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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…

计算工程、金融与科学 · 计算机科学 2023-01-10 Fang Wu , Stan Z. Li

Diffusion-based image generators can now produce high-quality and diverse samples, but their success has yet to fully translate to 3D generation: existing diffusion methods can either generate low-resolution but 3D consistent outputs, or…

计算机视觉与模式识别 · 计算机科学 2023-08-29 Animesh Karnewar , Niloy J. Mitra , Andrea Vedaldi , David Novotny

We present SURE-Score: an approach for learning score-based generative models using training samples corrupted by additive Gaussian noise. When a large training set of clean samples is available, solving inverse problems via score-based…

机器学习 · 计算机科学 2025-04-23 Asad Aali , Marius Arvinte , Sidharth Kumar , Jonathan I. Tamir

Score-based generative models (SGMs) is a recent class of deep generative models with state-of-the-art performance in many applications. In this paper, we establish convergence guarantees for a general class of SGMs in 2-Wasserstein…

机器学习 · 计算机科学 2025-02-18 Xuefeng Gao , Hoang M. Nguyen , Lingjiong Zhu

We introduce SceneDiffuser, a conditional generative model for 3D scene understanding. SceneDiffuser provides a unified model for solving scene-conditioned generation, optimization, and planning. In contrast to prior works, SceneDiffuser is…

计算机视觉与模式识别 · 计算机科学 2023-01-18 Siyuan Huang , Zan Wang , Puhao Li , Baoxiong Jia , Tengyu Liu , Yixin Zhu , Wei Liang , Song-Chun Zhu

We provide an overview of the diffusion model as a method to generate new samples. Generative models have been recently adopted for tasks such as art generation (Stable Diffusion, Dall-E) and text generation (ChatGPT). Diffusion models in…

机器学习 · 统计学 2025-06-13 Justin Le

Generative models based on diffusion have become the state of the art in the last few years, notably for image generation. Here, we analyse them in the high-dimensional limit, where data are formed by a very large number of variables. We…

无序系统与神经网络 · 物理学 2023-10-31 Giulio Biroli , Marc Mézard

Score-based diffusion generative models have recently emerged as a powerful tool for modelling complex data distributions. These models aim at learning the score function, which defines a map from a known probability distribution to the…

机器学习 · 统计学 2025-11-12 Ehsan Mirafzali , Frank Proske , Utkarsh Gupta , Daniele Venturi , Razvan Marinescu

Generation of simulated detector response to collision products is crucial to data analysis in particle physics, but computationally very expensive. One subdetector, the calorimeter, dominates the computational time due to the high…

仪器与探测器 · 物理学 2023-11-16 Junze Liu , Aishik Ghosh , Dylan Smith , Pierre Baldi , Daniel Whiteson

The rapid advancements in large language models and generative artificial intelligence (AI) capabilities are making their broad application in the high-stakes testing context more likely. Use of generative AI in the scoring of constructed…

计算与语言 · 计算机科学 2026-03-23 Jodi M. Casabianca , Daniel F. McCaffrey , Matthew S. Johnson , Naim Alper , Vladimir Zubenko

Diffusion models have emerged as powerful deep generative techniques, producing high-quality and diverse samples in applications in various domains including audio. While existing reviews provide overviews, there remains limited in-depth…

声音 · 计算机科学 2026-01-16 Ge Zhu , Yutong Wen , Zhiyao Duan

Scene generation has extensive industrial applications, demanding both high realism and precise control over geometry and appearance. Language-driven retrieval methods compose plausible scenes from a large object database, but overlook…

计算机视觉与模式识别 · 计算机科学 2026-03-23 Zhifei Yang , Guangyao Zhai , Keyang Lu , YuYang Yin , Chao Zhang , Zhen Xiao , Jieyi Long , Nassir Navab , Yikai Wang

Currently, over half of the computing power at CERN GRID is used to run High Energy Physics simulations. The recent updates at the Large Hadron Collider (LHC) create the need for developing more efficient simulation methods. In particular,…

计算机视觉与模式识别 · 计算机科学 2023-06-26 Jan Dubiński , Kamil Deja , Sandro Wenzel , Przemysław Rokita , Tomasz Trzciński

Speech super-resolution (SR) is the task that restores high-resolution speech from low-resolution input. Existing models employ simulated data and constrained experimental settings, which limit generalization to real-world SR. Predictive…

音频与语音处理 · 电气工程与系统科学 2024-01-26 Heming Wang , Eric W. Healy , DeLiang Wang

Score-based models have recently been introduced as a richer framework to model distributions in high dimensions and are generally more suitable for generative tasks. In score-based models, a generative task is formulated using a parametric…

机器学习 · 计算机科学 2023-02-07 Harsh Mishra , Jurijs Nazarovs , Manmohan Dogra , Sathya N. Ravi

We present a novel approach to reconstruct gas and dark matter projected density maps of galaxy clusters using score-based generative modeling. Our diffusion model takes in mock SZ and X-ray images as conditional inputs, and generates…

宇宙学与河外天体物理 · 物理学 2025-07-16 Alan Hsu , Matthew Ho , Joyce Lin , Carleen Markey , Michelle Ntampaka , Hy Trac , Barnabás Póczos

We present a generative modeling framework for atomistic systems that combines score-based diffusion for atomic positions with a novel continuous-time discrete diffusion process for atomic types. This approach enables flexible and…

计算物理 · 物理学 2025-09-17 Nikolaj Rønne , Bjørk Hammer

Generative diffusion models synthesize new samples by reversing a diffusive process that converts a given data set to generic noise. This is accomplished by training a neural network to match the gradient of the log of the probability…

机器学习 · 计算机科学 2023-10-11 Akhil Premkumar

High-precision modeling of subatomic particle interactions is critical for many fields within the physical sciences, such as nuclear physics and high energy particle physics. Most simulation pipelines in the sciences are computationally…

高能物理 - 实验 · 物理学 2018-11-14 Luke de Oliveira , Michela Paganini , Benjamin Nachman

Synthetic data generation is increasingly used in machine learning for training and data augmentation. Yet, current strategies often rely on external foundation models or datasets, whose usage is restricted in many scenarios due to policy…

计算机视觉与模式识别 · 计算机科学 2025-10-27 Parsa Rahimi , Sebastien Marcel