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Artificial neural networks, widely recognised for their role in machine learning, are now transforming the study of ordinary differential equations (ODEs), bridging data-driven modelling with classical dynamical systems and enabling the…

Optimization and Control · Mathematics 2025-04-15 Dario Izzo , Sebastien Origer , Giacomo Acciarini , Francesco Biscani

Current supervised learning can learn spurious correlation during the data-fitting process, imposing issues regarding interpretability, out-of-distribution (OOD) generalization, and robustness. To avoid spurious correlation, we propose a…

Machine Learning · Computer Science 2021-04-29 Xinwei Sun , Botong Wu , Xiangyu Zheng , Chang Liu , Wei Chen , Tao Qin , Tie-yan Liu

Physiologically Based Pharmacokinetic (PBPK) modeling is a cornerstone of model-informed drug development (MIDD), providing a mechanistic framework to predict drug absorption, distribution, metabolism, and excretion (ADME). Despite its…

Machine Learning · Computer Science 2026-02-24 Shunqi Liu , Han Qiu , Tong Wang

Time series with non-uniform intervals occur in many applications, and are difficult to model using standard recurrent neural networks (RNNs). We generalize RNNs to have continuous-time hidden dynamics defined by ordinary differential…

Machine Learning · Computer Science 2019-07-10 Yulia Rubanova , Ricky T. Q. Chen , David Duvenaud

We present two deep generative models based on Variational Autoencoders to improve the accuracy of drug response prediction. Our models, Perturbation Variational Autoencoder and its semi-supervised extension, Drug Response Variational…

Machine Learning · Statistics 2017-07-07 Ladislav Rampasek , Daniel Hidru , Petr Smirnov , Benjamin Haibe-Kains , Anna Goldenberg

Referral workflow inefficiencies, including misaligned referrals and delays, contribute to suboptimal patient outcomes and higher healthcare costs. In this study, we investigated the possibility of predicting procedural needs based on…

Focused ultrasound (FUS) therapy is a promising tool for optimally targeted treatment of spinal cord injuries (SCI), offering submillimeter precision to enhance blood flow at injury sites while minimizing impact on surrounding tissues.…

Medical Physics · Physics 2024-12-23 Avisha Kumar , Xuzhe Zhi , Zan Ahmad , Minglang Yin , Amir Manbachi

Ordinary differential equations (ODEs) provide a powerful framework for modeling dynamic systems arising in a wide range of scientific domains. However, most existing ODE methods focus on a single system, and do not adequately address the…

Methodology · Statistics 2026-04-08 Shuoxun Xu , Zijian Guo , Brooke R. Staveland , Robert T. Knight , Lexin Li

Neural posterior estimation (NPE) and neural likelihood estimation (NLE) are machine learning approaches that provide accurate posterior, and likelihood, approximations in complex modeling scenarios, and in situations where conducting…

Machine Learning · Statistics 2024-11-20 David T. Frazier , Ryan Kelly , Christopher Drovandi , David J. Warne

Accurate estimation of aleatoric and epistemic uncertainty is crucial to build safe and reliable systems. Traditional approaches, such as dropout and ensemble methods, estimate uncertainty by sampling probability predictions from different…

Machine Learning · Computer Science 2020-10-23 Bertrand Charpentier , Daniel Zügner , Stephan Günnemann

Neural Jump ODEs model the conditional expectation between observations by neural ODEs and jump at arrival of new observations. They have demonstrated effectiveness for fully data-driven online forecasting in settings with irregular and…

Machine Learning · Statistics 2025-08-19 Jakob Heiss , Florian Krach , Thorsten Schmidt , Félix B. Tambe-Ndonfack

The longitudinal analysis of patient response time course following doses of therapeutics is currently performed using Pharmacokinetic/Pharmacodynamic (PK/PD) methodologies, which requires significant human experience and expertise in the…

Machine Learning · Computer Science 2021-06-24 James Lu , Brendan Bender , Jin Y. Jin , Yuanfang Guan

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

Precision medicine for chronic diseases such as multiple sclerosis (MS) involves choosing a treatment which best balances efficacy and side effects/preferences for individual patients. Making this choice as early as possible is important,…

Image and Video Processing · Electrical Eng. & Systems 2022-09-23 Joshua Durso-Finley , Jean-Pierre R. Falet , Brennan Nichyporuk , Douglas L. Arnold , Tal Arbel

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

Modeling a system's temporal behaviour in reaction to external stimuli is a fundamental problem in many areas. Pure Machine Learning (ML) approaches often fail in the small sample regime and cannot provide actionable insights beyond…

Machine Learning · Computer Science 2021-06-18 Zhaozhi Qian , William R. Zame , Lucas M. Fleuren , Paul Elbers , Mihaela van der Schaar

The diagnostic accuracy and subjectivity of existing Knee Osteoarthritis (OA) ordinal grading systems has been a subject of on-going debate and concern. Existing automated solutions are trained to emulate these imperfect systems, whilst…

Machine Learning · Computer Science 2025-05-30 Niamh Belton , Aonghus Lawlor , Kathleen M. Curran

We designed a new artificial neural network by modifying the neural ordinary differential equation (NODE) framework to successfully predict the time evolution of the 2D mode profile in both the linear growth and nonlinear saturated stages.…

Plasma Physics · Physics 2024-11-11 Bowen Zhu , Hao Wang , Jian Wu , Haijun Ren

Drug discovery is a complex and resource-intensive process, making early prediction of approval outcomes critical for optimizing research investments. While classical machine learning and deep learning methods have shown promise in drug…

Purpose: We present a framework for robust automated treatment planning using machine learning, comprising scenario-specific dose prediction and robust dose mimicking. Methods: The scenario dose prediction pipeline is divided into the…

Medical Physics · Physics 2022-10-12 Oskar Eriksson , Tianfang Zhang
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