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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

Transformers for graph data are increasingly widely studied and successful in numerous learning tasks. Graph inductive biases are crucial for Graph Transformers, and previous works incorporate them using message-passing modules and/or…

Machine Learning · Computer Science 2023-08-22 Liheng Ma , Chen Lin , Derek Lim , Adriana Romero-Soriano , Puneet K. Dokania , Mark Coates , Philip Torr , Ser-Nam Lim

Diffusion Transformer (DiT) has emerged as the new trend of generative diffusion models on image generation. In view of extremely slow convergence in typical DiT, recent breakthroughs have been driven by mask strategy that significantly…

Computer Vision and Pattern Recognition · Computer Science 2024-03-26 Rui Zhu , Yingwei Pan , Yehao Li , Ting Yao , Zhenglong Sun , Tao Mei , Chang Wen Chen

Graph diffusion models, dominant in graph generative modeling, remain underexplored for graph-to-graph translation tasks like chemical reaction prediction. We demonstrate that standard permutation equivariant denoisers face fundamental…

Machine Learning · Computer Science 2025-06-10 Najwa Laabid , Severi Rissanen , Markus Heinonen , Arno Solin , Vikas Garg

Recovering high-dimensional statistical structure from limited measurements is a fundamental challenge in hyperspectral imaging, where capturing full-resolution data is often infeasible due to sensor, bandwidth, or acquisition constraints.…

Image and Video Processing · Electrical Eng. & Systems 2025-08-01 Jonathan Monsalve , Kumar Vijay Mishra

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

We present a parameter-efficient Diffusion Transformer (DiT) for generating 200bp cell-type-specific regulatory DNA sequences. By replacing the U-Net backbone of DNA-Diffusion with a transformer denoiser equipped with a 2D CNN input…

Machine Learning · Computer Science 2026-03-12 Jonathan Liu , Kia Ghods

Real-world data generation often involves complex inter-dependencies among instances, violating the IID-data hypothesis of standard learning paradigms and posing a challenge for uncovering the geometric structures for learning desired…

Machine Learning · Computer Science 2023-05-30 Qitian Wu , Chenxiao Yang , Wentao Zhao , Yixuan He , David Wipf , Junchi Yan

Explicit noise-level conditioning is widely regarded as essential for the effective operation of Graph Diffusion Models (GDMs). In this work, we challenge this assumption by investigating whether denoisers can implicitly infer noise levels…

Machine Learning · Computer Science 2025-06-12 Jipeng Li , Yanning Shen

Diffusion-based Deep Generative Models (DDGMs) offer state-of-the-art performance in generative modeling. Their main strength comes from their unique setup in which a model (the backward diffusion process) is trained to reverse the forward…

Machine Learning · Computer Science 2022-06-02 Kamil Deja , Anna Kuzina , Tomasz Trzciński , Jakub M. Tomczak

Generating visual layouts is an essential ingredient of graphic design. The ability to condition layout generation on a partial subset of component attributes is critical to real-world applications that involve user interaction. Recently,…

Computer Vision and Pattern Recognition · Computer Science 2023-03-08 Elad Levi , Eli Brosh , Mykola Mykhailych , Meir Perez

Graph generation has emerged as a crucial task in machine learning, with significant challenges in generating graphs that accurately reflect specific properties. Existing methods often fall short in efficiently addressing this need as they…

Diffusion-based graph generative models have recently obtained promising results for graph generation. However, existing diffusion-based graph generative models are mostly one-shot generative models that apply Gaussian diffusion in the…

Artificial Intelligence · Computer Science 2023-07-19 Lingkai Kong , Jiaming Cui , Haotian Sun , Yuchen Zhuang , B. Aditya Prakash , Chao Zhang

Learning-based MIMO detection has shown strong empirical performance, yet existing methods typically rely on fixed-depth architectures without explicitly modeling the progressive refinement of symbol estimates. In this paper, we revisit…

Information Theory · Computer Science 2026-05-04 Nan Jiang , Jiadong Hong , Lei Liu , Xinyu Bian , Wenjie Wang , Zhaoyang Zhang

Graph Transformers (GTs) have demonstrated great effectiveness across various graph analytical tasks. However, the existing GTs focus on training and testing graph data originated from the same distribution, but fail to generalize under…

Machine Learning · Computer Science 2026-03-16 Tianyin Liao , Ziwei Zhang , Yufei Sun , Chunyu Hu , Jianxin Li

Source localization is the inverse problem of graph information dissemination and has broad practical applications. However, the inherent intricacy and uncertainty in information dissemination pose significant challenges, and the ill-posed…

Machine Learning · Computer Science 2023-04-19 Bosong Huang , Weihao Yu , Ruzhong Xie , Jing Xiao , Jin Huang

Score-based diffusion models have significantly advanced generative deep learning for image processing. Measurement conditioned models have also been applied to inverse problems such as CT reconstruction. However, the conventional approach,…

Medical Physics · Physics 2025-02-24 Matthew Tivnan , Dufan Wu , Quanzheng Li

Deep generative models, particularly denoising diffusion models, have achieved remarkable success in high-fidelity generation of architected microstructures with desired properties and styles. Nevertheless, these recent methods typically…

Computational Engineering, Finance, and Science · Computer Science 2026-01-13 Weipeng Xu , Ziyuan Xie , Haoju Lin , Xinyu Wang , Guangjin Mou , Tianju Xue

Discrete Diffusion and Flow Matching models have significantly advanced generative modeling for discrete structures, including graphs. However, the dependencies between intermediate noisy states lead to error accumulation and propagation…

Machine Learning · Computer Science 2025-06-24 Yoann Boget

Molecular dynamics (MD) has long been the de facto choice for simulating complex atomistic systems from first principles. Recently deep learning models become a popular way to accelerate MD. Notwithstanding, existing models depend on…

Computational Engineering, Finance, and Science · Computer Science 2023-01-10 Fang Wu , Stan Z. Li