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Mass spectrometry plays a fundamental role in elucidating the structures of unknown molecules and subsequent scientific discoveries. One formulation of the structure elucidation task is the conditional de novo generation of molecular…

Machine Learning · Computer Science 2025-05-29 Montgomery Bohde , Mrunali Manjrekar , Runzhong Wang , Shuiwang Ji , Connor W. Coley

Despite the remarkable success of diffusion models in text-to-image generation, their effectiveness in grounded visual editing and compositional control remains challenging. Motivated by advances in self-supervised learning and in-context…

Computer Vision and Pattern Recognition · Computer Science 2025-07-21 Shreya Kadambi , Risheek Garrepalli , Shubhankar Borse , Munawar Hyatt , Fatih Porikli

Diffusion models have emerged as one of the most promising frameworks for deep generative modeling. In this work, we explore the potential of non-uniform diffusion models. We show that non-uniform diffusion leads to multi-scale diffusion…

Machine Learning · Computer Science 2022-07-21 Georgios Batzolis , Jan Stanczuk , Carola-Bibiane Schönlieb , Christian Etmann

Creating images from noise is image generation; reconstructing fine details from coarse inputs is super-resolution. Despite their practical differences, both can be understood as reversing information loss across scales. We introduce…

Computer Vision and Pattern Recognition · Computer Science 2026-05-26 Zixin Jessie Chen , Zhuo Chen , Archer Wang , Jeff Gore , William T. Freeman , Congyue Deng , Marin Soljačić

Generative models have made significant impacts across various domains, largely due to their ability to scale during training by increasing data, computational resources, and model size, a phenomenon characterized by the scaling laws.…

Computer Vision and Pattern Recognition · Computer Science 2025-01-17 Nanye Ma , Shangyuan Tong , Haolin Jia , Hexiang Hu , Yu-Chuan Su , Mingda Zhang , Xuan Yang , Yandong Li , Tommi Jaakkola , Xuhui Jia , Saining Xie

The paradigm shift toward structure-driven molecule generation has been propelled by advances in deep generative models, such as variational auto-encoders and diffusion models. However, these generative models for molecular design remain…

Machine Learning · Computer Science 2026-04-17 Peidong Liu , Wenbo Zhang , Wei Ju , Jiancheng Lv , Xianggen Liu

Molecular structure elucidation from spectra is a fundamental challenge in molecular science. Conventional approaches rely heavily on expert interpretation and lack scalability, while retrieval-based machine learning approaches remain…

Machine Learning · Computer Science 2025-11-06 Liang Wang , Yu Rong , Tingyang Xu , Zhenyi Zhong , Zhiyuan Liu , Pengju Wang , Deli Zhao , Qiang Liu , Shu Wu , Liang Wang , Yang Zhang

In this work, we explore an untapped signal in diffusion model inference. While all previous methods generate images independently at inference, we instead ask if samples can be generated collaboratively. We propose Group Diffusion,…

Computer Vision and Pattern Recognition · Computer Science 2025-12-12 Sicheng Mo , Thao Nguyen , Richard Zhang , Nick Kolkin , Siddharth Srinivasan Iyer , Eli Shechtman , Krishna Kumar Singh , Yong Jae Lee , Bolei Zhou , Yuheng Li

Infrared imagery enables temperature-based scene understanding using passive sensors, particularly under conditions of low visibility where traditional RGB imaging fails. Yet, developing downstream vision models for infrared applications is…

Computer Vision and Pattern Recognition · Computer Science 2025-11-11 Kai A. Horstmann , Maxim Clouser , Kia Khezeli

The class-conditional image generation based on diffusion models is renowned for generating high-quality and diverse images. However, most prior efforts focus on generating images for general categories, e.g., 1000 classes in ImageNet-1k. A…

Computer Vision and Pattern Recognition · Computer Science 2024-06-05 Ziying Pan , Kun Wang , Gang Li , Feihong He , Yongxuan Lai

Semantic segmentation is essential in computer vision for various applications, yet traditional approaches face significant challenges, including the high cost of annotation and extensive training for supervised learning. Additionally, due…

Computer Vision and Pattern Recognition · Computer Science 2024-03-19 Yasufumi Kawano , Yoshimitsu Aoki

Diffusion models promise efficient parallel text generation but rely on bidirectional attention, creating a structural mismatch with pre-trained Autoregressive (AR) models. This incompatibility precludes reusing robust AR priors,…

Computation and Language · Computer Science 2026-05-29 Xiangyu Ma , Teng Xiao , Zuchao Li , Lefei Zhang

Curating datasets for object segmentation is a difficult task. With the advent of large-scale pre-trained generative models, conditional image generation has been given a significant boost in result quality and ease of use. In this paper,…

Computer Vision and Pattern Recognition · Computer Science 2023-09-06 Mischa Dombrowski , Hadrien Reynaud , Matthew Baugh , Bernhard Kainz

Discrete diffusion models generate sequences by iteratively denoising samples corrupted by categorical noise, offering an appealing alternative to autoregressive decoding for structured and symbolic generation. However, standard training…

Machine Learning · Computer Science 2026-02-04 Huu Binh Ta , Michael Cardei , Alvaro Velasquez , Ferdinando Fioretto

Diffusion models are emerging expressive generative models, in which a large number of time steps (inference steps) are required for a single image generation. To accelerate such tedious process, reducing steps uniformly is considered as an…

Computer Vision and Pattern Recognition · Computer Science 2023-09-26 Lijiang Li , Huixia Li , Xiawu Zheng , Jie Wu , Xuefeng Xiao , Rui Wang , Min Zheng , Xin Pan , Fei Chao , Rongrong Ji

Diffusion generative models have emerged as a powerful framework for addressing problems in structural biology and structure-based drug design. These models operate directly on 3D molecular structures. Due to the unfavorable scaling of…

Biomolecules · Quantitative Biology 2024-05-10 Ian Dunn , David Ryan Koes

Diffusion models have shown remarkable success across a wide range of generative tasks. However, they often suffer from spatially inconsistent generation, arguably due to the inherent locality of their denoising mechanisms. This can yield…

Machine Learning · Computer Science 2026-02-04 Wenshuai Zhao , Zhiyuan Li , Yi Zhao , Mohammad Hassan Vali , Martin Trapp , Joni Pajarinen , Juho Kannala , Arno Solin

The research community has witnessed the powerful potential of self-supervised Masked Image Modeling (MIM), which enables the models capable of learning visual representation from unlabeled data. In this paper, to incorporate both the…

Computer Vision and Pattern Recognition · Computer Science 2023-12-01 Wenxuan Wang , Jing Wang , Chen Chen , Jianbo Jiao , Yuanxiu Cai , Shanshan Song , Jiangyun Li

Camouflaged object detection is a challenging task that aims to identify objects that are highly similar to their background. Due to the powerful noise-to-image denoising capability of denoising diffusion models, in this paper, we propose a…

Computer Vision and Pattern Recognition · Computer Science 2023-08-08 Zhennan Chen , Rongrong Gao , Tian-Zhu Xiang , Fan Lin

Visual diffusion models achieve remarkable progress, yet they are typically trained at limited resolutions due to the lack of high-resolution data and constrained computation resources, hampering their ability to generate high-fidelity…

Computer Vision and Pattern Recognition · Computer Science 2025-07-14 Haonan Qiu , Shiwei Zhang , Yujie Wei , Ruihang Chu , Hangjie Yuan , Xiang Wang , Yingya Zhang , Ziwei Liu
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