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Recent advancements in protein design have leveraged diffusion models to generate structural scaffolds, followed by a process known as protein inverse folding, which involves sequence inference on these scaffolds. However, these…

生物大分子 · 定量生物学 2025-02-27 Xingyi Zhang , Kun Xie , Ningqiao Huang , Wei Liu , Peilin Zhao , Sibo Wang , Kangfei Zhao , Biaobin Jiang

Antibody-drug conjugate (ADC) has revolutionized the field of cancer treatment in the era of precision medicine due to their ability to precisely target cancer cells and release highly effective drug. Nevertheless, the realization of…

机器学习 · 计算机科学 2024-01-18 Liye Chen , Biaoshun Li , Yihao Chen , Mujie Lin , Shipeng Zhang , Chenxin Li , Yu Pang , Ling Wang

AlphaFold can be used for both single-chain and multi-chain protein structure prediction, while the latter becomes extremely challenging as the number of chains increases. In this work, by taking each chain as a node and assembly actions as…

计算工程、金融与科学 · 计算机科学 2024-05-08 Ziqi Gao , Tao Feng , Jiaxuan You , Chenyi Zi , Yan Zhou , Chen Zhang , Jia Li

While deep neural networks have achieved remarkable success in various computer vision tasks, they often fail to generalize to new domains and subtle variations of input images. Several defenses have been proposed to improve the robustness…

计算机视觉与模式识别 · 计算机科学 2021-09-08 Omid Poursaeed , Tianxing Jiang , Harry Yang , Serge Belongie , SerNam Lim

Cross-domain recommendation (CDR) aims to alleviate the data sparsity by transferring knowledge across domains. Disentangled representation learning provides an effective solution to model complex user preferences by separating intra-domain…

信息检索 · 计算机科学 2025-07-24 Yuhan Wang , Qing Xie , Zhifeng Bao , Mengzi Tang , Lin Li , Yongjian Liu

Antibodies comprise the most versatile class of binding molecules, with numerous applications in biomedicine. Computational design of antibodies involves generating novel and diverse sequences, while maintaining structural consistency.…

生物大分子 · 定量生物学 2023-06-21 Igor Melnyk , Vijil Chenthamarakshan , Pin-Yu Chen , Payel Das , Amit Dhurandhar , Inkit Padhi , Devleena Das

The design and optimization of antibodies requires an intricate balance across multiple properties. Protein inverse folding models, capable of generating diverse sequences folding into the same structure, are promising tools for maintaining…

An adversarial example is a modified input image designed to cause a Machine Learning (ML) model to make a mistake; these perturbations are often invisible or subtle to human observers and highlight vulnerabilities in a model's ability to…

密码学与安全 · 计算机科学 2024-11-04 Ehsan Ganjidoost , Jeff Orchard

Antibody design remains a critical challenge in therapeutic and diagnostic development, particularly for complex antigens with diverse binding interfaces. Current computational methods face two main limitations: (1) capturing geometric…

机器学习 · 计算机科学 2025-06-27 Jiameng Chen , Xiantao Cai , Jia Wu , Wenbin Hu

Deep learning models for semantic segmentation often experience performance degradation when deployed to unseen target domains unidentified during the training phase. This is mainly due to variations in image texture (\ie style) from…

计算机视觉与模式识别 · 计算机科学 2024-03-12 Woo-Jin Ahn , Geun-Yeong Yang , Hyun-Duck Choi , Myo-Taeg Lim

In recent times, many of the breakthroughs in various vision-related tasks have revolved around improving learning of deep models; these methods have ranged from network architectural improvements such as Residual Networks, to various forms…

机器学习 · 统计学 2018-05-15 Yan Zuo , Gil Avraham , Tom Drummond

Engineering design tasks often require synthesizing new designs that meet desired performance requirements. The conventional design process, which requires iterative optimization and performance evaluation, is slow and dependent on initial…

机器学习 · 计算机科学 2021-06-08 Amin Heyrani Nobari , Wei Chen , Faez Ahmed

Recent methods for conditional image generation benefit from dense supervision such as segmentation label maps to achieve high-fidelity. However, it is rarely explored to employ dense supervision for unconditional image generation. Here we…

计算机视觉与模式识别 · 计算机科学 2022-07-28 Gayoung Lee , Hyunsu Kim , Junho Kim , Seonghyeon Kim , Jung-Woo Ha , Yunjey Choi

Generative Adversarial Networks (GAN) are trained to generate sample images of interest distribution. To this end, generator network of GAN learns implicit distribution of real data set from the classification with candidate generated…

机器学习 · 计算机科学 2020-11-17 Gahye Lee , Seungkyu Lee

Pre-trained models have achieved remarkable success in natural language processing (NLP). However, existing pre-training methods underutilize the benefits of language understanding for generation. Inspired by the idea of Generative…

计算与语言 · 计算机科学 2023-05-10 Jian Yang , Shuming Ma , Li Dong , Shaohan Huang , Haoyang Huang , Yuwei Yin , Dongdong Zhang , Liqun Yang , Furu Wei , Zhoujun Li

Therapeutic antibodies have been extensively studied in drug discovery and development in the past decades. Antibodies are specialized protective proteins that bind to antigens in a lock-to-key manner. The binding strength/affinity between…

机器学习 · 计算机科学 2024-06-21 Bohao Xu , Yanbo Wang , Wenyu Chen , Shimin Shan

Antibodies are Y-shaped proteins that protect the host by binding to specific antigens, and their binding is mainly determined by the Complementary Determining Regions (CDRs) in the antibody. Despite the great progress made in CDR design,…

定量方法 · 定量生物学 2025-01-03 Lirong Wu , Haitao Lin , Yufei Huang , Zhangyang Gao , Cheng Tan , Yunfan Liu , Tailin Wu , Stan Z. Li

Blind face restoration (BFR) from severely degraded face images in the wild is a very challenging problem. Due to the high illness of the problem and the complex unknown degradation, directly training a deep neural network (DNN) usually…

计算机视觉与模式识别 · 计算机科学 2021-05-14 Tao Yang , Peiran Ren , Xuansong Xie , Lei Zhang

Adversarial examples reveal critical vulnerabilities in deep neural networks by exploiting their sensitivity to imperceptible input perturbations. While adversarial training remains the predominant defense strategy, it often incurs…

机器学习 · 计算机科学 2025-11-04 Longwei Wang , Ifrat Ikhtear Uddin , KC Santosh , Chaowei Zhang , Xiao Qin , Yang Zhou

Auto-encoding generative adversarial networks (GANs) combine the standard GAN algorithm, which discriminates between real and model-generated data, with a reconstruction loss given by an auto-encoder. Such models aim to prevent mode…

机器学习 · 统计学 2017-10-24 Mihaela Rosca , Balaji Lakshminarayanan , David Warde-Farley , Shakir Mohamed