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Geometric machine learning models such as graph neural networks have achieved remarkable success in recent years in chemical and materials science research for applications such as high-throughput virtual screening and atomistic…

Materials Science · Physics 2025-04-16 Lingyu Kong , Nima Shoghi , Guoxiang Hu , Pan Li , Victor Fung

Explainable AI (XAI) in medical histopathology is essential for enhancing the interpretability and clinical trustworthiness of deep learning models in cancer diagnosis. However, the black-box nature of these models often limits their…

Image and Video Processing · Electrical Eng. & Systems 2025-05-06 Raktim Kumar Mondol , Ewan K. A. Millar , Peter H. Graham , Lois Browne , Arcot Sowmya , Erik Meijering

In the realm of neuroimaging research, the demand for efficient and accurate simulation tools for functional magnetic resonance imaging (fMRI) data is ever increasing. We present SHAKER, a comprehensive MATLAB package for simulating…

Applications · Statistics 2025-02-26 John C. Bodenschatz , Daniel B. Rowe

Magnetic resonance imaging (MRI) offers superior soft tissue contrast and is widely used in biomedicine. However, conventional MRI is not quantitative, which presents a bottleneck in image analysis and digital healthcare. Typically,…

The increasing complexity and diversity of hardware accelerators in modern computing systems demand flexible, low-overhead program analysis tools. We present PASTA, a low-overhead and modular Program AnalysiS Tool Framework for…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-02-26 Mao Lin , Hyeran Jeon , Keren Zhou

The Medial Axis Transform (MAT) is a complete shape descriptor capable of reconstructing the geometry of the original domain. A high-quality MAT should not only facilitate high-fidelity reconstruction but also capture structural features --…

Graphics · Computer Science 2026-05-05 Pengfei Wang , Shuangmin Chen , Dongming Yan , Ying He , Shiqing Xin , Changhe Tu , Wenping Wang

We present MARUT, a scalable multi-GPU computational fluid dynamics (CFD) framework designed for high-fidelity simulations of compressible flows spanning subsonic to hypersonic regimes, including chemically reacting nonequilibrium flows…

Computational Physics · Physics 2026-05-29 Trishit Mondal , Ameya D. Jagtap

A Whole Slide Image (WSI) is a high-resolution digital image created by scanning an entire glass slide containing a biological specimen, such as tissue sections or cell samples, at multiple magnifications. These images are digitally…

Domain adaptation (DA) is an important technique for modern machine learning-based medical data analysis, which aims at reducing distribution differences between different medical datasets. A proper domain adaptation method can…

Computer Vision and Pattern Recognition · Computer Science 2022-09-27 Hao Guan , Mingxia Liu

Deep learning models have made significant advances in histological prediction tasks in recent years. However, for adaptation in clinical practice, their lack of robustness to varying conditions such as staining, scanner, hospital, and…

Image and Video Processing · Electrical Eng. & Systems 2025-06-23 David Jacob Drexlin , Jonas Dippel , Julius Hense , Niklas Prenißl , Grégoire Montavon , Frederick Klauschen , Klaus-Robert Müller

Motivation: Digitization of pathology laboratories through digital slide scanners and advances in deep learning approaches for objective histological assessment have resulted in rapid progress in the field of computational pathology (CPath)…

Machine Learning · Computer Science 2022-01-31 Alex Foote , Amina Asif , Nasir Rajpoot , Fayyaz Minhas

Advancements in AI have greatly enhanced the medical imaging process, making it quicker to diagnose patients. However, very few have investigated the optimization of a multi-model system with hardware acceleration. As specialized edge…

Hardware Architecture · Computer Science 2025-10-03 Ashiyana Abdul Majeed , Mahmoud Meribout , Safa Mohammed Sali

Monte-Carlo diffusion simulations are a powerful tool for validating tissue microstructure models by generating synthetic diffusion-weighted magnetic resonance images (DW-MRI) in controlled environments. This is fundamental for…

Computational Engineering, Finance, and Science · Computer Science 2023-05-26 Juan Luis Villarreal-Haro , Remy Gardier , Erick J Canales-Rodriguez , Elda Fischi Gomez , Gabriel Girard , Jean-Philippe Thiran , Jonathan Rafael-Patino

We propose ReMiDi, a novel method for inferring neuronal microstructure as arbitrary 3D meshes using a differentiable diffusion Magnetic Resonance Imaging (dMRI) simulator. We first implemented in PyTorch a differentiable dMRI simulator…

Image and Video Processing · Electrical Eng. & Systems 2025-03-03 Prathamesh Pradeep Khole , Zahra Kais Petiwala , Shri Prathaa Magesh , Ehsan Mirafzali , Utkarsh Gupta , Jing-Rebecca Li , Andrada Ianus , Razvan Marinescu

This paper introduces an innovative software system for fundus image analysis that deliberately diverges from the conventional screening approach, opting not to predict specific diagnoses. Instead, our methodology mimics the diagnostic…

Computer Vision and Pattern Recognition · Computer Science 2025-01-27 Dmitry Ryabtsev , Boris Vasilyev , Sergey Shershakov

We present the Open MatSci ML Toolkit: a flexible, self-contained, and scalable Python-based framework to apply deep learning models and methods on scientific data with a specific focus on materials science and the OpenCatalyst Dataset. Our…

Machine Learning · Computer Science 2023-09-01 Santiago Miret , Kin Long Kelvin Lee , Carmelo Gonzales , Marcel Nassar , Matthew Spellings

We present brat (brain report alignment transformer), a multi-view representation learning framework for brain magnetic resonance imaging (MRI) trained on MRIs paired with clinical reports. Brain MRIs present unique challenges due to the…

Computer Vision and Pattern Recognition · Computer Science 2025-12-23 Maxime Kayser , Maksim Gridnev , Wanting Wang , Max Bain , Aneesh Rangnekar , Avijit Chatterjee , Aleksandr Petrov , Harini Veeraraghavan , Nathaniel C. Swinburne

Mass spectrometry imaging (MSI) as an analytical tool for bio-molecular and bio-medical research targets, accurate compound localization and identification. In terms of dedicated instrumentation, this translates into the demand for more…

Instrumentation and Detectors · Physics 2013-05-24 Julia H. Jungmann , Ron M. A. Heeren

Curating, processing, and combining large-scale medical imaging datasets from national studies is a non-trivial task due to the intense computation and data throughput required, variability of acquired data, and associated financial…