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Proteins are complex biomolecules that perform a variety of crucial functions within living organisms. Designing and generating novel proteins can pave the way for many future synthetic biology applications, including drug discovery.…

Diffusion models have achieved great success in modeling continuous data modalities such as images, audio, and video, but have seen limited use in discrete domains such as language. Recent attempts to adapt diffusion to language have…

Computation and Language · Computer Science 2023-11-08 Justin Lovelace , Varsha Kishore , Chao Wan , Eliot Shekhtman , Kilian Q. Weinberger

Diffusion-based methods represented as stochastic differential equations on a continuous-time domain have recently proven successful as a non-adversarial generative model. Training such models relies on denoising score matching, which can…

Machine Learning · Computer Science 2024-11-05 Sarthak Mittal , Korbinian Abstreiter , Stefan Bauer , Bernhard Schölkopf , Arash Mehrjou

Proteins are fundamental to biology, executing diverse functions through complex physicochemical interactions, and they hold transformative potential across medicine, materials science, and environmental applications. Protein Language…

Biomolecules · Quantitative Biology 2025-06-11 Logan Hallee , Nikolaos Rafailidis , David B. Bichara , Jason P. Gleghorn

Recent advances in latent diffusion models have demonstrated their effectiveness for high-resolution image synthesis. However, the properties of the latent space from tokenizer for better learning and generation of diffusion models remain…

Computer Vision and Pattern Recognition · Computer Science 2025-06-02 Hao Chen , Yujin Han , Fangyi Chen , Xiang Li , Yidong Wang , Jindong Wang , Ze Wang , Zicheng Liu , Difan Zou , Bhiksha Raj

Denoising diffusion models produce high-fidelity image samples by capturing the image distribution in a progressive manner while initializing with a simple distribution and compounding the distribution complexity. Although these models have…

Computer Vision and Pattern Recognition · Computer Science 2025-07-04 Ayantika Das , Moitreya Chaudhuri , Koushik Bhat , Keerthi Ram , Mihail Bota , Mohanasankar Sivaprakasam

Generative data augmentation with latent diffusion models is a promising strategy for addressing class imbalance in medical imaging, yet current approaches focus on perceptual fidelity and domain-specific autoencoder fine-tuning while…

Computer Vision and Pattern Recognition · Computer Science 2026-05-19 Mischa Dombrowski , Felix Nützel , Bernhard Kainz

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

As a class of fruitful approaches, diffusion probabilistic models (DPMs) have shown excellent advantages in high-resolution image reconstruction. On the other hand, masked autoencoders (MAEs), as popular self-supervised vision learners,…

Computer Vision and Pattern Recognition · Computer Science 2023-12-14 Zhiyuan Ma , zhihuan yu , Jianjun Li , Bowen Zhou

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

Latent diffusion models offer an attractive alternative to discrete diffusion for non-autoregressive text generation by operating on continuous text representations and denoising entire sequences in parallel. The major challenge in latent…

Computation and Language · Computer Science 2026-05-11 Viacheslav Meshchaninov , Alexander Shabalin , Egor Chimbulatov , Nikita Gushchin , Ilya Koziev , Alexander Korotin , Dmitry Vetrov

Recurrent models for sequences have been recently successful at many tasks, especially for language modeling and machine translation. Nevertheless, it remains challenging to extract good representations from these models. For instance, even…

Machine Learning · Computer Science 2018-01-31 Łukasz Kaiser , Samy Bengio

Multi-modal data-sets are ubiquitous in modern applications, and multi-modal Variational Autoencoders are a popular family of models that aim to learn a joint representation of the different modalities. However, existing approaches suffer…

Machine Learning · Computer Science 2023-12-19 Mustapha Bounoua , Giulio Franzese , Pietro Michiardi

Understanding protein sequences is vital and urgent for biology, healthcare, and medicine. Labeling approaches are expensive yet time-consuming, while the amount of unlabeled data is increasing quite faster than that of the labeled data due…

Computation and Language · Computer Science 2021-11-01 Liang He , Shizhuo Zhang , Lijun Wu , Huanhuan Xia , Fusong Ju , He Zhang , Siyuan Liu , Yingce Xia , Jianwei Zhu , Pan Deng , Bin Shao , Tao Qin , Tie-Yan Liu

The goal of protein representation learning is to extract knowledge from protein databases that can be applied to various protein-related downstream tasks. Although protein sequence, structure, and function are the three key modalities for…

Biomolecules · Quantitative Biology 2024-05-14 Eunji Ko , Seul Lee , Minseon Kim , Dongki Kim

Masked image modeling (MIM) has been recognized as a strong self-supervised pre-training approach in the vision domain. However, the mechanism and properties of the learned representations by such a scheme, as well as how to further enhance…

Computer Vision and Pattern Recognition · Computer Science 2024-04-10 Kevin Zhang , Zhiqiang Shen

Diffusion language models intrinsically fail to capture correlations between decoded tokens, which leads to a harsh trade-off between sampling quality and throughput. To solve this issue, we propose DiLaDiff, a variant of masked diffusion…

Machine Learning · Computer Science 2026-05-25 Jean-Marie Lemercier , Tomas Geffner , Karsten Kreis , Morteza Mardani , Arash Vahdat , Ante Jukić

Diffusion models (DMs) have achieved state-of-the-art results for image synthesis tasks as well as density estimation. Applied in the latent space of a powerful pretrained autoencoder (LDM), their immense computational requirements can be…

Computer Vision and Pattern Recognition · Computer Science 2022-10-21 Jeremias Traub

Inverse protein folding generates valid amino acid sequences that can fold into a desired protein structure, with recent deep-learning advances showing strong potential and competitive performance. However, challenges remain, such as…

Biomolecules · Quantitative Biology 2025-07-29 Peizhen Bai , Filip Miljković , Xianyuan Liu , Leonardo De Maria , Rebecca Croasdale-Wood , Owen Rackham , Haiping Lu

Many deep neural networks are susceptible to minute perturbations of images that have been carefully crafted to cause misclassification. Ideally, a robust classifier would be immune to small variations in input images, and a number of…

Computer Vision and Pattern Recognition · Computer Science 2022-02-08 Eashan Adhikarla , Dan Luo , Brian D. Davison
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