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Learning the underlying distribution of molecular graphs and generating high-fidelity samples is a fundamental research problem in drug discovery and material science. However, accurately modeling distribution and rapidly generating novel…

Machine Learning · Computer Science 2023-05-24 Han Huang , Leilei Sun , Bowen Du , Weifeng Lv

There has been a longstanding belief that generation can facilitate a true understanding of visual data. In line with this, we revisit generatively pre-training visual representations in light of recent interest in denoising diffusion…

Computer Vision and Pattern Recognition · Computer Science 2023-04-07 Chen Wei , Karttikeya Mangalam , Po-Yao Huang , Yanghao Li , Haoqi Fan , Hu Xu , Huiyu Wang , Cihang Xie , Alan Yuille , Christoph Feichtenhofer

In this paper, conditional denoising diffusion probabilistic models (DDPMs) are proposed to enhance the data transmission and reconstruction over wireless channels. The underlying mechanism of DDPM is to decompose the data generation…

Information Theory · Computer Science 2024-11-21 Mehdi Letafati , Samad Ali , Matti Latva-aho

We introduce a framework for joint grounded scene graph - image generation, a challenging task involving high-dimensional, multi-modal structured data. To effectively model this complex joint distribution, we adopt a factorized approach:…

Computer Vision and Pattern Recognition · Computer Science 2025-08-05 Bicheng Xu , Qi Yan , Renjie Liao , Lele Wang , Leonid Sigal

The traffic matrix estimation (TME) problem has been widely researched for decades of years. Recent progresses in deep generative models offer new opportunities to tackle TME problems in a more advanced way. In this paper, we leverage the…

Machine Learning · Computer Science 2024-10-22 Xinyu Yuan , Yan Qiao , Pei Zhao , Rongyao Hu , Benchu Zhang

Graph Neural Networks (GNNs)-based recommendation algorithms typically assume that training and testing data are drawn from independent and identically distributed (IID) spaces. However, this assumption often fails in the presence of…

Machine Learning · Computer Science 2025-04-03 Chu Zhao , Enneng Yang , Yuliang Liang , Pengxiang Lan , Yuting Liu , Jianzhe Zhao , Guibing Guo , Xingwei Wang

Graph generation generally aims to create new graphs that closely align with a specific graph distribution. Existing works often implicitly capture this distribution through the optimization of generators, potentially overlooking the…

Machine Learning · Computer Science 2024-07-19 Song Wang , Zhen Tan , Xinyu Zhao , Tianlong Chen , Huan Liu , Jundong Li

Diffusion models (DMs) have emerged as powerful generative models for solving inverse problems, offering a good approximation of prior distributions of real-world image data. Typically, diffusion models rely on large-scale clean signals to…

Computer Vision and Pattern Recognition · Computer Science 2024-07-17 Yifei Wang , Weimin Bai , Weijian Luo , Wenzheng Chen , He Sun

Creating graphic layouts is a fundamental step in graphic designs. In this work, we present a novel generative model named LayoutDiffusion for automatic layout generation. As layout is typically represented as a sequence of discrete tokens,…

Computer Vision and Pattern Recognition · Computer Science 2023-08-16 Junyi Zhang , Jiaqi Guo , Shizhao Sun , Jian-Guang Lou , Dongmei Zhang

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…

Machine Learning · Statistics 2025-06-13 Justin Le

In recent years, Deep Learning methods have achieved state of the art performance in a vast range of machine learning tasks, including image classification and multilingual automatic text translation. These architectures are trained to…

Machine Learning · Computer Science 2020-12-15 Carlos Lassance

Most Graph Neural Networks (GNNs) predict the labels of unseen graphs by learning the correlation between the input graphs and labels. However, by presenting a graph classification investigation on the training graphs with severe bias,…

Machine Learning · Computer Science 2022-09-29 Shaohua Fan , Xiao Wang , Yanhu Mo , Chuan Shi , Jian Tang

Diffusion models can be improved with additional guidance towards more effective representations of input. Indeed, prior empirical work has already shown that aligning internal representations of the diffusion model with those of…

Machine Learning · Computer Science 2025-10-14 Chenyu Wang , Cai Zhou , Sharut Gupta , Zongyu Lin , Stefanie Jegelka , Stephen Bates , Tommi Jaakkola

Diffusion Models (DMs), also referred to as score-based diffusion models, utilize neural networks to specify score functions. Unlike most other probabilistic models, DMs directly model the score functions, which makes them more flexible to…

Machine Learning · Computer Science 2023-04-11 Weijian Luo

Physical systems with complex unsteady dynamics, such as fluid flows, are often poorly represented by a single mean solution. For many practical applications, it is crucial to access the full distribution of possible states, from which…

Computational Physics · Physics 2025-04-07 Mario Lino , Tobias Pfaff , Nils Thuerey

There has been a surge of recent interest in learning representations for graph-structured data. Graph representation learning methods have generally fallen into three main categories, based on the availability of labeled data. The first,…

Machine Learning · Computer Science 2022-04-13 Ines Chami , Sami Abu-El-Haija , Bryan Perozzi , Christopher Ré , Kevin Murphy

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

Diffusion-based classifiers such as those relying on the Personalized PageRank and the Heat kernel, enjoy remarkable classification accuracy at modest computational requirements. Their performance however is affected by the extent to which…

Machine Learning · Statistics 2019-02-20 Dimitris Berberidis , Athanasios N. Nikolakopoulos , Georgios B. Giannakis

Representation learning is the foundation for the recent success of neural network models. However, the distributed representations generated by neural networks are far from ideal. Due to their highly entangled nature, they are di cult to…

Machine Learning · Computer Science 2016-02-09 William Whitney

We propose a simple, efficient, yet powerful framework for dense visual predictions based on the conditional diffusion pipeline. Our approach follows a "noise-to-map" generative paradigm for prediction by progressively removing noise from a…

Computer Vision and Pattern Recognition · Computer Science 2023-05-16 Yuanfeng Ji , Zhe Chen , Enze Xie , Lanqing Hong , Xihui Liu , Zhaoqiang Liu , Tong Lu , Zhenguo Li , Ping Luo
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