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Purpose: To develop and evaluate an end-to-end deep learning pipeline for segmentation and analysis of cardiac magnetic resonance images to provide core-lab processing for a multi-centre registry of Fontan patients. Materials and Methods:…

We study policy gradient methods for continuous-action, entropy-regularized reinforcement learning through the lens of Wasserstein geometry. Starting from a Wasserstein proximal update, we derive Wasserstein Proximal Policy Gradient (WPPG)…

Machine Learning · Computer Science 2026-03-04 Zhaoyu Zhu , Shuhan Zhang , Rui Gao , Shuang Li

In many applications, it is important to reconstruct a fluid flow field, or some other high-dimensional state, from limited measurements and limited data. In this work, we propose a shallow neural network-based learning methodology for such…

Machine learning has the potential to revolutionize the field of molecular simulation through the development of efficient and accurate models of interatomic interactions. In particular, neural network models can describe interactions at…

Chemical Physics · Physics 2022-04-06 Ang Gao , Richard C. Remsing

Polymer particle size constitutes a crucial characteristic of product quality in polymerization. Raman spectroscopy is an established and reliable process analytical technology for in-line concentration monitoring. Recent approaches and…

Machine Learning · Computer Science 2024-03-14 Eleni D. Koronaki , Luise F. Kaven , Johannes M. M. Faust , Ioannis G. Kevrekidis , Alexander Mitsos

HollandPTC is an independent outpatient center for proton therapy, scientific research, and education. Patients with different types of cancer are treated with Intensity Modulated Proton Therapy (IMPT). In addition, the HollandPTC R&D…

In the present study, the capabilities of a new Convolutional Neural Network (CNN) model are explored with the paramount objective of reconstructing the temperature field of wall-bounded flows based on a limited set of measurement points…

Fluid Dynamics · Physics 2022-02-02 Victor Coppo Leite , Elia Merzari , Roberto Ponciroli , Lander Ibarra

This paper presents a feasibility study demonstrating that quantum machine learning (QML) algorithms achieve competitive performance on real-world medical imaging despite operating under severe constraints. We evaluate Equilibrium…

Emerging Technologies · Computer Science 2026-01-27 A. Bano , L. Liebovitch

The escalating interests on underwater exploration/reconnaissance applications have motivated high-rate data transmission from underwater to airborne relaying platforms, especially under high-sea scenarios. Thanks to its broad bandwidth and…

Signal Processing · Electrical Eng. & Systems 2024-09-06 Jiayue Liu , Tianqi Mao , Dongxuan He , Yang Yang , Zhen Gao , Dezhi Zheng , Jun Zhang

Convolutional Neural Network (CNN) is more and more widely used in various fileds, and its computation and memory-demand are also increasing significantly. In order to make it applicable to limited conditions such as embedded application,…

Computer Vision and Pattern Recognition · Computer Science 2022-11-01 Jiayi Yao , Ping Li , Xiatao Kang , Yuzhe Wang

Identifying minimum-energy paths (MEPs) is crucial for understanding chemical reaction mechanisms but remains computationally demanding. We introduce MEPIN, a scalable machine-learning method for efficiently predicting MEPs from reactant…

Chemical Physics · Physics 2026-02-18 Juno Nam , Miguel Steiner , Max Misterka , Soojung Yang , Avni Singhal , Rafael Gómez-Bombarelli

We study the Wasserstein metric to measure distances between molecules represented by the atom index dependent adjacency "Coulomb" matrix, used in kernel ridge regression based supervised learning. Resulting quantum machine learning models…

Chemical Physics · Physics 2025-04-01 Onur Çaylak , O. Anatole von Lilienfeld , Björn Baumeier

We propose a custom learning algorithm for shallow over-parameterized neural networks, i.e., networks with single hidden layer having infinite width. The infinite width of the hidden layer serves as an abstraction for the…

Machine Learning · Computer Science 2023-12-19 Alexis Teter , Iman Nodozi , Abhishek Halder

Accurate fluence map prediction is essential in intensity-modulated radiation therapy (IMRT) to maximize tumor coverage while minimizing dose to healthy tissues. Conventional optimization is time-consuming and dependent on planner…

Image and Video Processing · Electrical Eng. & Systems 2025-11-13 Ujunwa Mgboh , Rafi Sultan , Dongxiao Zhu , Joshua Kim

This research leverages Conformal Prediction (CP) in the form of Conformal Predictive Systems (CPS) to accurately estimate uncertainty in a suite of machine learning (ML)-based radio metric models [1] as well as in a 2-D map-based ML path…

Machine Learning · Computer Science 2025-01-14 Alexis Bose , Jonathan Ethier , Ryan G. Dempsey , Yifeng Qiu

Contrastive self-supervised learning (CSL) with a prototypical regularization has been introduced in learning meaningful representations for downstream tasks that require strong semantic information. However, to optimize CSL with a loss…

Computer Vision and Pattern Recognition · Computer Science 2022-10-20 Shentong Mo , Zhun Sun , Chao Li

The transport of excess protons and hydroxide ions in water underlies numerous important chemical and biological processes. Accurately simulating the associated transport mechanisms ideally requires utilizing ab initio molecular dynamics…

Chemical Physics · Physics 2023-08-15 Austin O. Atsango , Tobias Morawietz , Ondrej Marsalek , Thomas E. Markland

Background: Transrectal ultrasound guided systematic biopsies of the prostate is a routine procedure to establish a prostate cancer diagnosis. However, the 10-12 prostate core biopsies only sample a relatively small volume of the prostate,…

Image and Video Processing · Electrical Eng. & Systems 2022-04-20 Bojing Liu , Yinxi Wang , Philippe Weitz , Johan Lindberg , Johan Hartman , Lars Egevad , Henrik Grönberg , Martin Eklund , Mattias Rantalainen

Mobile robot path planning methods are often constrained by vast search spaces, resulting in latency in samplingbased algorithms. Learning-based approaches frequently suffer from local region fragmentation and global topological…

Robotics · Computer Science 2026-05-28 Zhanzheng Ma , Cancan Zhao , Shuai Zhang , Bo Ouyang

An enhanced geometric algorithm for automated pore-by-pore contact angle measurement from micro-CT images, is presented that achieves superior accuracy compared to existing methods through robust fluid-fluid and solid-fluid interface…

Computational Engineering, Finance, and Science · Computer Science 2025-07-03 Faisal Aljaberi , Hadi Belhaj , Sajjad Foroughi , Mohammed Al-Kobaisi , Martin Blunt