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Molecule generation, especially generating 3D molecular geometries from scratch (i.e., 3D \textit{de novo} generation), has become a fundamental task in drug designs. Existing diffusion-based 3D molecule generation methods could suffer from…

Machine Learning · Computer Science 2022-09-14 Lei Huang , Hengtong Zhang , Tingyang Xu , Ka-Chun Wong

Generating molecules that bind to specific proteins is an important but challenging task in drug discovery. Previous works usually generate atoms in an auto-regressive way, where element types and 3D coordinates of atoms are generated one…

Biomolecules · Quantitative Biology 2024-07-16 Haitao Lin , Yufei Huang , Odin Zhang , Siqi Ma , Meng Liu , Xuanjing Li , Lirong Wu , Jishui Wang , Tingjun Hou , Stan Z. Li

While recommender systems have become an integral component of the Web experience, their heavy reliance on user data raises privacy and security concerns. Substituting user data with synthetic data can address these concerns, but accurately…

Information Retrieval · Computer Science 2024-06-21 Derek Lilienthal , Paul Mello , Magdalini Eirinaki , Stas Tiomkin

Interpreting EEG signals linked to spoken language presents a complex challenge, given the data's intricate temporal and spatial attributes, as well as the various noise factors. Denoising diffusion probabilistic models (DDPMs), which have…

Computation and Language · Computer Science 2023-11-15 Soowon Kim , Seo-Hyun Lee , Young-Eun Lee , Ji-Won Lee , Ji-Ha Park , Seong-Whan Lee

Synthetic electronic health records (EHRs) that are both realistic and preserve privacy can serve as an alternative to real EHRs for machine learning (ML) modeling and statistical analysis. However, generating high-fidelity and granular…

Machine Learning · Computer Science 2023-11-13 Brandon Theodorou , Cao Xiao , Jimeng Sun

One of the main challenges in current research on segmentation in cardiac ultrasound is the lack of large and varied labeled datasets and the differences in annotation conventions between datasets. This makes it difficult to design robust…

Image and Video Processing · Electrical Eng. & Systems 2025-02-28 Gilles Van De Vyver , Aksel Try Lenz , Erik Smistad , Sindre Hellum Olaisen , Bjørnar Grenne , Espen Holte , Håavard Dalen , Lasse Løvstakken

Diffusion models are increasingly being utilised to create synthetic tabular and time series data for privacy-preserving augmentation. Tabular Denoising Diffusion Probabilistic Models (TabDDPM) generate high-quality synthetic data from…

Machine Learning · Computer Science 2026-04-08 Umang Dobhal , Christina Garcia , Sozo Inoue

Electronic health records (EHRs) contain important longitudinal information on individuals who have received medical care. Traditionally, EHRs have been used to support a wide range of administrative activities such as billing and clinical…

Databases · Computer Science 2024-11-18 Arian Aminoleslami , Geoffrey M. Anderson , Davide Chicco

The Diffusion Probabilistic Model (DPM) has recently gained popularity in the field of computer vision, thanks to its image generation applications, such as Imagen, Latent Diffusion Models, and Stable Diffusion, which have demonstrated…

Image and Video Processing · Electrical Eng. & Systems 2023-12-27 Junde Wu , Wei Ji , Huazhu Fu , Min Xu , Yueming Jin , Yanwu Xu

Researchers require timely access to real-world longitudinal electronic health records (EHR) to develop, test, validate, and implement machine learning solutions that improve the quality and efficiency of healthcare. In contrast, health…

Machine Learning · Computer Science 2020-12-21 Siddharth Biswal , Soumya Ghosh , Jon Duke , Bradley Malin , Walter Stewart , Jimeng Sun

Electronic Health Records (EHR) are crucial for the success of digital healthcare, with a focus on putting consumers at the center of this transformation. However, the digitalization of healthcare records brings along security and privacy…

Machine Learning · Computer Science 2024-10-07 Vinaytosh Mishra , Kishu Gupta , Deepika Saxena , Ashutosh Kumar Singh

Recent advancements in deep learning for medical image segmentation are often limited by the scarcity of high-quality training data.While diffusion models provide a potential solution by generating synthetic images, their effectiveness in…

Computer Vision and Pattern Recognition · Computer Science 2025-07-02 Jianhao Xie , Ziang Zhang , Zhenyu Weng , Yuesheng Zhu , Guibo Luo

Generative AI has redefined artificial intelligence, enabling the creation of innovative content and customized solutions that drive business practices into a new era of efficiency and creativity. In this paper, we focus on diffusion…

Machine Learning · Computer Science 2024-03-21 Zihao Li , Hui Yuan , Kaixuan Huang , Chengzhuo Ni , Yinyu Ye , Minshuo Chen , Mengdi Wang

The rapid growth of Electronic Health Records (EHRs), as well as the accompanied opportunities in Data-Driven Healthcare (DDH), has been attracting widespread interests and attentions. Recent progress in the design and applications of deep…

Machine Learning · Computer Science 2017-09-07 Zhengping Che , Yu Cheng , Shuangfei Zhai , Zhaonan Sun , Yan Liu

Electronic health records (EHRs) are increasingly recognized as a cost-effective resource for patient recruitment in clinical research. However, how to optimally select a cohort from millions of individuals to answer a scientific question…

Methodology · Statistics 2023-12-14 Guanghao Zhang , Lauren J. Beesley , Bhramar Mukherjee , Xu Shi

Electronic Health Records (EHRs) provide rich longitudinal clinical evidence that is central to medical decision-making, motivating the use of retrieval-augmented generation (RAG) to ground large language model (LLM) predictions. However,…

Artificial Intelligence · Computer Science 2026-01-30 Lang Cao , Qingyu Chen , Yue Guo

The widespread adoption of Electronic Health Record (EHR) systems in healthcare institutes has generated vast amounts of medical data, offering significant opportunities for improving healthcare services through deep learning techniques.…

Machine Learning · Computer Science 2024-01-23 Suhan Cui , Jiaqi Wang , Yuan Zhong , Han Liu , Ting Wang , Fenglong Ma

Despite significant progress in generative modelling, existing diffusion models often struggle to produce anatomically precise female pelvic images, limiting their application in gynaecological imaging, where data scarcity and patient…

Image and Video Processing · Electrical Eng. & Systems 2025-08-26 Johanna P. Müller , Anika Knupfer , Pedro Blöss , Edoardo Berardi Vittur , Bernhard Kainz , Jana Hutter

Diffusion-based generative methods have proven effective in modeling trajectories with offline datasets. However, they often face computational challenges and can falter in generalization, especially in capturing temporal abstractions for…

Machine Learning · Computer Science 2024-01-08 Chang Chen , Fei Deng , Kenji Kawaguchi , Caglar Gulcehre , Sungjin Ahn

While the availability of open 3D medical shape datasets is increasing, offering substantial benefits to the research community, we have found that many of these datasets are, unfortunately, disorganized and contain artifacts. These issues…

Computer Vision and Pattern Recognition · Computer Science 2025-04-29 Khoa Tuan Nguyen , Francesca Tozzi , Wouter Willaert , Joris Vankerschaver , Nikdokht Rashidian , Wesley De Neve