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Accurate modeling of the solvent environment for biological molecules is crucial for computational biology and drug design. A popular approach to achieve long simulation time scales for large system sizes is to incorporate the effect of the…

Computational Physics · Physics 2021-08-27 Yaoyi Chen , Andreas Krämer , Nicholas E. Charron , Brooke E. Husic , Cecilia Clementi , Frank Noé

Purpose: Accurate dose calculation is essential in radiotherapy for precise tumor irradiation while sparing healthy tissue. With the growing adoption of MRI-guided and real-time adaptive radiotherapy, fast and accurate dose calculation on…

Radiotherapy (RT) is a critical cancer treatment, with volumetric modulated arc therapy (VMAT) being a commonly used technique that enhances dose conformity by dynamically adjusting multileaf collimator (MLC) positions and monitor units…

Medical Physics · Physics 2025-06-26 Stefanos Achlatis , Efstratios Gavves , Jan-Jakob Sonke

Monte Carlo (MC) simulation is commonly considered to be the most accurate dose calculation method in radiotherapy. However, its efficiency still requires improvement for many routine clinical applications. In this paper, we present our…

Medical Physics · Physics 2015-05-28 Xun Jia , Xuejun Gu , Yan Jiang Graves , Michael Folkerts , Steve B. Jiang

Purpose: This is a theoretical simulation study for proof of concept of radiochromic film dosimetry to measure physical and biological doses without plan-based quenching correction for patient-specific quality assurance of carbon-ion…

Medical Physics · Physics 2019-03-25 Nobuyuki Kanematsu , Taku Inaniwa , Shunsuke Yonai , Hideyuki Mizuno

This paper reports on the use of a convolutional neural network (CNN) methodology to analyse fluorescence images of calcium-ion Coulomb crystals in the gas phase. A transfer-learning approach is adopted using the publicly available RESNET50…

Radiotherapy treatment planning often relies on time-consuming, trial-and-error adjustments that heavily depend on the expertise of specialists, while existing deep learning methods face limitations in generalization, prediction accuracy,…

Computer Vision and Pattern Recognition · Computer Science 2026-01-06 Hui Xie , Haiqin Hu , Lijuan Ding , Qing Li , Yue Sun , Tao Tan

Accurate simulations of atomistic systems from first principles are limited by computational cost. In high-throughput settings, machine learning can reduce these costs significantly by accurately interpolating between reference…

Chemical Physics · Physics 2022-11-28 Haoyan Huo , Matthias Rupp

Machine learning has emerged as an invaluable tool in many research areas. In the present work, we harness this power to predict highly accurate molecular infrared spectra with unprecedented computational efficiency. To account for…

Chemical Physics · Physics 2021-03-16 Michael Gastegger , Jörg Behler , Philipp Marquetand

Purpose: Accurate prediction of beam delivery time (BDT) is essential for operational efficiency, 4D dose calculations, and advanced proton therapy techniques. Despite its importance, no machine-specific BDT model exists for Mevion systems.…

Medical Physics · Physics 2026-02-12 Giorgio Cartechini , Francesco Giuseppe Cordoni , Mirko Unipan , Ilaria Rinaldi

Boron Neutron Capture Therapy (BNCT) is an innovative binary form of radiation therapy with high selectivity towards cancer tissue based on the neutron capture reaction 10B(n,$\alpha$)7Li, consisting in the exposition of patients to neutron…

Monte Carlo (MC) method has been recognized the most accurate dose calculation method for radiotherapy. However, its extremely long computation time impedes clinical applications. Recently, a lot of efforts have been made to realize fast MC…

Medical Physics · Physics 2017-02-08 Zhen Tian , Feng Shi , Michael Folkerts , Nan Qin , Steve B. Jiang , Xun Jia

The computation demand for machine learning (ML) has grown rapidly recently, which comes with a number of costs. Estimating the energy cost helps measure its environmental impact and finding greener strategies, yet it is challenging without…

Machine Learning · Computer Science 2021-04-26 David Patterson , Joseph Gonzalez , Quoc Le , Chen Liang , Lluis-Miquel Munguia , Daniel Rothchild , David So , Maud Texier , Jeff Dean

Introduction: The present study on the development and evaluation of an automated brain tumor segmentation technique based on deep learning using the 3D U-Net model. Objectives: The objective is to leverage state-of-the-art convolutional…

Image and Video Processing · Electrical Eng. & Systems 2024-04-10 Suman Sourabh , Murugappan Valliappan , Narayana Darapaneni , Anwesh R P

Medical imaging spans diverse tasks and modalities which play a pivotal role in disease diagnosis, treatment planning, and monitoring. This study presents a novel exploration, being the first to systematically evaluate segmentation,…

Image and Video Processing · Electrical Eng. & Systems 2025-02-27 Anyimadu Daniel Tweneboah , Suleiman Taofik Ahmed , Hossain Mohammad Imran

An important aspect in the development of small molecules as drugs or agro-chemicals is their systemic availability after intravenous and oral administration. The prediction of the systemic availability from the chemical structure of a…

Quantitative Methods · Quantitative Biology 2024-01-03 Florian Führer , Andrea Gruber , Holger Diedam , Andreas H. Göller , Stephan Menz , Sebastian Schneckener

Transfer learning (TL) for medical image segmentation helps deep learning models achieve more accurate performances when there are scarce medical images. This study focuses on completing segmentation of the ribs from lung ultrasound images…

Image and Video Processing · Electrical Eng. & Systems 2021-10-06 Dorothy Cheng , Edmund Y. Lam

Purpose: A new method for magnetic resonance (MR) imaging water-fat separation using a convolutional neural network (ConvNet) and deep learning (DL) is presented. Feasibility of the method with complex and magnitude images is demonstrated…

Computer Vision and Pattern Recognition · Computer Science 2017-11-03 James W Goldfarb

This study investigates the applicability of 3D dose predictions from a model trained on one modality to a cross-modality automated planning workflow. Additionally, we explore the impact of integrating a multi-criteria optimizer on adapting…

Medical Physics · Physics 2024-02-26 Gregory Szalkowski , Xuanang Xu , Shiva Das , Pew-Thian Yap , Jun Lian

We examine five machine learning-based architectures to estimate the droplet size distributions obtained using digital inline holography. The architectures, namely, U-Net, R2 U-Net, Attention U-Net, V-Net, and Residual U-Net are trained…

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