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Artificial intelligence (AI) technology has demonstrated remarkable potential in drug dis-covery, where pharmacokinetics plays a crucial role in determining the dosage, safety, and efficacy of new drugs. A major challenge for AI-driven drug…

Quantitative Methods · Quantitative Biology 2024-04-17 Ruifeng Li , Dongzhan Zhou , Ancheng Shen , Ao Zhang , Mao Su , Mingqian Li , Hongyang Chen , Gang Chen , Yin Zhang , Shufei Zhang , Yuqiang Li , Wanli Ouyang

We propose a deformable registration algorithm based on unsupervised learning of a low-dimensional probabilistic parameterization of deformations. We model registration in a probabilistic and generative fashion, by applying a conditional…

Computer Vision and Pattern Recognition · Computer Science 2018-07-23 Julian Krebs , Tommaso Mansi , Boris Mailhé , Nicholas Ayache , Hervé Delingette

Background: Pharmacokinetic evaluation is one of the key processes in drug discovery and development. However, current absorption, distribution, metabolism, excretion prediction models still have limited accuracy. Aim: This study aims to…

Machine Learning · Computer Science 2018-12-27 Zhuyifan Ye , Yilong Yang , Xiaoshan Li , Dongsheng Cao , Defang Ouyang

Solving parametric Partial Differential Equations (PDEs) for a broad range of parameters is a critical challenge in scientific computing. To this end, neural operators, which \textcolor{black}{predicts the PDE solution with variable PDE…

Numerical Analysis · Mathematics 2024-11-14 Weiheng Zhong , Hadi Meidani

Motivation: Drug discovery demands rapid quantification of compound-protein interaction (CPI). However, there is a lack of methods that can predict compound-protein affinity from sequences alone with high applicability, accuracy, and…

Biomolecules · Quantitative Biology 2020-12-17 Mostafa Karimi , Di Wu , Zhangyang Wang , Yang Shen

Magnetic resonance (MR) and computer tomography (CT) images are two typical types of medical images that provide mutually-complementary information for accurate clinical diagnosis and treatment. However, obtaining both images may be limited…

Image and Video Processing · Electrical Eng. & Systems 2023-06-02 Jiayuan Wang , Q. M. Jonathan Wu , Farhad Pourpanah

We present a novel approach for training deep neural networks in a Bayesian way. Classical, i.e. non-Bayesian, deep learning has two major drawbacks both originating from the fact that network parameters are considered to be deterministic.…

Machine Learning · Statistics 2019-03-11 Konstantin Posch , Jan Steinbrener , Jürgen Pilz

Data-driven discovery of partial differential equations (PDEs) has attracted increasing attention in recent years. Although significant progress has been made, certain unresolved issues remain. For example, for PDEs with high-order…

Machine Learning · Computer Science 2021-09-14 Hao Xu , Dongxiao Zhang , Nanzhe Wang

Getting rid of the fundamental limitations in fitting to the paired training data, recent unsupervised low-light enhancement methods excel in adjusting illumination and contrast of images. However, for unsupervised low light enhancement,…

Computer Vision and Pattern Recognition · Computer Science 2022-07-05 Zhangkai Ni , Wenhan Yang , Hanli Wang , Shiqi Wang , Lin Ma , Sam Kwong

Separating shared and independent features is crucial for multi-phase contrast-enhanced (CE) MRI synthesis. However, existing methods use deep autoencoder generators with low parameter efficiency and lack interpretable training strategies.…

Computer Vision and Pattern Recognition · Computer Science 2025-10-06 Xiaoyan Kui , Qianmu Xiao , Qqinsong Li , Zexin Ji , JIelin Zhang , Beiji Zou

As deep learning-based systems have become an integral part of everyday life, limitations in their generalization ability have begun to emerge. Machine learning algorithms typically rely on the i.i.d. assumption, meaning that their training…

Computer Vision and Pattern Recognition · Computer Science 2024-07-25 Aristotelis Ballas , Christos Diou

To detect the existing steganographic algorithms, recent steganalysis methods usually train a Convolutional Neural Network (CNN) model on the dataset consisting of corresponding paired cover/stego-images. However, it is inefficient and…

Computer Vision and Pattern Recognition · Computer Science 2022-09-07 Zihao Yin , Ruohan Meng , Zhili Zhou

Although supervised deep-learning has achieved promising performance in medical image segmentation, many methods cannot generalize well on unseen data, limiting their real-world applicability. To address this problem, we propose a deep…

Image and Video Processing · Electrical Eng. & Systems 2022-06-10 Shangqi Gao , Hangqi Zhou , Yibo Gao , Xiahai Zhuang

Medical image analysis using supervised deep learning methods remains problematic because of the reliance of deep learning methods on large amounts of labelled training data. Although medical imaging data repositories continue to expand…

Computer Vision and Pattern Recognition · Computer Science 2019-06-11 Euijoon Ahn , Ashnil Kumar , Dagan Feng , Michael Fulham , Jinman Kim

Ultrasound imaging is pivotal in various medical diagnoses due to its non-invasive nature and safety. In clinical practice, the accuracy and precision of ultrasound image analysis are critical. Recent advancements in deep learning are…

Image and Video Processing · Electrical Eng. & Systems 2024-08-26 Yuhan Song , Nak Young Chong

Drug combination therapy is a well-established strategy for disease treatment with better effectiveness and less safety degradation. However, identifying novel drug combinations through wet-lab experiments is resource intensive due to the…

Machine Learning · Computer Science 2023-01-18 Zhihang Hu , Qinze Yu , Yucheng Guo , Taifeng Wang , Irwin King , Xin Gao , Le Song , Yu Li

By circumventing the resolution limitations of optics, coherent diffractive imaging (CDI) and ptychography are making their way into scientific fields ranging from X-ray imaging to astronomy. Yet, the need for time consuming iterative phase…

Computational Physics · Physics 2023-10-13 Oliver Hoidn , Aashwin Ananda Mishra , Apurva Mehta

Recent deep monocular depth estimation approaches based on supervised regression have achieved remarkable performance. However, they require costly ground truth annotations during training. To cope with this issue, in this paper we present…

Computer Vision and Pattern Recognition · Computer Science 2019-09-18 Andrea Pilzer , Stéphane Lathuilière , Dan Xu , Mihai Marian Puscas , Elisa Ricci , Nicu Sebe

Accurately delineating the visual pathway (VP) is crucial for understanding the human visual system and diagnosing related disorders. Exploring multi-parametric MR imaging data has been identified as an important way to delineate VP.…

Computer Vision and Pattern Recognition · Computer Science 2025-05-27 Alou Diakite , Cheng Li , Lei Xie , Yuanjing Feng , Ruoyou Wu , Jianzhong He , Hairong Zheng , Shanshan Wang

Missing input sequences are common in medical imaging data, posing a challenge for deep learning models reliant on complete input data. In this work, inspired by MultiMAE [2], we develop a masked autoencoder (MAE) paradigm for multi-modal,…

Computer Vision and Pattern Recognition · Computer Science 2026-02-04 Ayhan Can Erdur , Christian Beischl , Daniel Scholz , Jiazhen Pan , Benedikt Wiestler , Daniel Rueckert , Jan C Peeken