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Recently, the superior performance of Transformers has made them a more robust and scalable solution for sequence modeling than traditional recurrent neural networks (RNNs). However, the effectiveness of Transformer in capturing long-term…

Machine Learning · Computer Science 2025-05-07 Zhou Wu , Junyi An , Baile Xu , Furao Shen , Jian Zhao

The popularity of deep learning techniques renewed the interest in neural architectures able to process complex structures that can be represented using graphs, inspired by Graph Neural Networks (GNNs). We focus our attention on the…

Machine Learning · Computer Science 2021-09-02 Matteo Tiezzi , Giuseppe Marra , Stefano Melacci , Marco Maggini

The dominant paradigm for machine learning on graphs uses Message Passing Graph Neural Networks (MP-GNNs), in which node representations are updated by aggregating information in their local neighborhood. Recently, there have been…

Machine Learning · Computer Science 2023-03-02 Daniel Glickman , Eran Yahav

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

Disentangled representation learning strives to extract the intrinsic factors within observed data. Factorizing these representations in an unsupervised manner is notably challenging and usually requires tailored loss functions or specific…

Computer Vision and Pattern Recognition · Computer Science 2024-06-13 Tao Yang , Cuiling Lan , Yan Lu , Nanning zheng

Diffusion models have shown an impressive ability to model complex data distributions, with several key advantages over GANs, such as stable training, better coverage of the training distribution's modes, and the ability to solve inverse…

Computer Vision and Pattern Recognition · Computer Science 2024-06-12 Yinbo Chen , Oliver Wang , Richard Zhang , Eli Shechtman , Xiaolong Wang , Michael Gharbi

Understanding and predicting interface diffusion phenomena in materials is crucial for various industrial applications, including semiconductor manufacturing, battery technology, and catalysis. In this study, we propose a novel approach…

Materials Science · Physics 2025-01-13 Zirui Zhao , Hai-Feng Li

Constructing appropriate representations of molecules lies at the core of numerous tasks such as material science, chemistry and drug designs. Recent researches abstract molecules as attributed graphs and employ graph neural networks (GNN)…

Machine Learning · Computer Science 2021-07-29 Jianwen Chen , Shuangjia Zheng , Ying Song , Jiahua Rao , Yuedong Yang

Message-passing neural networks (MPNNs) are a powerful framework for learning representations of graph-structured domains. However, weights in MPNNs act on features only, limiting their ability to capture structural patterns. We introduce a…

Machine Learning · Computer Science 2026-05-26 Florian Seiffarth

We establish connections between the Transformer architecture, originally introduced for natural language processing, and Graph Neural Networks (GNNs) for representation learning on graphs. We show how Transformers can be viewed as message…

Machine Learning · Computer Science 2025-06-30 Chaitanya K. Joshi

There has been a growing interest in developing diffusion-based Graph Neural Networks (GNNs), building on the connections between message passing mechanisms in GNNs and physical diffusion processes. However, existing methods suffer from…

Machine Learning · Computer Science 2025-08-18 Asela Hevapathige , Asiri Wijesinghe , Ahad N. Zehmakan

Spiking neural networks (SNNs) have low power consumption and bio-interpretable characteristics, and are considered to have tremendous potential for energy-efficient computing. However, the exploration of SNNs on image generation tasks…

Computer Vision and Pattern Recognition · Computer Science 2024-02-27 Shu Yang , Hanzhi Ma , Chengting Yu , Aili Wang , Er-Ping Li

In this work we propose Pathfinder Discovery Networks (PDNs), a method for jointly learning a message passing graph over a multiplex network with a downstream semi-supervised model. PDNs inductively learn an aggregated weight for each edge,…

Machine Learning · Computer Science 2021-02-18 Benedek Rozemberczki , Peter Englert , Amol Kapoor , Martin Blais , Bryan Perozzi

Diffusion, a fundamental internal mechanism emerging in many physical processes, describes the interaction among different objects. In many learning tasks with limited training samples, the diffusion connects the labeled and unlabeled data…

Machine Learning · Computer Science 2023-05-02 Tangjun Wang , Zehao Dou , Chenglong Bao , Zuoqiang Shi

The predominant success of diffusion models in generative modeling has spurred significant interest in understanding their theoretical foundations. In this work, we propose a feature learning framework aimed at analyzing and comparing the…

Machine Learning · Statistics 2025-03-04 Andi Han , Wei Huang , Yuan Cao , Difan Zou

Latent space Energy-Based Models (EBMs), also known as energy-based priors, have drawn growing interests in generative modeling. Fueled by its flexibility in the formulation and strong modeling power of the latent space, recent works built…

Machine Learning · Computer Science 2023-10-06 Peiyu Yu , Sirui Xie , Xiaojian Ma , Baoxiong Jia , Bo Pang , Ruiqi Gao , Yixin Zhu , Song-Chun Zhu , Ying Nian Wu

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

The interaction of neural networks with physical equations offers a wide range of applications. We provide a method which enables a neural network to transform objects subject to given physical constraints. Therefore an U-Net architecture…

Artificial Intelligence · Computer Science 2021-03-22 Lukas Harsch , Johannes Burgbacher , Stefan Riedelbauch

Diffusion models have shown remarkable performance on many generative tasks. Despite recent success, most diffusion models are restricted in that they only allow linear transformation of the data distribution. In contrast, broader family of…

Machine Learning · Computer Science 2024-06-04 Grigory Bartosh , Dmitry Vetrov , Christian A. Naesseth

Conventional diffusion models typically relies on a fixed forward process, which implicitly defines complex marginal distributions over latent variables. This can often complicate the reverse process' task in learning generative…

Machine Learning · Statistics 2025-06-10 Grigory Bartosh , Dmitry Vetrov , Christian A. Naesseth