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Learning representations for structured data with certain geometries (e.g., observed or unobserved) is a fundamental challenge, wherein message passing neural networks (MPNNs) have become a de facto class of model solutions. In this paper,…

Machine Learning · Computer Science 2025-07-02 Qitian Wu , David Wipf , Junchi Yan

The capability of generalization is a cornerstone for the success of modern learning systems. For non-Euclidean data, e.g., graphs, that particularly involves topological structures, one important aspect neglected by prior studies is how…

Machine Learning · Computer Science 2025-06-24 Qitian Wu , Chenxiao Yang , Kaipeng Zeng , Michael Bronstein

Diffusion models have achieved state-of-the-art synthesis quality on both visual and audio tasks, and recent works further adapt them to textual data by diffusing on the embedding space. In this paper, we conduct systematic studies of the…

Computation and Language · Computer Science 2024-04-23 Zhujin Gao , Junliang Guo , Xu Tan , Yongxin Zhu , Fang Zhang , Jiang Bian , Linli Xu

Recently, diffusion transformers have gained wide attention with its excellent performance in text-to-image and text-to-vidoe models, emphasizing the need for transformers as backbone for diffusion models. Transformer-based models have…

Computer Vision and Pattern Recognition · Computer Science 2024-04-16 Nithin Gopalakrishnan Nair , Jeya Maria Jose Valanarasu , Vishal M. Patel

Networked urban systems facilitate the flow of people, resources, and services, and are essential for economic and social interactions. These systems often involve complex processes with unknown governing rules, observed by sensor-based…

Machine Learning · Computer Science 2025-08-04 Tong Nie , Jian Sun , Wei Ma

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

Diffusion frameworks have achieved comparable performance with previous state-of-the-art image generation models. Researchers are curious about its variants in discriminative tasks because of its powerful noise-to-image denoising pipeline.…

Computer Vision and Pattern Recognition · Computer Science 2022-12-29 Zhangxuan Gu , Haoxing Chen , Zhuoer Xu , Jun Lan , Changhua Meng , Weiqiang Wang

Diffusion models, a powerful and universal generative AI technology, have achieved tremendous success in computer vision, audio, reinforcement learning, and computational biology. In these applications, diffusion models provide flexible…

Machine Learning · Computer Science 2024-04-12 Minshuo Chen , Song Mei , Jianqing Fan , Mengdi Wang

Diffusion models have established themselves as state-of-the-art generative models across various data modalities, including images and videos, due to their ability to accurately approximate complex data distributions. Unlike traditional…

Machine Learning · Computer Science 2025-10-23 Daniel Wesego

This paper proposes a unified diffusion framework (dubbed UniDiffuser) to fit all distributions relevant to a set of multi-modal data in one model. Our key insight is -- learning diffusion models for marginal, conditional, and joint…

Machine Learning · Computer Science 2023-05-31 Fan Bao , Shen Nie , Kaiwen Xue , Chongxuan Li , Shi Pu , Yaole Wang , Gang Yue , Yue Cao , Hang Su , Jun Zhu

Real-world data generation often involves certain geometries (e.g., graphs) that induce instance-level interdependence. This characteristic makes the generalization of learning models more difficult due to the intricate interdependent…

Machine Learning · Computer Science 2024-06-10 Qitian Wu , Fan Nie , Chenxiao Yang , Junchi Yan

High-quality power flow datasets are essential for training machine learning models in power systems. However, security and privacy concerns restrict access to real-world data, making statistically accurate and physically consistent…

Machine Learning · Computer Science 2025-08-26 Milad Hoseinpour , Vladimir Dvorkin

Recent advances in deep learning have enabled the generation of realistic data by training generative models on large datasets of text, images, and audio. While these models have demonstrated exceptional performance in generating novel and…

Materials Science · Physics 2024-06-17 Izumi Takahara , Kiyou Shibata , Teruyasu Mizoguchi

In-context learning allows large models to adapt to new tasks from a few demonstrations, but it has shown limited success in molecular design. Existing databases such as ChEMBL contain molecular properties spanning millions of biological…

Machine Learning · Computer Science 2025-10-13 Gang Liu , Jie Chen , Yihan Zhu , Michael Sun , Tengfei Luo , Nitesh V Chawla , Meng Jiang

We construct a new kind of encoder, leveraging the expressive power of diffusion models. In a traditional variational autoencoder, the encoder and decoder jointly negotiate a latent representation of the input. This is made possible by the…

Machine Learning · Computer Science 2026-05-14 Akhil Premkumar , Sarah Lucioni

Learning representations on large-sized graphs is a long-standing challenge due to the inter-dependence nature involved in massive data points. Transformers, as an emerging class of foundation encoders for graph-structured data, have shown…

Machine Learning · Computer Science 2024-08-19 Qitian Wu , Wentao Zhao , Chenxiao Yang , Hengrui Zhang , Fan Nie , Haitian Jiang , Yatao Bian , Junchi Yan

While many unsupervised learning models focus on one family of tasks, either generative or discriminative, we explore the possibility of a unified representation learner: a model which addresses both families of tasks simultaneously. We…

Computer Vision and Pattern Recognition · Computer Science 2024-09-25 Soumik Mukhopadhyay , Matthew Gwilliam , Yosuke Yamaguchi , Vatsal Agarwal , Namitha Padmanabhan , Archana Swaminathan , Tianyi Zhou , Jun Ohya , Abhinav Shrivastava

Many applications can benefit from personalized image generation models, including image enhancement, video conferences, just to name a few. Existing works achieved personalization by fine-tuning one model for each person. While being…

Computer Vision and Pattern Recognition · Computer Science 2023-04-18 Yu-Chuan Su , Kelvin C. K. Chan , Yandong Li , Yang Zhao , Han Zhang , Boqing Gong , Huisheng Wang , Xuhui Jia

Transformers have achieved great success in several domains, including Natural Language Processing and Computer Vision. However, its application to real-world graphs is less explored, mainly due to its high computation cost and its poor…

Machine Learning · Computer Science 2023-01-31 Weilin Cong , Yanhong Wu , Yuandong Tian , Mengting Gu , Yinglong Xia , Chun-cheng Jason Chen , Mehrdad Mahdavi

We present diffusion-convolutional neural networks (DCNNs), a new model for graph-structured data. Through the introduction of a diffusion-convolution operation, we show how diffusion-based representations can be learned from…

Machine Learning · Computer Science 2016-07-11 James Atwood , Don Towsley
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