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In recent years, diffusion models trained on equilibrium molecular distributions have proven effective for sampling biomolecules. Beyond direct sampling, the score of such a model can also be used to derive the forces that act on molecular…

Machine Learning · Computer Science 2026-01-15 Michael Plainer , Hao Wu , Leon Klein , Stephan Günnemann , Frank Noé

This paper presents a deep learning method for faster magnetic resonance imaging (MRI) by reducing k-space data with sub-Nyquist sampling strategies and provides a rationale for why the proposed approach works well. Uniform subsampling is…

Machine Learning · Statistics 2019-05-14 Chang Min Hyun , Hwa Pyung Kim , Sung Min Lee , Sungchul Lee , Jin Keun Seo

Deep learning has shown the capability to substantially accelerate MRI reconstruction while acquiring fewer measurements. Recently, diffusion models have gained burgeoning interests as a novel group of deep learning-based generative…

Image and Video Processing · Electrical Eng. & Systems 2023-06-27 Jiahao Huang , Angelica Aviles-Rivero , Carola-Bibiane Schönlieb , Guang Yang

In this paper we present a neural network based estimator system which performs well the frequency extraction from unevenly sampled signals. It uses an unsupervised Hebbian nonlinear neural algorithm to extract the principal components…

Astrophysics · Physics 2007-05-23 R. Tagliaferri , A. Ciaramella , F. Barone , L. Milano

Despite the remarkable progress in generative modelling, current diffusion models lack a quantitative approach to assess image quality. To address this limitation, we propose to estimate the pixel-wise aleatoric uncertainty during the…

Computer Vision and Pattern Recognition · Computer Science 2024-12-03 Michele De Vita , Vasileios Belagiannis

Being able to adequately process and combine data arising from different sites is crucial in neuroimaging, but is difficult, owing to site, sequence and acquisition-parameter dependent biases. It is important therefore to design algorithms…

Image and Video Processing · Electrical Eng. & Systems 2021-11-05 Pedro Borges , Richard Shaw , Thomas Varsavsky , Kerstin Klaser , David Thomas , Ivana Drobnjak , Sebastien Ourselin , M Jorge Cardoso

We introduce a novel NMR approach that extends the capabilities of indirect dynamic nuclear polarization (DNP) under magic-angle spinning to probe the local environment of half-integer spin quadrupolar nuclei. Compared to…

Blind image restoration remains a significant challenge in low-level vision tasks. Recently, denoising diffusion models have shown remarkable performance in image synthesis. Guided diffusion models, leveraging the potent generative priors…

Computer Vision and Pattern Recognition · Computer Science 2024-11-20 Jun Xiao , Zihang Lyu , Hao Xie , Cong Zhang , Yakun Ju , Changjian Shui , Kin-Man Lam

Medical ultrasound imaging relies heavily on high-quality signal processing to provide reliable and interpretable image reconstructions. Conventionally, reconstruction algorithms where derived from physical principles. These algorithms rely…

Signal Processing · Electrical Eng. & Systems 2023-09-21 Ben Luijten , Nishith Chennakeshava , Yonina C. Eldar , Massimo Mischi , Ruud J. G. van Sloun

Ultralow-field nuclear magnetic resonance (NMR) provides a new regime for many applications ranging from materials science to fundamental physics. However, the experimentally observed spectra show asymmetric amplitudes, differing greatly…

Quantum Physics · Physics 2019-02-22 Min Jiang , Wenjie Xu , Yunlan Ji , Ji Bian , Shiming Song , Xinhua Peng

Based on the Denoising Diffusion Probabilistic Model (DDPM), medical image segmentation can be described as a conditional image generation task, which allows to compute pixel-wise uncertainty maps of the segmentation and allows an implicit…

Image and Video Processing · Electrical Eng. & Systems 2022-11-01 Xutao Guo , Yanwu Yang , Chenfei Ye , Shang Lu , Yang Xiang , Ting Ma

Diffusion models have achieved remarkable success in image and video generation. In this work, we demonstrate that diffusion models can also \textit{generate high-performing neural network parameters}. Our approach is simple, utilizing an…

Machine Learning · Computer Science 2025-01-03 Kai Wang , Dongwen Tang , Boya Zeng , Yida Yin , Zhaopan Xu , Yukun Zhou , Zelin Zang , Trevor Darrell , Zhuang Liu , Yang You

With the rapid development of diffusion models and flow-based generative models, there has been a surge of interests in solving noisy linear inverse problems, e.g., super-resolution, deblurring, denoising, colorization, etc, with generative…

Machine Learning · Computer Science 2024-10-22 Xiangming Meng , Yoshiyuki Kabashima

Accurately predicting infrared (IR) spectra in computational chemistry using ab initio methods remains a challenge. Current approaches often rely on an empirical approach or on tedious anharmonic calculations, mainly adapted to semi-rigid…

Chemical Physics · Physics 2024-09-05 Saleh Abdul Al , Abdul-Rahman Allouche

Implicit Neural Representations (INRs) are a learning-based approach to accelerate Magnetic Resonance Imaging (MRI) acquisitions, particularly in scan-specific settings when only data from the under-sampled scan itself are available.…

Image and Video Processing · Electrical Eng. & Systems 2024-12-11 Yamin Arefeen , Brett Levac , Zach Stoebner , Jonathan Tamir

Diffusion is a prominent source of noise affecting nuclear magnetic resonance at the nanometer scale (nano-NMR), preventing high resolution studies of unpolarized liquid samples. Actively managing diffusion noise through, for example,…

Quantum Physics · Physics 2025-02-20 Santiago Oviedo Casado , Daniel Cohen , Javier Cerrillo

Nuclear Magnetic Resonance (NMR) spectroscopy is essential for revealing molecular structure, electronic environment, and dynamics. Accurate NMR shift prediction allows researchers to validate structures by comparing predicted and observed…

Machine Learning · Computer Science 2024-12-17 Yunrui Li , Hao Xu , Ambrish Kumar , Duosheng Wang , Christian Heiss , Parastoo Azadi , Pengyu Hong

Diffusion-based generative models (DBGMs) perturb data to a target noise distribution and reverse this process to generate samples. The choice of noising process, or inference diffusion process, affects both likelihoods and sample quality.…

Machine Learning · Computer Science 2023-03-06 Raghav Singhal , Mark Goldstein , Rajesh Ranganath

Ultrasound imaging is widely used for real-time, noninvasive diagnosis, but speckle and related artifacts reduce image quality and can hinder interpretation. We present a diffusion-based ultrasound despeckling method built on the Image…

Computer Vision and Pattern Recognition · Computer Science 2026-02-27 Shuoqi Chen , Yujia Wu , Geoffrey P. Luke

Nuclear magnetic resonance (NMR) spectroscopy provides detailed information pertaining to dynamic processes through line-shape changes, which have been traditionally limited to equilibrium conditions. However, there is a wealth of…