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Diffusion-based models have shown great promise in molecular generation but often require a large number of sampling steps to generate valid samples. In this paper, we introduce a novel Straight-Line Diffusion Model (SLDM) to tackle this…

Machine Learning · Computer Science 2025-06-10 Yuyan Ni , Shikun Feng , Haohan Chi , Bowen Zheng , Huan-ang Gao , Wei-Ying Ma , Zhi-Ming Ma , Yanyan Lan

Estimating single-cell responses across various perturbations facilitates the identification of key genes and enhances drug screening, significantly boosting experimental efficiency. However, single-cell sequencing is a destructive process,…

Machine Learning · Computer Science 2026-04-28 Changxi Chi , Jun Xia , Yufei Huang , Zhuoli Ouyang , Cheng Tan , Yunfan Liu , Jingbo Zhou , Chang Yu , Liangyu Yuan , Siyuan Li , Zelin Zang , Stan Z. Li

The imputation of missing values represents a significant obstacle for many real-world data analysis pipelines. Here, we focus on time series data and put forward SSSD, an imputation model that relies on two emerging technologies,…

Machine Learning · Computer Science 2023-05-09 Juan Miguel Lopez Alcaraz , Nils Strodthoff

Generative foundation models like Stable Diffusion comprise a diverse spectrum of knowledge in computer vision with the potential for transfer learning, e.g., via generating data to train student models for downstream tasks. This could…

Computer Vision and Pattern Recognition · Computer Science 2024-05-07 Leonhard Hennicke , Christian Medeiros Adriano , Holger Giese , Jan Mathias Koehler , Lukas Schott

Score-based Generative Models (SGMs) have demonstrated exceptional synthesis outcomes across various tasks. However, the current design landscape of the forward diffusion process remains largely untapped and often relies on physical…

Machine Learning · Computer Science 2023-10-13 Kushagra Pandey , Stephan Mandt

The adoption of text-to-image diffusion models raises concerns over reliability, drawing scrutiny under the lens of various metrics like calibration, fairness, or compute efficiency. We focus in this work on two issues that arise when…

Computer Vision and Pattern Recognition · Computer Science 2025-05-29 Michael Kirchhof , James Thornton , Louis Béthune , Pierre Ablin , Eugene Ndiaye , Marco Cuturi

Despite the widespread use of Scanning Transmission Electron Microscopy (STEM) for observing the structure of materials at the atomic scale, a detailed understanding of some relevant electron beam damage mechanisms is limited. Recent…

Diffusion models represent a powerful family of generative models widely used for image and video generation. However, the time-consuming deployment, long inference time, and requirements on large memory hinder their applications on…

Machine Learning · Computer Science 2025-04-18 Kafeng Wang , Jianfei Chen , He Li , Zhenpeng Mi , Jun Zhu

Conditional diffusion models have demonstrated impressive performance in image manipulation tasks. The general pipeline involves adding noise to the image and then denoising it. However, this method faces a trade-off problem: adding too…

Computer Vision and Pattern Recognition · Computer Science 2023-07-18 Luozhou Wang , Shuai Yang , Shu Liu , Ying-cong Chen

Diffusion models have been successful on a range of conditional generation tasks including molecular design and text-to-image generation. However, these achievements have primarily depended on task-specific conditional training or…

Machine Learning · Statistics 2024-11-26 Luhuan Wu , Brian L. Trippe , Christian A. Naesseth , David M. Blei , John P. Cunningham

The task of steel surface defect recognition is an industrial problem with great industry values. The data insufficiency is the major challenge in training a robust defect recognition network. Existing methods have investigated to enlarge…

Computer Vision and Pattern Recognition · Computer Science 2024-05-06 Yichun Tai , Kun Yang , Tao Peng , Zhenzhen Huang , Zhijiang Zhang

Diffusion models deliver high quality in image synthesis but remain expensive during training and inference. Recent works have leveraged the inherent redundancy in visual content to make training more affordable by training only on a subset…

Computer Vision and Pattern Recognition · Computer Science 2026-05-27 Felix Krause , Stefan Andreas Baumann , Johannes Schusterbauer , Olga Grebenkova , Ming Gui , Vincent Tao Hu , Björn Ommer

The reconstruction of unsteady flow fields from limited measurements is a challenging and crucial task for many engineering applications. Machine learning models are gaining popularity for solving this problem due to their ability to learn…

Fluid Dynamics · Physics 2026-01-09 Marc Amorós-Trepat , Luis Medrano-Navarro , Qiang Liu , Luca Guastoni , Nils Thuerey

Generation of simulated data is essential for data analysis in particle physics, but current Monte Carlo methods are very computationally expensive. Deep-learning-based generative models have successfully generated simulated data at lower…

Data Analysis, Statistics and Probability · Physics 2021-02-24 Yadong Lu , Julian Collado , Daniel Whiteson , Pierre Baldi

Variable selection for high-dimensional, highly correlated data has long been a challenging problem, often yielding unstable and unreliable models. We propose a resample-aggregate framework that exploits diffusion models' ability to…

Methodology · Statistics 2025-08-20 Minjie Wang , Xiaotong Shen , Wei Pan

We provide theoretical convergence guarantees for score-based generative models (SGMs) such as denoising diffusion probabilistic models (DDPMs), which constitute the backbone of large-scale real-world generative models such as DALL$\cdot$E…

Machine Learning · Computer Science 2023-04-18 Sitan Chen , Sinho Chewi , Jerry Li , Yuanzhi Li , Adil Salim , Anru R. Zhang

Deep generative modeling provides a powerful pathway to overcome data scarcity in energy-related applications where experimental data are often limited, costly, or difficult to obtain. By learning the underlying probability distribution of…

Machine Learning · Computer Science 2025-11-21 Farah Alsafadi , Alexandra Akins , Xu Wu

Computer simulations are indispensable for analyzing complex systems, yet high-fidelity models often incur prohibitive computational costs. Multi-fidelity frameworks address this challenge by combining inexpensive low-fidelity simulations…

Methodology · Statistics 2025-10-28 Junoh Heo , Romain Boutelet , Chih-Li Sung

In this work, we introduce a novel computational framework that we developed to use numerical simulations to investigate the complexity of brain tissue at a microscopic level with a detail never realised before. Directly inspired by the…

Medical Physics · Physics 2018-06-20 Marco Palombo , Daniel C. Alexander , Hui Zhang

Compressive sensing has been successfully used for optimized operations in wireless sensor networks. However, raw data collected by sensors may be neither originally sparse nor easily transformed into a sparse data representation. This…

Networking and Internet Architecture · Computer Science 2016-08-16 Mohammad Abu Alsheikh , Shaowei Lin , Hwee-Pink Tan , Dusit Niyato