscale and Nanoscale Physics · Physics 2024-10-18 Angéline Lafleur , Soo-hyon Phark

Microstructural evolution is a key aspect of understanding and exploiting the structure-property-performance relation of materials. Modeling microstructure evolution usually relies on coarse-grained simulations with evolution principles…

Materials Science · Physics 2020-09-01 Kaiqi Yang , Yifan Cao , Youtian Zhang , Ming Tang , Daniel Aberg , Babak Sadigh , Fei Zhou

Global climate models (GCMs), typically run at ~100-km resolution, capture large-scale environmental conditions but cannot resolve convection and cloud processes at kilometer scales. Convection-permitting models offer higher-resolution…

Atmospheric and Oceanic Physics · Physics 2026-05-12 Hungjui Yu , Lander Ver Hoef , Kristen L. Rasmussen , Imme Ebert-Uphoff

The high demand for fabricating microresonators with desired optical properties has led to various techniques to optimize geometries, mode structures, nonlinearities and dispersion. Depending on applications, the dispersion in such…

Machine Learning · Computer Science 2023-03-22 Arghadeep Pal , Alekhya Ghosh , Shuangyou Zhang , Toby Bi , Pascal DeľHaye

In this research work, we have demonstrated the application of Mask-RCNN (Regional Convolutional Neural Network), a deep-learning algorithm for computer vision and specifically object detection, to semiconductor defect inspection domain.…

Computer Vision and Pattern Recognition · Computer Science 2022-11-07 Bappaditya Dey , Enrique Dehaerne , Kasem Khalil , Sandip Halder , Philippe Leray , Magdy A. Bayoumi

Long-term visual localization is the problem of estimating the camera pose of a given query image in a scene whose appearance changes over time. It is an important problem in practice, for example, encountered in autonomous driving. In…

Computer Vision and Pattern Recognition · Computer Science 2019-08-20 Måns Larsson , Erik Stenborg , Carl Toft , Lars Hammarstrand , Torsten Sattler , Fredrik Kahl

GPU kernels have come to the forefront of computing due to their utility in varied fields, from high-performance computing to machine learning. A typical GPU compute kernel is invoked millions, if not billions of times in a typical…

Machine Learning · Computer Science 2024-04-18 Khawir Mahmood , Jehandad Khan , Hammad Afzal

Segmentation of white matter lesions and deep grey matter structures is an important task in the quantification of magnetic resonance imaging in multiple sclerosis. In this paper we explore segmentation solutions based on convolutional…