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Generative models have the potential to accelerate key steps in the discovery of novel molecular therapeutics and materials. Diffusion models have recently emerged as a powerful approach, excelling at unconditional sample generation and,…

Biomolecules · Quantitative Biology 2024-07-17 Leo Klarner , Tim G. J. Rudner , Garrett M. Morris , Charlotte M. Deane , Yee Whye Teh

Score-based models have achieved remarkable results in the generative modeling of many domains. By learning the gradient of smoothed data distribution, they can iteratively generate samples from complex distribution e.g. natural images.…

Artificial Intelligence · Computer Science 2024-03-27 Binxu Wang , John J. Vastola

Masked (or absorbing) diffusion is actively explored as an alternative to autoregressive models for generative modeling of discrete data. However, existing work in this area has been hindered by unnecessarily complex model formulations and…

Machine Learning · Computer Science 2025-01-17 Jiaxin Shi , Kehang Han , Zhe Wang , Arnaud Doucet , Michalis K. Titsias

Trajectory data generation is an important domain that characterizes the generative process of mobility data. Traditional methods heavily rely on predefined heuristics and distributions and are weak in learning unknown mechanisms. Inspired…

Computer Vision and Pattern Recognition · Computer Science 2020-09-22 Liming Zhang , Liang Zhao , Dieter Pfoser

We propose a class of structured diffusion models, in which the prior distribution is chosen as a mixture of Gaussians, rather than a standard Gaussian distribution. The specific mixed Gaussian distribution, as prior, can be chosen to…

Machine Learning · Computer Science 2024-10-28 Nanshan Jia , Tingyu Zhu , Haoyu Liu , Zeyu Zheng

As a class of generative artificial intelligence frameworks inspired by statistical physics, diffusion models have shown extraordinary performance in synthesizing complicated data distributions through a denoising process gradually guided…

Machine Learning · Computer Science 2026-04-23 Fangjun Hu , Guangkuo Liu , Yifan F. Zhang , Xun Gao

Diffusion models have emerged as a powerful framework for generative modeling, with guidance techniques playing a crucial role in enhancing sample quality. Despite their empirical success, a comprehensive theoretical understanding of the…

Machine Learning · Statistics 2025-05-05 Gen Li , Yuchen Jiao

The performance of machine learning models relies heavily on the quality of input data, yet real-world applications often face significant data-related challenges. A common issue arises when curating training data or deploying models: two…

Machine Learning · Computer Science 2025-09-24 Varun Babbar , Zhicheng Guo , Cynthia Rudin

Accurate prediction with multimodal data-encompassing tabular, textual, and visual inputs or outputs-is fundamental to advancing analytics in diverse application domains. Traditional approaches often struggle to integrate heterogeneous data…

Machine Learning · Statistics 2025-03-11 Xinyu Tian , Xiaotong Shen

Deep generative models produce data according to a learned representation, e.g. diffusion models, through a process of approximation computing possible samples. Approximation can be understood as reconstruction and the large datasets used…

Human-Computer Interaction · Computer Science 2023-09-25 Luís Arandas , Mick Grierson , Miguel Carvalhais

Diffusion models have recently emerged as powerful generative models in medical imaging. However, it remains a major challenge to combine these data-driven models with domain knowledge to guide brain imaging problems. In neuroimaging,…

Computer Vision and Pattern Recognition · Computer Science 2025-12-19 Ana Lawry Aguila , Dina Zemlyanker , You Cheng , Sudeshna Das , Daniel C. Alexander , Oula Puonti , Annabel Sorby-Adams , W. Taylor Kimberly , Juan Eugenio Iglesias

Generative AI has achieved remarkable empirical success, but from the perspective of statistics it often remains opaque: its predictions may be accurate, yet the underlying mechanism is difficult to interpret, analyze, and trust. This book…

Machine Learning · Statistics 2026-03-11 Shinto Eguchi

Diffusion models have demonstrated significant potential in achieving state-of-the-art performance across various text generation tasks. In this systematic study, we investigate their application to the table-to-text problem by adapting the…

Computation and Language · Computer Science 2024-09-24 Aleksei S. Krylov , Oleg D. Somov

Diffusion models have shown remarkable capabilities in generating high-fidelity data across modalities such as images, audio, and video. However, their computational intensity makes deployment on edge devices a significant challenge. This…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-04-23 Dongqi Zheng

Diffusion and flow-based models have become the state of the art for generative AI across a wide range of data modalities, including images, videos, shapes, molecules, music, and more. This tutorial provides a self-contained introduction to…

Machine Learning · Computer Science 2026-03-19 Peter Holderrieth , Ezra Erives

Joint machine learning models that allow synthesizing and classifying data often offer uneven performance between those tasks or are unstable to train. In this work, we depart from a set of empirical observations that indicate the…

Machine Learning · Computer Science 2023-04-06 Kamil Deja , Tomasz Trzcinski , Jakub M. Tomczak

The diffusion model has shown remarkable performance in modeling data distributions and synthesizing data. However, the vanilla diffusion model requires complete or fully observed data for training. Incomplete data is a common issue in…

Machine Learning · Computer Science 2023-07-04 Yidong Ouyang , Liyan Xie , Chongxuan Li , Guang Cheng

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

Conditional diffusion models serve as the foundation of modern image synthesis and find extensive application in fields like computational biology and reinforcement learning. In these applications, conditional diffusion models incorporate…

Machine Learning · Computer Science 2024-03-19 Hengyu Fu , Zhuoran Yang , Mengdi Wang , Minshuo Chen

This handbook offers a unified perspective on diffusion models, encompassing diffusion probabilistic models, score-based generative models, consistency models, rectified flow, and related methods. By standardizing notations and aligning…

Machine Learning · Computer Science 2024-12-24 Zihan Ding , Chi Jin
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