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We introduce HyperDiffusionFields (HyDiF), a framework that models 3D molecular conformers as continuous fields rather than discrete atomic coordinates or graphs. At the core of our approach is the Molecular Directional Field (MDF), a…

Machine Learning · Computer Science 2025-10-22 Sudarshan Babu , Phillip Lo , Xiao Zhang , Aadi Srivastava , Ali Davariashtiyani , Jason Perera , Michael Maire , Aly A. Khan

Unsupervised learning of feature representations is a challenging yet important problem for analyzing a large collection of multimedia data that do not have semantic labels. Recently proposed neural network-based unsupervised learning…

Computer Vision and Pattern Recognition · Computer Science 2022-11-15 Takahiko Furuya , Ryutarou Ohbuchi

Diffusion probabilistic models have recently achieved remarkable success in generating high-quality images. However, balancing high perceptual quality and low distortion remains challenging in application of diffusion models in image…

Image and Video Processing · Electrical Eng. & Systems 2025-12-23 Juan Song , Jiaxiang He , Lijie Yang , Mingtao Feng , Keyan Wang

Diffusion models have emerged as a promising approach for text generation, with recent works falling into two main categories: discrete and continuous diffusion models. Discrete diffusion models apply token corruption independently using…

Computation and Language · Computer Science 2025-05-29 Bocheng Li , Zhujin Gao , Linli Xu

The computational prediction of a protein structure from its sequence generally relies on a method to assess the quality of protein models. Most assessment methods rank candidate models using heavily engineered structural features, defined…

Biomolecules · Quantitative Biology 2018-11-26 Georgy Derevyanko , Sergei Grudinin , Yoshua Bengio , Guillaume Lamoureux

Estimating correspondences between pairs of deformable shapes remains a challenging problem. Despite substantial progress, existing methods lack broad generalization capabilities and require category-specific training data. To address these…

Computer Vision and Pattern Recognition · Computer Science 2025-04-03 Aleksei Zhuravlev , Zorah Lähner , Vladislav Golyanik

The advent of deep learning has introduced efficient approaches for de novo protein sequence design, significantly improving success rates and reducing development costs compared to computational or experimental methods. However, existing…

Artificial Intelligence · Computer Science 2024-07-11 Yutong Hu , Yang Tan , Andi Han , Lirong Zheng , Liang Hong , Bingxin Zhou

Understanding causal dependencies in observational data is critical for informing decision-making. These relationships are often modeled as Bayesian Networks (BNs) and Directed Acyclic Graphs (DAGs). Existing methods, such as NOTEARS and…

Machine Learning · Computer Science 2026-04-03 Hao Zhu , Di Zhou , Donna Slonim

Since the development of self-supervised visual representation learning from contrastive learning to masked image modeling (MIM), there is no significant difference in essence, that is, how to design proper pretext tasks for vision…

Computer Vision and Pattern Recognition · Computer Science 2023-01-31 Kun Yi , Yixiao Ge , Xiaotong Li , Shusheng Yang , Dian Li , Jianping Wu , Ying Shan , Xiaohu Qie

Diffusion model has emerged as the \emph{de-facto} model for image generation, yet the heavy training overhead hinders its broader adoption in the research community. We observe that diffusion models are commonly trained to learn all…

Computer Vision and Pattern Recognition · Computer Science 2023-11-29 Jiachen Lei , Qinglong Wang , Peng Cheng , Zhongjie Ba , Zhan Qin , Zhibo Wang , Zhenguang Liu , Kui Ren

Generating ligand molecules for specific protein targets, known as structure-based drug design, is a fundamental problem in therapeutics development and biological discovery. Recently, target-aware generative models, especially diffusion…

Biomolecules · Quantitative Biology 2024-10-29 Siyi Gu , Minkai Xu , Alexander Powers , Weili Nie , Tomas Geffner , Karsten Kreis , Jure Leskovec , Arash Vahdat , Stefano Ermon

This paper presents PolyDiffuse, a novel structured reconstruction algorithm that transforms visual sensor data into polygonal shapes with Diffusion Models (DM), an emerging machinery amid exploding generative AI, while formulating…

Computer Vision and Pattern Recognition · Computer Science 2023-12-27 Jiacheng Chen , Ruizhi Deng , Yasutaka Furukawa

Denoising diffusion models are a novel class of generative algorithms that achieve state-of-the-art performance across a range of domains, including image generation and text-to-image tasks. Building on this success, diffusion models have…

Machine Learning · Computer Science 2024-03-08 Nic Fishman , Leo Klarner , Valentin De Bortoli , Emile Mathieu , Michael Hutchinson

Diffusion models are powerful tools for sampling from high-dimensional distributions by progressively transforming pure noise into structured data through a denoising process. When equipped with a guidance mechanism, these models can also…

Machine Learning · Computer Science 2026-05-04 Saeed Mohseni-Sehdeh , Walid Saad , Kei Sakaguchi , Tao Yu

There has been a lot of recent interest in designing neural network models to estimate a distribution from a set of examples. We introduce a simple modification for autoencoder neural networks that yields powerful generative models. Our…

Machine Learning · Computer Science 2015-06-08 Mathieu Germain , Karol Gregor , Iain Murray , Hugo Larochelle

Widely adopted medical image segmentation methods, although efficient, are primarily deterministic and remain poorly amenable to natural language prompts. Thus, they lack the capability to estimate multiple proposals, human interaction, and…

Computer Vision and Pattern Recognition · Computer Science 2026-01-23 Yuan Lin , Murong Xu , Marc Hölle , Chinmay Prabhakar , Andreas Maier , Vasileios Belagiannis , Bjoern Menze , Suprosanna Shit

3D scene reconstruction from 2D images has been a long-standing task. Instead of estimating per-frame depth maps and fusing them in 3D, recent research leverages the neural implicit surface as a unified representation for 3D reconstruction.…

Computer Vision and Pattern Recognition · Computer Science 2023-09-19 Xinyi Yu , Liqin Lu , Jintao Rong , Guangkai Xu , Linlin Ou

Recent advancements in deep learning for medical image segmentation are often limited by the scarcity of high-quality training data.While diffusion models provide a potential solution by generating synthetic images, their effectiveness in…

Computer Vision and Pattern Recognition · Computer Science 2025-07-02 Jianhao Xie , Ziang Zhang , Zhenyu Weng , Yuesheng Zhu , Guibo Luo

We propose GRAM-DIFF, a Gram-matrix-guided diffusion framework for semi-blind multiple input multiple output (MIMO) channel estimation. Recent diffusion-based estimators leverage learned generative priors to improve pilot-based channel…

Information Theory · Computer Science 2026-02-18 Xinyuan Wang , Krishna Narayanan

As a class of generative artificial intelligence frameworks inspired by statistical physics, diffusion models have shown extraordinary performance in synthesizing complicated data distributions through a denoising process gradually guided…

Machine Learning · Computer Science 2026-04-23 Fangjun Hu , Guangkuo Liu , Yifan F. Zhang , Xun Gao
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