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Designing novel protein sequences for a desired 3D topological fold is a fundamental yet non-trivial task in protein engineering. Challenges exist due to the complex sequence--fold relationship, as well as the difficulties to capture the…

Machine Learning · Computer Science 2021-06-25 Yue Cao , Payel Das , Vijil Chenthamarakshan , Pin-Yu Chen , Igor Melnyk , Yang Shen

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

Expressive text-to-speech systems have undergone significant advancements owing to prosody modeling, but conventional methods can still be improved. Traditional approaches have relied on the autoregressive method to predict the quantized…

Sound · Computer Science 2025-01-22 Hyung-Seok Oh , Sang-Hoon Lee , Seong-Whan Lee

The field of protein folding research has been greatly advanced by deep learning methods, with AlphaFold2 (AF2) demonstrating exceptional performance and atomic-level precision. As co-evolution is integral to protein structure prediction,…

Quantitative Methods · Quantitative Biology 2023-06-06 Le Zhang , Jiayang Chen , Tao Shen , Yu Li , Siqi Sun

Deep learning methods have impacted almost every research field, demonstrating notable successes in medical imaging tasks such as denoising and super-resolution. However, the prerequisite for deep learning is data at scale, but data sharing…

Medical Physics · Physics 2024-02-16 Yongyi Shi , Wenjun Xia , Chuang Niu , Christopher Wiedeman , Ge Wang

Diffusion models have become a central tool in deep generative modeling, but standard formulations rely on a single network and a single diffusion schedule to transform a simple prior, typically a standard normal distribution, into the…

Machine Learning · Statistics 2025-12-29 Takuro Kutsuna

Generative models for de novo protein backbone design have achieved remarkable success in creating novel protein structures. However, these diffusion-based approaches remain computationally intensive and slower than desired for large-scale…

Machine Learning · Computer Science 2026-02-09 Shentong Mo , Lanqing Li

This work introduces the generative fractional diffusion model for protein generation (ProT-GFDM), a novel generative framework that employs fractional stochastic dynamics for protein backbone structure modeling. This approach builds on the…

Quantitative Methods · Quantitative Biology 2025-05-01 Xiao Liang , Wentao Ma , Eric Paquet , Herna Lydia Viktor , Wojtek Michalowski

In single-cell research, tracing and analyzing high-throughput single-cell differentiation trajectories is crucial for understanding biological processes. Key to this is the robust modeling of hierarchical structures that govern cellular…

Machine Learning · Computer Science 2026-05-19 Zelin Zang , WenZhe Li , Yongjie Xu , Chang Yu , Changxi Chi , Jingbo Zhou , Zhen Lei , Stan Z. Li

AI-based protein structure prediction pipelines, such as AlphaFold2, have achieved near-experimental accuracy. These advanced pipelines mainly rely on Multiple Sequence Alignments (MSAs) as inputs to learn the co-evolution information from…

Biomolecules · Quantitative Biology 2023-10-19 Xiaomin Fang , Fan Wang , Lihang Liu , Jingzhou He , Dayong Lin , Yingfei Xiang , Xiaonan Zhang , Hua Wu , Hui Li , Le Song

Generating desirable molecular structures in 3D is a fundamental problem for drug discovery. Despite the considerable progress we have achieved, existing methods usually generate molecules in atom resolution and ignore intrinsic local…

Biomolecules · Quantitative Biology 2023-05-29 Bo Qiang , Yuxuan Song , Minkai Xu , Jingjing Gong , Bowen Gao , Hao Zhou , Weiying Ma , Yanyan Lan

The task of steel surface defect recognition is an industrial problem with great industry values. The data insufficiency is the major challenge in training a robust defect recognition network. Existing methods have investigated to enlarge…

Computer Vision and Pattern Recognition · Computer Science 2024-05-06 Yichun Tai , Kun Yang , Tao Peng , Zhenzhen Huang , Zhijiang Zhang

AI-assisted protein design has emerged as a critical tool for advancing biotechnology, as deep generative models have demonstrated their reliability in this domain. However, most existing models primarily utilize protein sequence or…

Computational Engineering, Finance, and Science · Computer Science 2026-05-27 Changjian Zhou , Yuexi Qiu , Jia Song

Diffusion models offer a powerful means of capturing the manifold of realistic protein structures, enabling rapid design for protein engineering tasks. However, existing approaches observe critical failure modes when precise constraints are…

Biomolecules · Quantitative Biology 2026-03-27 Jacob K. Christopher , Austin Seamann , Jingyi Cui , Sagar Khare , Ferdinando Fioretto

Accurate segmentation of rectal lymph nodes is crucial for the staging and treatment planning of rectal cancer. However, the complexity of the surrounding anatomical structures and the scarcity of annotated data pose significant challenges.…

Image and Video Processing · Electrical Eng. & Systems 2024-08-28 Weidong Guo , Hantao Zhang , Shouhong Wan , Bingbing Zou , Wanqin Wang , Peiquan Jin

Generative models have recently advanced $\textit{de novo}$ protein design by learning the statistical regularities of natural structures. However, current approaches face three key limitations: (1) Existing methods cannot jointly learn…

Machine Learning · Computer Science 2026-03-09 Zhanghan Ni , Yanjing Li , Zeju Qiu , Bernhard Schölkopf , Hongyu Guo , Weiyang Liu , Shengchao Liu

Design generation, in its essence, is a step-by-step process where designers progressively refine and enhance their work through careful modifications. Despite this fundamental characteristic, existing approaches mainly treat design…

Computer Vision and Pattern Recognition · Computer Science 2025-12-04 Faizan Farooq Khan , K J Joseph , Koustava Goswami , Mohamed Elhoseiny , Balaji Vasan Srinivasan

Predicting protein secondary structure is a fundamental problem in protein structure prediction. Here we present a new supervised generative stochastic network (GSN) based method to predict local secondary structure with deep hierarchical…

Quantitative Methods · Quantitative Biology 2014-03-07 Jian Zhou , Olga G. Troyanskaya

Mesh generation is of great value in various applications involving computer graphics and virtual content, yet designing generative models for meshes is challenging due to their irregular data structure and inconsistent topology of meshes…

Computer Vision and Pattern Recognition · Computer Science 2023-03-16 Zhaoyang Lyu , Jinyi Wang , Yuwei An , Ya Zhang , Dahua Lin , Bo Dai

While diffusion-based generative models have made significant strides in visual content creation, conventional approaches face computational challenges, especially for high-resolution images, as they denoise the entire image from noisy…

Computer Vision and Pattern Recognition · Computer Science 2025-07-01 Haohang Xu , Longyu Chen , Yichen Zhang , Shuangrui Ding , Zhipeng Zhang