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Recently, machine learning methods have gained significant traction in scientific computing, particularly for solving Partial Differential Equations (PDEs). However, methods based on deep neural networks (DNNs) often lack convergence…

Artificial Intelligence · Computer Science 2025-06-16 Li Liu , Heng Yong

We focus on the problem of efficient sampling and learning of probability densities by incorporating symmetries in probabilistic models. We first introduce Equivariant Stein Variational Gradient Descent algorithm -- an equivariant sampling…

Machine Learning · Computer Science 2021-07-30 Priyank Jaini , Lars Holdijk , Max Welling

The Euclidean scattering transform was introduced nearly a decade ago to improve the mathematical understanding of convolutional neural networks. Inspired by recent interest in geometric deep learning, which aims to generalize convolutional…

Machine Learning · Statistics 2023-07-26 Michael Perlmutter , Feng Gao , Guy Wolf , Matthew Hirn

Modern machine learning increasingly leverages the insight that high-dimensional data often lie near low-dimensional, non-linear manifolds, an idea known as the manifold hypothesis. By explicitly modeling the geometric structure of data…

Machine Learning · Computer Science 2026-03-02 Willem Diepeveen , Deanna Needell

We present DeepFDM, a differentiable finite-difference framework for learning spatially varying coefficients in time-dependent partial differential equations (PDEs). By embedding a classical forward-Euler discretization into a convolutional…

Numerical Analysis · Mathematics 2025-07-30 Patrick Chatain , Michael Rizvi-Martel , Guillaume Rabusseau , Adam Oberman

Recent advances in imaging and high-performance computing have made it possible to image the entire human brain at the cellular level. This is the basis to study the multi-scale architecture of the brain regarding its subdivision into brain…

Image and Video Processing · Electrical Eng. & Systems 2023-11-29 Jan-Oliver Kropp , Christian Schiffer , Katrin Amunts , Timo Dickscheid

Computational imaging is crucial in many disciplines from autonomous driving to life sciences. However, traditional model-driven and iterative methods consume large computational power and lack scalability for imaging. Deep learning (DL) is…

Image and Video Processing · Electrical Eng. & Systems 2024-08-26 Weiru Fan , Xiaobin Tang , Yiyi Liao , Da-Wei Wang

Denoising diffusion models have recently emerged as the predominant paradigm for generative modelling on image domains. In addition, their extension to Riemannian manifolds has facilitated a range of applications across the natural…

Machine Learning · Computer Science 2023-11-10 Nic Fishman , Leo Klarner , Emile Mathieu , Michael Hutchinson , Valentin de Bortoli

Denoising Diffusion Probabilistic Models (DDPMs) have achieved impressive performance on various generation tasks. By modeling the reverse process of gradually diffusing the data distribution into a Gaussian distribution, generating a…

Computer Vision and Pattern Recognition · Computer Science 2022-05-31 Zhaoyang Lyu , Xudong XU , Ceyuan Yang , Dahua Lin , Bo Dai

Despite the success of diffusion models (DMs), we still lack a thorough understanding of their latent space. While image editing with GANs builds upon latent space, DMs rely on editing the conditions such as text prompts. We present an…

Computer Vision and Pattern Recognition · Computer Science 2023-02-27 Yong-Hyun Park , Mingi Kwon , Junghyo Jo , Youngjung Uh

To generate data from trained diffusion models, most inference algorithms, such as DDPM, DDIM, and other variants, rely on discretizing the reverse SDEs or their equivalent ODEs. In this paper, we view such approaches as decomposing the…

Machine Learning · Statistics 2024-05-28 Xunpeng Huang , Difan Zou , Hanze Dong , Yi Zhang , Yi-An Ma , Tong Zhang

Incorporating group symmetries via equivariance into neural networks has emerged as a robust approach for overcoming the efficiency and data demands of modern deep learning. While most existing approaches, such as group convolutions and…

Recent works have shown that diffusion models can learn essentially any distribution provided one can perform score estimation. Yet it remains poorly understood under what settings score estimation is possible, let alone when practical…

Data Structures and Algorithms · Computer Science 2023-07-04 Kulin Shah , Sitan Chen , Adam Klivans

Diffusion probabilistic models (DPMs), widely recognized for their potential to generate high-quality samples, tend to go unnoticed in representation learning. While recent progress has highlighted their potential for capturing visual…

Machine Learning · Computer Science 2025-05-09 Dingshuo Chen , Shuchen Xue , Liuji Chen , Yingheng Wang , Qiang Liu , Shu Wu , Zhi-Ming Ma , Liang Wang

Molecular dynamics (MD) has long been the de facto choice for simulating complex atomistic systems from first principles. Recently deep learning models become a popular way to accelerate MD. Notwithstanding, existing models depend on…

Computational Engineering, Finance, and Science · Computer Science 2023-01-10 Fang Wu , Stan Z. Li

Light microscopy is a widespread and inexpensive imaging technique facilitating biomedical discovery and diagnostics. However, light diffraction barrier and imperfections in optics limit the level of detail of the acquired images. The…

Quantitative Methods · Quantitative Biology 2026-03-24 Rui Li , Gabriel della Maggiora , Vardan Andriasyan , Anthony Petkidis , Artsemi Yushkevich , Mikhail Kudryashev , Artur Yakimovich

Automatic layout generation that can synthesize high-quality layouts is an important tool for graphic design in many applications. Though existing methods based on generative models such as Generative Adversarial Networks (GANs) and…

Computer Vision and Pattern Recognition · Computer Science 2023-05-05 Shang Chai , Liansheng Zhuang , Fengying Yan

Score-based diffusion models, which generate new data by learning to reverse a diffusion process that perturbs data from the target distribution into noise, have achieved remarkable success across various generative tasks. Despite their…

Machine Learning · Computer Science 2025-01-23 Gen Li , Yuling Yan

Sodium MRI is an imaging technique used to visualize and quantify sodium concentrations in vivo, playing a role in many biological processes and potentially aiding in breast cancer characterization. Sodium MRI, however, suffers from…

This paper explores the characterization of equivariant linear layers for representations of permutations and related groups. Unlike traditional approaches, which address these problems using parameter-sharing, we consider an alternative…

Machine Learning · Computer Science 2025-03-07 Yonatan Sverdlov , Ido Springer , Nadav Dym