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Protein structure prediction and folding are fundamental to understanding biology, with recent deep learning advances reshaping the field. Diffusion-based generative models have revolutionized protein design, enabling the creation of novel…

Machine Learning · Computer Science 2025-10-01 Yogesh Verma , Markus Heinonen , Vikas Garg

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

Diffusion probabilistic models learn to remove noise added during training, generating novel data (e.g., images) from Gaussian noise through sequential denoising. However, conditioning the generative process on corrupted or masked images is…

Computer Vision and Pattern Recognition · Computer Science 2026-05-01 Sakshi Agarwal , Gabriel Hope , Jimin Heo , Erik B. Sudderth

Amodal Instance Segmentation (AIS) presents an intriguing challenge, including the segmentation prediction of both visible and occluded parts of objects within images. Previous methods have often relied on shape prior information gleaned…

Computer Vision and Pattern Recognition · Computer Science 2024-10-08 Minh Tran , Khoa Vo , Tri Nguyen , Ngan Le

Denoising diffusion models have shown great potential in multiple research areas. Existing diffusion-based generative methods on de novo 3D molecule generation face two major challenges. Since majority heavy atoms in molecules allow…

Machine Learning · Computer Science 2024-04-23 Can Xu , Haosen Wang , Weigang Wang , Pengfei Zheng , Hongyang Chen

Masked diffusion models (MDMs), which leverage bidirectional attention and a denoising process, are narrowing the performance gap with autoregressive models (ARMs). However, their internal attention mechanisms remain under-explored. This…

Artificial Intelligence · Computer Science 2026-01-13 Pengcheng Huang , Tianming Liu , Zhenghao Liu , Yukun Yan , Shuo Wang , Tong Xiao , Zulong Chen , Maosong Sun

Existing diffusion models have made significant progress in generating realistic images. However, their direct adaptation to remote sensing imagery often disregards intrinsic physical laws. This oversight frequently leads to spectral…

Computer Vision and Pattern Recognition · Computer Science 2026-05-15 Zuopeng Zhao , Ying Liu , Xiaoyu Li , Su Luo , Lu Li , Wenwen Liu

With the widespread use of online social media platforms, information diffusion has become a prevalent phenomenon, making Information Diffusion Prediction (IDP) increasingly important for various applications. Despite significant…

Social and Information Networks · Computer Science 2024-11-01 Songbo Yang

We propose Mask Guided (MG) Matting, a robust matting framework that takes a general coarse mask as guidance. MG Matting leverages a network (PRN) design which encourages the matting model to provide self-guidance to progressively refine…

Computer Vision and Pattern Recognition · Computer Science 2021-04-05 Qihang Yu , Jianming Zhang , He Zhang , Yilin Wang , Zhe Lin , Ning Xu , Yutong Bai , Alan Yuille

Learning-based lossless image compression employs pixel-based or subimage-based auto-regression for probability estimation, which achieves desirable performances. However, the existing works only consider context dependencies in one…

Image and Video Processing · Electrical Eng. & Systems 2025-03-17 Tiantian Li , Qunbing Xia , Yue Li , Ruixiao Guo , Gaobo Yang

Motif scaffolding seeks to design scaffold structures for constructing proteins with functions derived from the desired motif, which is crucial for the design of vaccines and enzymes. Previous works approach the problem by inpainting or…

Biomolecules · Quantitative Biology 2024-06-06 Ke Liu , Weian Mao , Shuaike Shen , Xiaoran Jiao , Zheng Sun , Hao Chen , Chunhua Shen

Motivation Protein fold recognition is an important problem in structural bioinformatics. Almost all traditional fold recognition methods use sequence (homology) comparison to indirectly predict the fold of a tar get protein based on the…

Machine Learning · Computer Science 2017-06-06 Jie Hou , Badri Adhikari , Jianlin Cheng

Any order generation of discrete data using masked diffusion models (MDMs) offers a compelling alternative to traditional autoregressive models, especially in domains that lack a natural causal ordering of data. However, current popular…

Discrete diffusion models are a powerful class of generative models with strong performance across many domains. For efficiency, however, discrete diffusion typically parameterizes the generative (reverse) process with factorized…

Machine Learning · Statistics 2026-05-19 Grigory Bartosh , Teodora Pandeva , Sushrut Karmalkar , Javier Zazo

We present Masked Frequency Modeling (MFM), a unified frequency-domain-based approach for self-supervised pre-training of visual models. Instead of randomly inserting mask tokens to the input embeddings in the spatial domain, in this paper,…

Computer Vision and Pattern Recognition · Computer Science 2023-04-26 Jiahao Xie , Wei Li , Xiaohang Zhan , Ziwei Liu , Yew Soon Ong , Chen Change Loy

Inverse Protein Folding (IPF) is a critical subtask in the field of protein design, aiming to engineer amino acid sequences capable of folding correctly into a specified three-dimensional (3D) conformation. Although substantial progress has…

Computation and Language · Computer Science 2025-05-20 Yanting Li , Jiyue Jiang , Zikang Wang , Ziqian Lin , Dongchen He , Yuheng Shan , Yanruisheng Shao , Jiayi Li , Xiangyu Shi , Jiuming Wang , Yanyu Chen , Yimin Fan , Han Li , Yu Li

Diffusion Probabilistic Methods are employed for state-of-the-art image generation. In this work, we present a method for extending such models for performing image segmentation. The method learns end-to-end, without relying on a…

Computer Vision and Pattern Recognition · Computer Science 2022-09-08 Tomer Amit , Tal Shaharbany , Eliya Nachmani , Lior Wolf

Vision-language foundation models such as CLIP have achieved tremendous results in global vision-language alignment, but still show some limitations in creating representations for specific image regions. % To address this problem, we…

Computer Vision and Pattern Recognition · Computer Science 2026-02-16 Walid Bousselham , Sofian Chaybouti , Christian Rupprecht , Vittorio Ferrari , Hilde Kuehne

Denoising diffusion probabilistic models have recently demonstrated state-of-the-art generative performance and have been used as strong pixel-level representation learners. This paper decomposes the interrelation between the generative…

Computer Vision and Pattern Recognition · Computer Science 2024-04-16 Zixuan Pan , Jianxu Chen , Yiyu Shi

Mesh-agnostic models have advantages in terms of processing unstructured spatial data and incorporating partial differential equations. Recently, they have been widely studied for constructing physics-informed neural networks, but they need…

Fluid Dynamics · Physics 2024-04-22 Runze Li , Yufei Zhang , Haixin Chen
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