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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

Protein inverse folding is a fundamental problem in bioinformatics, aiming to recover the amino acid sequences from a given protein backbone structure. Despite the success of existing methods, they struggle to fully capture the intricate…

Machine Learning · Computer Science 2024-12-13 Chenglin Wang , Yucheng Zhou , Zijie Zhai , Jianbing Shen , Kai Zhang

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

Inverse protein folding, the process of designing sequences that fold into a specific 3D structure, is crucial in bio-engineering and drug discovery. Traditional methods rely on experimentally resolved structures, but these cover only a…

Biomolecules · Quantitative Biology 2023-11-27 Igor Melnyk , Aurelie Lozano , Payel Das , Vijil Chenthamarakshan

Inverse protein folding is challenging due to its inherent one-to-many mapping characteristic, where numerous possible amino acid sequences can fold into a single, identical protein backbone. This task involves not only identifying viable…

Quantitative Methods · Quantitative Biology 2023-11-08 Kai Yi , Bingxin Zhou , Yiqing Shen , Pietro Liò , Yu Guang Wang

Protein inverse folding-that is, predicting an amino acid sequence that will fold into the desired 3D structure-is an important problem for structure-based protein design. Machine learning based methods for inverse folding typically use…

Artificial Intelligence · Computer Science 2024-10-23 Yasha Ektefaie , Olivia Viessmann , Siddharth Narayanan , Drew Dresser , J. Mark Kim , Armen Mkrtchyan

Designing protein sequences that fold into a target 3-D structure, termed as the inverse folding problem, is central to protein engineering. However, it remains challenging due to the vast sequence space and the importance of local…

Quantitative Methods · Quantitative Biology 2026-03-17 Sazan Mahbub , Souvik Kundu , Eric P. Xing

Generating protein sequences that fold into a intended 3D structure is a fundamental step in de novo protein design. De facto methods utilize autoregressive generation, but this eschews higher order interactions that could be exploited to…

Biomolecules · Quantitative Biology 2023-12-06 John J. Yang , Jason Yim , Regina Barzilay , Tommi Jaakkola

Designing protein-binding proteins with high affinity is critical in biomedical research and biotechnology. Despite recent advancements targeting specific proteins, the ability to create high-affinity binders for arbitrary protein targets…

Machine Learning · Computer Science 2025-11-03 Zhenqiao Song , Tiaoxiao Li , Lei Li , Martin Renqiang Min

The recent emergence of diffusion models has significantly advanced the precision of learnable priors, presenting innovative avenues for addressing inverse problems. Since inverse problems inherently entail maximum a posteriori estimation,…

Machine Learning · Computer Science 2025-01-22 Jiawei Zhang , Jiaxin Zhuang , Cheng Jin , Gen Li , Yuantao Gu

Discrete diffusion models generate sequences by iteratively denoising samples corrupted by categorical noise, offering an appealing alternative to autoregressive decoding for structured and symbolic generation. However, standard training…

Machine Learning · Computer Science 2026-02-04 Huu Binh Ta , Michael Cardei , Alvaro Velasquez , Ferdinando Fioretto

Antibodies are essential proteins responsible for immune responses in organisms, capable of specifically recognizing antigen molecules of pathogens. Recent advances in generative models have significantly enhanced rational antibody design.…

Artificial Intelligence · Computer Science 2025-11-10 Zichen Wang , Yaokun Ji , Jianing Tian , Shuangjia Zheng

Due to the high complexity and technical requirements of industrial production processes, surface defects will inevitably appear, which seriously affects the quality of products. Although existing lightweight detection networks are highly…

Computer Vision and Pattern Recognition · Computer Science 2024-08-27 Xuyi Yu

RNA design shows growing applications in synthetic biology and therapeutics, driven by the crucial role of RNA in various biological processes. A fundamental challenge is to find functional RNA sequences that satisfy given structural…

Biomolecules · Quantitative Biology 2024-04-18 Han Huang , Ziqian Lin , Dongchen He , Liang Hong , Yu Li

Many interesting tasks in image restoration can be cast as linear inverse problems. A recent family of approaches for solving these problems uses stochastic algorithms that sample from the posterior distribution of natural images given the…

Image and Video Processing · Electrical Eng. & Systems 2022-10-14 Bahjat Kawar , Michael Elad , Stefano Ermon , Jiaming Song

Text-to-image diffusion models have achieved remarkable fidelity in synthesizing images from explicit text prompts, yet exhibit a critical deficiency in processing implicit prompts that require deep-level world knowledge, ranging from…

Computer Vision and Pattern Recognition · Computer Science 2026-03-24 Xiefan Guo , Xinzhu Ma , Haoxiang Ma , Zihao Zhou , Di Huang

Recently, diffusion-based blind super-resolution (SR) methods have shown great ability to generate high-resolution images with abundant high-frequency detail, but the detail is often achieved at the expense of fidelity. Meanwhile, another…

Image and Video Processing · Electrical Eng. & Systems 2025-12-02 Shao-Hao Lu , Ren Wang , Ching-Chun Huang , Wei-Chen Chiu

Understanding how proteins structurally interact is crucial to modern biology, with applications in drug discovery and protein design. Recent machine learning methods have formulated protein-small molecule docking as a generative problem…

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

3D human motion generation is crucial for creative industry. Recent advances rely on generative models with domain knowledge for text-driven motion generation, leading to substantial progress in capturing common motions. However, the…

Computer Vision and Pattern Recognition · Computer Science 2023-04-04 Mingyuan Zhang , Xinying Guo , Liang Pan , Zhongang Cai , Fangzhou Hong , Huirong Li , Lei Yang , Ziwei Liu
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