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We introduce MolMiner, a fragment-based, geometry-aware, and order-agnostic autoregressive model for molecular design. MolMiner supports conditional generation of molecules over twelve properties, enabling flexible control across…

Machine Learning · Computer Science 2025-05-27 Raul Ortega-Ochoa , Tejs Vegge , Jes Frellsen

Accurate interpretation of electrocardiogram (ECG) signals is crucial for diagnosing cardiovascular diseases. Recent multimodal approaches that integrate ECGs with accompanying clinical reports show strong potential, but they still face two…

Artificial Intelligence · Computer Science 2026-02-25 Ziwei Niu , Hao Sun , Shujun Bian , Xihong Yang , Lanfen Lin , Yuxin Liu , Yueming Jin

This paper proposes a data-driven model for solving the inverse problem of electrocardiography, the mathematical problem that forms the basis of electrocardiographic imaging (ECGI). We present a conditional diffusion framework that learns a…

Machine Learning · Computer Science 2026-01-27 Ramiro Valdes Jara , Adam Meyers

Computational phantoms are widely used in medical imaging research, yet current systems to generate controlled, clinically meaningful anatomical variations remain limited. We present AbdomenGen, a sequential volume-conditioned diffusion…

Computer Vision and Pattern Recognition · Computer Science 2026-04-15 Yubraj Bhandari , Lavsen Dahal , Paul Segars , Joseph Y. Lo

High-dimensional compositional data, such as those from human microbiome studies, pose unique statistical challenges due to the simplex constraint and excess zeros. While dimension reduction is indispensable for analyzing such data,…

Methodology · Statistics 2025-09-09 Junyoung Park , Cheolwoo Park , Jeongyoun Ahn

Generative models hold the promise of significantly expediting the materials design process when compared to traditional human-guided or rule-based methodologies. However, effectively generating high-quality periodic structures of materials…

Materials Science · Physics 2024-08-15 Anshuman Sinha , Shuyi Jia , Victor Fung

Body composition analysis provides valuable insights into aging, disease progression, and overall health conditions. Due to concerns of radiation exposure, two-dimensional (2D) single-slice computed tomography (CT) imaging has been used…

Computer Vision and Pattern Recognition · Computer Science 2025-01-23 Lianrui Zuo , Xin Yu , Dingjie Su , Kaiwen Xu , Aravind R. Krishnan , Yihao Liu , Shunxing Bao , Fabien Maldonado , Luigi Ferrucci , Bennett A. Landman

Humans and animals developed a sophisticated motor control apparatus and there is much evidence that it has a modular structure. The modularity offers a range of benefits, e.g. ability to learn dissociable motion styles without interference…

Robotics · Computer Science 2016-05-20 Kirill Makukhin

The task of crafting procedural programs capable of generating structurally valid 3D shapes easily and intuitively remains an elusive goal in computer vision and graphics. Within the graphics community, generating procedural 3D models has…

Graphics · Computer Science 2025-03-21 Ofek Pearl , Itai Lang , Yuhua Hu , Raymond A. Yeh , Rana Hanocka

Harnessing the power of pre-training on large-scale datasets like ImageNet forms a fundamental building block for the progress of representation learning-driven solutions in computer vision. Medical images are inherently different from…

Computer Vision and Pattern Recognition · Computer Science 2023-08-01 Jeya Maria Jose Valanarasu , Yucheng Tang , Dong Yang , Ziyue Xu , Can Zhao , Wenqi Li , Vishal M. Patel , Bennett Landman , Daguang Xu , Yufan He , Vishwesh Nath

The pursuit of controllability as a higher standard of visual content creation has yielded remarkable progress in customizable image synthesis. However, achieving controllable video synthesis remains challenging due to the large variation…

Computer Vision and Pattern Recognition · Computer Science 2023-06-07 Xiang Wang , Hangjie Yuan , Shiwei Zhang , Dayou Chen , Jiuniu Wang , Yingya Zhang , Yujun Shen , Deli Zhao , Jingren Zhou

Timelapse images of human induced pluripotent stem cell-derived cardiomyocytes (hiPSC-CMs) provide rich information on cell structure and contractile function. However, it is challenging to reproducibly generate tissue samples and conduct…

Quantitative Methods · Quantitative Biology 2025-11-18 Saeed Mohammadzadeh , Yao-Chang Tsan , Aaron Renberg , Hiba Kobeissi , Adam Helms , Emma Lejeune

Diabetes encompasses a complex landscape of glycemic control that varies widely among individuals. However, current methods do not faithfully capture this variability at the meal level. On the one hand, expert-crafted features lack the…

Machine Learning · Computer Science 2023-12-07 Ke Alexander Wang , Emily B. Fox

Diffusion models have recently gained immense interest for their generative capabilities, specifically the high quality and diversity of the synthesized data. However, examples of their applications in 3D medical imaging are still scarce,…

Image and Video Processing · Electrical Eng. & Systems 2025-08-21 Jolanta Mozyrska , Marcel Beetz , Luke Melas-Kyriazi , Vicente Grau , Abhirup Banerjee , Alfonso Bueno-Orovio

Congenital heart disease (CHD) encompasses a spectrum of cardiovascular structural abnormalities, often requiring customized treatment plans for individual patients. Computational modeling and analysis of these unique cardiac anatomies can…

Tissues and Organs · Quantitative Biology 2023-11-09 Fanwei Kong , Sascha Stocker , Perry S. Choi , Michael Ma , Daniel B. Ennis , Alison Marsden

Biological systems can form complex three-dimensional structures through the collective behavior of agents that share a common update rule and operate without central control. How such distributed control gives rise to precise global…

Machine Learning · Computer Science 2026-05-11 Seong Ho Pahng , Guoye Guan , Benjamin Fefferman , Sahand Hormoz

Cardiac Magnetic Resonance (CMR) imaging is a critical tool for diagnosing and managing cardiovascular disease, yet its utility is often limited by the sparse acquisition of 2D short-axis slices, resulting in incomplete volumetric…

Image and Video Processing · Electrical Eng. & Systems 2025-08-22 Niklas Bubeck , Suprosanna Shit , Chen Chen , Can Zhao , Pengfei Guo , Dong Yang , Georg Zitzlsberger , Daguang Xu , Bernhard Kainz , Daniel Rueckert , Jiazhen Pan

Modeling cardiovascular anatomies poses a significant challenge due to their complex, irregular structures and inherent pathological conditions. Numerical simulations, while accurate, are often computationally expensive, limiting their…

Machine Learning · Computer Science 2025-03-25 Navaneeth N , Souvik Chakraborty

Cross-modal medical image segmentation presents a significant challenge, as different imaging modalities produce images with varying resolutions, contrasts, and appearances of anatomical structures. We introduce compositionality as an…

Computer Vision and Pattern Recognition · Computer Science 2024-08-22 Aniek Eijpe , Valentina Corbetta , Kalina Chupetlovska , Regina Beets-Tan , Wilson Silva

Diffusion models achieve state-of-the-art performance in generating realistic objects and have been successfully applied to images, text, and videos. Recent work has shown that diffusion can also be defined on graphs, including graph…

Machine Learning · Computer Science 2023-02-09 Alex M. Tseng , Nathaniel Diamant , Tommaso Biancalani , Gabriele Scalia