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An essential component in proton radiotherapy is the algorithm to calculate the radiation dose to be delivered to the patient. The most common dose algorithms are fast but they are approximate analytical approaches. However their level of…

Medical Physics · Physics 2015-05-20 Pablo P Yepes , Dragan Mirkovic , Phillip J Taddei

Machine Learning (ML) applications on healthcare can have a great impact on people's lives helping deliver better and timely treatment to those in need. At the same time, medical data is usually big and sparse requiring important…

Machine Learning · Computer Science 2018-12-27 Dianbo Liu , Nestor Sepulveda , Ming Zheng

We present an accurate machine learning (ML) model for atomistic simulations of carbon, constructed using the Gaussian approximation potential (GAP) methodology. The potential, named GAP-20, describes the properties of the bulk crystalline…

Computational Physics · Physics 2020-08-26 Patrick Rowe , Volker L Deringer , Piero Gasparotto , Gábor Csányi , Angelos Michaelides

In high energy density physics (HEDP) and inertial confinement fusion (ICF), predictive modeling is complicated by uncertainty in parameters that characterize various aspects of the modeled system, such as those characterizing material…

As deep learning is widely used in the radiology field, the explainability of such models is increasingly becoming essential to gain clinicians' trust when using the models for diagnosis. In this research, three experiment sets were…

Image and Video Processing · Electrical Eng. & Systems 2022-07-04 Akino Watanabe , Sara Ketabi , Khashayar , Namdar , Farzad Khalvati

Objective: The objective of this study is to develop a machine learning (ML)-based framework for early risk stratification of clinical trials (CTs) according to their likelihood of exhibiting a high rate of dosing errors, using information…

Machine Learning · Computer Science 2026-02-27 Félicien Hêche , Sohrab Ferdowsi , Anthony Yazdani , Sara Sansaloni-Pastor , Douglas Teodoro

Modeling the ion concentration profile in nanochannel plays an important role in understanding the electrical double layer and electroosmotic flow. Due to the non-negligible surface interaction and the effect of discrete solvent molecules,…

Machine Learning · Computer Science 2023-12-19 Zhonglin Cao , Yuyang Wang , Cooper Lorsung , Amir Barati Farimani

The Fast Dose Calculator (FDC), a track repeating algorithm Monte Carlo method was initially developed for proton therapy. The validation for proton therapy has been demonstrated in a previous work. This method can be expanded to ion…

Medical Physics · Physics 2018-09-18 Qianxia Wang , Antony Adair , Yu Deng , Hongliang Chen , M Moyers , James Lin , Pablo Yepes

Purpose: In treatment planning of charged-particle radiotherapy, patient heterogeneity is conventionally modeled as variable-density water converted from CT images to best reproduce the stopping power, which may lead to inaccuracies in the…

Medical Physics · Physics 2013-01-08 Nobuyuki Kanematsu , Taku Inaniwa , Yusuke Koba

Medical imaging is essential in healthcare to provide key insights into patient anatomy and pathology, aiding in diagnosis and treatment. Non-invasive techniques such as X-ray, Magnetic Resonance Imaging (MRI), Computed Tomography (CT), and…

Image and Video Processing · Electrical Eng. & Systems 2024-12-04 Fnu Neha , Deepshikha Bhati , Deepak Kumar Shukla , Sonavi Makarand Dalvi , Nikolaos Mantzou , Safa Shubbar

Ionic Liquids (ILs) provide a promising solution for CO$_2$ capture and storage to mitigate global warming. However, identifying and designing the high-capacity IL from the giant chemical space requires expensive, and exhaustive simulations…

Chemical Physics · Physics 2022-11-10 Yue Jian , Yuyang Wang , Amir Barati Farimani

Purpose: We implemented the Machine Learning (ML) aided k-t SENSE reconstruction to enable high resolution quantitative real-time phase contrast MR (PCMR). Methods: A residual U-net and our U-net M were used to generate the high resolution…

It is possible to find the optimized radiation dose per session for a radiotherapy (RT) treatment, using a population dynamics model. This has already been done in a previous work for a protocol with 30 sessions and a fixed dose per…

Radiation therapy is the primary method used to treat cancer in the clinic. Its goal is to deliver a precise dose to the planning target volume (PTV) while protecting the surrounding organs at risk (OARs). However, the traditional workflow…

Image and Video Processing · Electrical Eng. & Systems 2024-04-10 Tara Gheshlaghi , Shahabedin Nabavi , Samire Shirzadikia , Mohsen Ebrahimi Moghaddam , Nima Rostampour

Near infrared diffuse optical tomography (DOT) provides an imaging modality for the oxygenation of tissue. In this paper, we propose a novel machine learning algorithm based on time-domain radiative transfer equation. We use temporal…

Medical Physics · Physics 2020-11-26 Yu-ichi Takamizu , Masayuki Umemura , Hidenobu Yajima , Makito Abe , Yoko Hoshi

Chemistry Foundation Models (CFMs) that leverage Graph Neural Networks (GNNs) operating on 3D molecular graph structures are becoming indispensable tools for computational chemists and materials scientists. These models facilitate the…

Deep learning has facilitated the automation of radiotherapy by predicting accurate dose distribution maps. However, existing methods fail to derive the desirable radiotherapy parameters that can be directly input into the treatment…

Computer Vision and Pattern Recognition · Computer Science 2024-03-01 Jiaqi Cui , Yuanyuan Xu , Jianghong Xiao , Yuchen Fei , Jiliu Zhou , Xingcheng Peng , Yan Wang

Brain tumor classification using MRI images is critical in medical diagnostics, where early and accurate detection significantly impacts patient outcomes. While recent advancements in deep learning (DL), particularly CNNs, have shown…

Image and Video Processing · Electrical Eng. & Systems 2025-03-03 Priyam Ganguly , Akhilbaran Ghosh

Molecular-orbital-based machine learning (MOB-ML) provides a general framework for the prediction of accurate correlation energies at the cost of obtaining molecular orbitals. We demonstrate the importance of preserving physical…

Chemical Physics · Physics 2021-03-17 Tamara Husch , Jiace Sun , Lixue Cheng , Sebastian J. R. Lee , Thomas F. Miller

Cell painting is a popular technique for creating human-interpretable, high-contrast images of cell morphology. There are two major issues with cell paint: (1) it is labor-intensive and (2) it requires chemical fixation, making the study of…

Computer Vision and Pattern Recognition · Computer Science 2025-12-16 Alexander Peysakhovich , William Berman , Joseph Rufo , Felix Wong , Maxwell Z. Wilson