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The recent breakthrough of AlphaFold3 in modeling complex biomolecular interactions, including those between proteins and ligands, nucleotides, or metal ions, creates new opportunities for protein design. In so-called inverse protein…

Biomolecules · Quantitative Biology 2025-07-22 Kai Yi , Kiarash Jamali , Sjors H. W. Scheres

We introduce Autoregressive Diffusion Models (ARDMs), a model class encompassing and generalizing order-agnostic autoregressive models (Uria et al., 2014) and absorbing discrete diffusion (Austin et al., 2021), which we show are special…

Machine Learning · Computer Science 2022-02-03 Emiel Hoogeboom , Alexey A. Gritsenko , Jasmijn Bastings , Ben Poole , Rianne van den Berg , Tim Salimans

Denoising diffusion models (DDMs) have recently attracted increasing attention by showing impressive synthesis quality. DDMs are built on a diffusion process that pushes data to the noise distribution and the models learn to denoise. In…

Machine Learning · Computer Science 2023-05-16 Jaemoo Choi , Yesom Park , Myungjoo Kang

Diffusion models have emerged as a key pillar of foundation models in visual domains. One of their critical applications is to universally solve different downstream inverse tasks via a single diffusion prior without re-training for each…

Machine Learning · Computer Science 2023-10-03 Morteza Mardani , Jiaming Song , Jan Kautz , Arash Vahdat

Diffusion language models have recently emerged as a competitive alternative to autoregressive language models. Beyond next-token generation, they are more efficient and flexible by enabling parallel and any-order token generation. However,…

Machine Learning · Computer Science 2025-11-18 Chenxiao Yang , Cai Zhou , David Wipf , Zhiyuan Li

The discovery of novel proteins relies on sensitive protein identification, for which de novo peptide sequencing (DNPS) from mass spectra is a crucial approach. While deep learning has advanced DNPS, existing models inadequately enforce the…

Quantitative Methods · Quantitative Biology 2026-02-25 Shaorong Chen , Jingbo Zhou , Jun Xia

Diffusion models (DMs) have demonstrated to be powerful priors for signal recovery, but their application to 1-bit quantization tasks, such as 1-bit compressed sensing and logistic regression, remains a challenge. This difficulty stems from…

Machine Learning · Computer Science 2026-01-13 Youming Chen , Zhaoqiang Liu

To fully leverage the capabilities of diffusion models, we are often interested in optimizing downstream reward functions during inference. While numerous algorithms for reward-guided generation have been recently proposed due to their…

Machine Learning · Computer Science 2025-04-18 Masatoshi Uehara , Xingyu Su , Yulai Zhao , Xiner Li , Aviv Regev , Shuiwang Ji , Sergey Levine , Tommaso Biancalani

Out-of-distribution detection is crucial to the safe deployment of machine learning systems. Currently, unsupervised out-of-distribution detection is dominated by generative-based approaches that make use of estimates of the likelihood or…

Image denoising is a fundamental and challenging task in the field of computer vision. Most supervised denoising methods learn to reconstruct clean images from noisy inputs, which have intrinsic spectral bias and tend to produce…

Computer Vision and Pattern Recognition · Computer Science 2023-09-20 Yujin Wang , Lingen Li , Tianfan Xue , Jinwei Gu

Anomaly detection has garnered extensive applications in real industrial manufacturing due to its remarkable effectiveness and efficiency. However, previous generative-based models have been limited by suboptimal reconstruction quality,…

Computer Vision and Pattern Recognition · Computer Science 2025-05-20 Hui Zhang , Zheng Wang , Dan Zeng , Zuxuan Wu , Yu-Gang Jiang

Recent advancements in diffusion models have demonstrated significant success in unsupervised anomaly segmentation. For anomaly segmentation, these models are first trained on normal data; then, an anomalous image is noised to an…

Computer Vision and Pattern Recognition · Computer Science 2025-08-08 Mehrdad Moradi , Kamran Paynabar

Recent advances in imaging and high-performance computing have made it possible to image the entire human brain at the cellular level. This is the basis to study the multi-scale architecture of the brain regarding its subdivision into brain…

Image and Video Processing · Electrical Eng. & Systems 2023-11-29 Jan-Oliver Kropp , Christian Schiffer , Katrin Amunts , Timo Dickscheid

Masked diffusion models (MDMs) generate discrete sequences by iterative denoising under an absorbing masking process. In standard masked diffusion, if a token remains masked after a reverse update, the model discards its clean-state…

Machine Learning · Computer Science 2026-05-01 Michael Cardei , Huu Binh Ta , Ferdinando Fioretto

Constructing atom-resolved states from low-resolution data is of practical importance in many areas of science and engineering. This problem is addressed in this paper in the context of multiscale factorization methods for molecular…

Computational Physics · Physics 2016-04-14 Andrew Abi Mansour , Peter J. Ortoleva

Light microscopy is a widespread and inexpensive imaging technique facilitating biomedical discovery and diagnostics. However, light diffraction barrier and imperfections in optics limit the level of detail of the acquired images. The…

Quantitative Methods · Quantitative Biology 2026-03-24 Rui Li , Gabriel della Maggiora , Vardan Andriasyan , Anthony Petkidis , Artsemi Yushkevich , Mikhail Kudryashev , Artur Yakimovich

Diffusion-based models decompose sampling into many small Gaussian denoising steps -- an assumption that breaks down when generation is compressed to a few coarse transitions. Existing few-step methods address this through distillation,…

Computer Vision and Pattern Recognition · Computer Science 2026-05-14 Jiatao Gu , Tianrong Chen , Ying Shen , David Berthelot , Shuangfei Zhai , Josh Susskind

Diffusion models have emerged as a prominent technique in generative modeling with neural networks, making their mark in tasks like text-to-image translation and super-resolution. In this tutorial, we provide a comprehensive guide to build…

Image and Video Processing · Electrical Eng. & Systems 2025-01-24 Harshith Bachimanchi , Giovanni Volpe

Probabilistic generative models based on measure transport, such as diffusion and flow-based models, are often formulated in the language of Markovian stochastic dynamics, where the choice of the underlying process impacts both algorithmic…

Machine Learning · Computer Science 2026-04-06 Yinuo Ren , Grant M. Rotskoff , Lexing Ying

Understanding the dynamic behavior of proteins is critical to elucidating their functional mechanisms, yet generating realistic, temporally coherent trajectories of protein ensembles remains a significant challenge. In this work, we…

Biomolecules · Quantitative Biology 2025-11-11 Yaoyao Xu , Di Wang , Zihan Zhou , Tianshu Yu , Mingchen Chen