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Protein inverse folding aims to identify viable amino acid sequences that can fold into given protein structures, enabling the design of novel proteins with desired functions for applications in drug discovery, enzyme engineering, and…

Quantitative Methods · Quantitative Biology 2024-11-05 Taoyu Wu , Yu Guang Wang , Yiqing Shen

Diffusion models generate high-quality synthetic data. They operate by defining a continuous-time forward process which gradually adds Gaussian noise to data until fully corrupted. The corresponding reverse process progressively "denoises"…

Advances in microscopy imaging enable researchers to visualize structures at the nanoscale level thereby unraveling intricate details of biological organization. However, challenges such as image noise, photobleaching of fluorophores, and…

Image and Video Processing · Electrical Eng. & Systems 2024-09-19 Pamela Osuna-Vargas , Maren H. Wehrheim , Lucas Zinz , Johanna Rahm , Ashwin Balakrishnan , Alexandra Kaminer , Mike Heilemann , Matthias Kaschube

Background: The inception of next generations sequencing technologies have exponentially increased the volume of biological sequence data. Protein sequences, being quoted as the `language of life', has been analyzed for a multitude of…

Quantitative Methods · Quantitative Biology 2020-12-08 Nabil Ibtehaz , S. M. Shakhawat Hossain Sourav , Md. Shamsuzzoha Bayzid , M. Sohel Rahman

Methods for automatic chemical retrosynthesis have found recent success through the application of models traditionally built for natural language processing, primarily through transformer neural networks. These models have demonstrated…

Machine Learning · Computer Science 2025-06-04 Sean Current , Ziqi Chen , Daniel Adu-Ampratwum , Xia Ning , Srinivasan Parthasarathy

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

Protein is linked to almost every life process. Therefore, analyzing the biological structure and property of protein sequences is critical to the exploration of life, as well as disease detection and drug discovery. Traditional protein…

Machine Learning · Computer Science 2021-12-08 Yijia Xiao , Jiezhong Qiu , Ziang Li , Chang-Yu Hsieh , Jie Tang

The development of powerful natural language models have increased the ability to learn meaningful representations of protein sequences. In addition, advances in high-throughput mutagenesis, directed evolution, and next-generation…

Nature creates diverse proteins through a 'divide and assembly' strategy. Inspired by this idea, we introduce ProteinWeaver, a two-stage framework for protein backbone design. Our method first generates individual protein domains and then…

Biomolecules · Quantitative Biology 2024-11-28 Yiming Ma , Fei Ye , Yi Zhou , Zaixiang Zheng , Dongyu Xue , Quanquan Gu

In a convergence of machine learning and biology, we reveal that diffusion models are evolutionary algorithms. By considering evolution as a denoising process and reversed evolution as diffusion, we mathematically demonstrate that diffusion…

Neural and Evolutionary Computing · Computer Science 2026-05-12 Yanbo Zhang , Benedikt Hartl , Hananel Hazan , Michael Levin

Although recent speech processing technologies have achieved significant improvements in objective metrics, there still remains a gap in human perceptual quality. This paper proposes Diffiner, a novel solution that utilizes the powerful…

Audio and Speech Processing · Electrical Eng. & Systems 2026-02-11 Masato Hirano , Ryosuke Sawata , Naoki Murata , Shusuke Takahashi , Yuki Mitsufuji

Denoising diffusion models, a class of generative models, have garnered immense interest lately in various deep-learning problems. A diffusion probabilistic model defines a forward diffusion stage where the input data is gradually perturbed…

Image and Video Processing · Electrical Eng. & Systems 2023-06-06 Amirhossein Kazerouni , Ehsan Khodapanah Aghdam , Moein Heidari , Reza Azad , Mohsen Fayyaz , Ilker Hacihaliloglu , Dorit Merhof

Protein folding and design are major biophysical problems, the solution of which would lead to important applications especially in medicine. Here a novel protein model capable of simultaneously provide quantitative protein design and…

Biological Physics · Physics 2015-06-22 Ivan Coluzza

We present DiffusionBERT, a new generative masked language model based on discrete diffusion models. Diffusion models and many pre-trained language models have a shared training objective, i.e., denoising, making it possible to combine the…

Computation and Language · Computer Science 2022-12-02 Zhengfu He , Tianxiang Sun , Kuanning Wang , Xuanjing Huang , Xipeng Qiu

Employing a forward diffusion chain to gradually map the data to a noise distribution, diffusion-based generative models learn how to generate the data by inferring a reverse diffusion chain. However, this approach is slow and costly…

Machine Learning · Statistics 2023-09-08 Huangjie Zheng , Pengcheng He , Weizhu Chen , Mingyuan Zhou

Early detection through imaging and accurate diagnosis is crucial in mitigating the high mortality rate associated with breast cancer. However, locating tumors from low-resolution and high-noise medical images is extremely challenging.…

Image and Video Processing · Electrical Eng. & Systems 2024-10-24 Feiyan Feng , Tianyu Liu , Hong Wang , Jun Zhao , Wei Li , Yanshen Sun

Proteins are biomolecules of life. They fold into a great variety of three-dimensional (3D) shapes. Underlying these folding patterns are many recurrent structural fragments or building blocks (analogous to `LEGO bricks'). This paper…

Quantitative Methods · Quantitative Biology 2013-10-08 Arun S. Konagurthu , Arthur M. Lesk , David Abramson , Peter J. Stuckey , Lloyd Allison

Proteins play a pivotal role in biological systems. The use of machine learning algorithms for protein classification can assist and even guide biological experiments, offering crucial insights for biotechnological applications. We…

Quantitative Methods · Quantitative Biology 2024-10-24 Yizheng Wang , Yixiao Zhai , Yijie Ding , Quan Zou

Weakly supervised medical image segmentation (MIS) using generative models is crucial for clinical diagnosis. However, the accuracy of the segmentation results is often limited by insufficient supervision and the complex nature of medical…

Computer Vision and Pattern Recognition · Computer Science 2024-04-26 Zhihao Shuai , Yinan Chen , Shunqiang Mao , Yihan Zho , Xiaohong Zhang

Motivation: Protein embedding, which represents proteins as numerical vectors, is a crucial step in various learning-based protein annotation/classification problems, including gene ontology prediction, protein-protein interaction…

Genomics · Quantitative Biology 2024-05-21 Jiayu Shang , Cheng Peng , Yongxin Ji , Jiaojiao Guan , Dehan Cai , Xubo Tang , Yanni Sun