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Autoregressive (AR) modeling has recently emerged as a promising new paradigm in visual generation, but its practical adoption is severely constrained by the slow inference speed of per-token generation, which often requires thousands of…

Computer Vision and Pattern Recognition · Computer Science 2026-05-06 Junhyuk So , Hyunho Kook , Chaeyeon Jang , Eunhyeok Park

We consider unsupervised cell nuclei segmentation in this paper. Exploiting the recently-proposed unpaired image-to-image translation between cell nuclei images and randomly synthetic masks, existing approaches, e.g., CycleGAN, have…

Image and Video Processing · Electrical Eng. & Systems 2022-03-11 Kai Yao , Kaizhu Huang , Jie Sun , Curran Jude

Antibody therapeutics are among the most successful modern medicines, yet computationally designing antibodies with desirable binding and developability properties remains challenging. While protein language models (pLMs) have emerged as…

Machine Learning · Computer Science 2026-05-11 Justin Sanders , Luca Giancardo , Lan Guo , Yue Zhao , Kemal Sonmez , Nina Cheng , Melih Yilmaz

Recent deep learning approaches seek to automate CAD creation by representing a model as a sequence of discrete commands and parameters, and then generating them using autoregressive models or continuous diffusion operating in Euclidean…

Computer Vision and Pattern Recognition · Computer Science 2026-05-07 Honghu Pan , Xiaoling Luo , Yongyong Chen , Zhenyu He , Pengyang Wang

Currently, the field of structure-based drug design is dominated by three main types of algorithms: search-based algorithms, deep generative models, and reinforcement learning. While existing works have typically focused on comparing models…

Machine Learning · Computer Science 2026-01-22 Kangyu Zheng , Kai Zhang , Jiale Tan , Xuehan Chen , Yingzhou Lu , Zaixi Zhang , Lichao Sun , Marinka Zitnik , Tianfan Fu , Zhiding Liang

Generating high-quality synthetic time series is a fundamental yet challenging task across domains such as forecasting and anomaly detection, where real data can be scarce, noisy, or costly to collect. Unlike static data generation,…

Machine Learning · Computer Science 2025-09-25 MohammadReza EskandariNasab , Shah Muhammad Hamdi , Soukaina Filali Boubrahimi

Proteins perform critical processes in all living systems: converting solar energy into chemical energy, replicating DNA, as the basis of highly performant materials, sensing and much more. While an incredible range of functionality has…

Biomolecules · Quantitative Biology 2021-09-29 Leonardo V. Castorina , Rokas Petrenas , Kartic Subr , Christopher W. Wood

Antibodies are proteins produced by the immune system that recognize and bind to specific antigens, and their 3D structures are crucial for understanding their binding mechanism and designing therapeutic interventions. The specificity of…

Machine Learning · Computer Science 2024-10-23 Jiying Zhang , Zijing Liu , Shengyuan Bai , He Cao , Yu Li , Lei Zhang

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

Abstract Recent advances in immunology and synthetic biology have accelerated the development of deep generative methods for DNA sequence design. Two dominant approaches in this field are AutoRegressive (AR) models and Diffusion Models…

Genomics · Quantitative Biology 2024-10-30 Zehui Li , Yuhao Ni , Guoxuan Xia , William Beardall , Akashaditya Das , Guy-Bart Stan , Yiren Zhao

Time series anomaly detection holds notable importance for risk identification and fault detection across diverse application domains. Unsupervised learning methods have become popular because they have no requirement for labels. However,…

Machine Learning · Computer Science 2025-05-05 Wenxin Zhang , Xiaojian Lin , Wenjun Yu , Guangzhen Yao , jingxiang Zhong , Yu Li , Renda Han , Songcheng Xu , Hao Shi , Cuicui Luo

We present a novel approach to image manipulation and understanding by simultaneously learning to segment object masks, paste objects to another background image, and remove them from original images. For this purpose, we develop a novel…

Computer Vision and Pattern Recognition · Computer Science 2019-01-17 Pavel Ostyakov , Roman Suvorov , Elizaveta Logacheva , Oleg Khomenko , Sergey I. Nikolenko

Generative modeling has become a central paradigm in protein research, extending machine learning beyond structure prediction toward sequence design, backbone generation, inverse folding, and biomolecular interaction modeling. However, the…

Machine Learning · Computer Science 2026-03-30 Senura Hansaja Wanasekara , Minh-Duong Nguyen , Xiaochen Liu , Nguyen H. Tran , Ken-Tye Yong

The architecture of a neural network (NN) plays a critical role in determining its performance. However, there is no general closed-form function that maps between network structure and accuracy, making the process of architecture design…

Machine Learning · Computer Science 2025-07-29 Jinwook Hong

Masked diffusion models (MDMs) have emerged as a promising approach for language modeling, yet they face a performance gap compared to autoregressive models (ARMs) and require more training iterations. In this work, we present the…

Machine Learning · Computer Science 2026-01-26 Mahdi Karami , Ali Ghodsi

Deep generative models have been applied with increasing success to the generation of two dimensional molecules as SMILES strings and molecular graphs. In this work we describe for the first time a deep generative model that can generate 3D…

Chemical Physics · Physics 2020-11-24 Tomohide Masuda , Matthew Ragoza , David Ryan Koes

Dual-target therapeutic strategies have become a compelling approach and attracted significant attention due to various benefits, such as their potential in overcoming drug resistance in cancer therapy. Considering the tremendous success…

Machine Learning · Computer Science 2024-11-27 Xiangxin Zhou , Jiaqi Guan , Yijia Zhang , Xingang Peng , Liang Wang , Jianzhu Ma

Therapeutic antibodies are an essential and rapidly expanding drug modality. The binding specificity between antibodies and antigens is decided by complementarity-determining regions (CDRs) at the tips of these Y-shaped proteins. In this…

Biomolecules · Quantitative Biology 2023-11-29 Fang Wu , Stan Z. Li

Computer-Aided Design (CAD) generative modeling is driving significant innovations across industrial applications. Recent works have shown remarkable progress in creating solid models from various inputs such as point clouds, meshes, and…

Computer Vision and Pattern Recognition · Computer Science 2025-09-12 Feiwei Qin , Shichao Lu , Junhao Hou , Changmiao Wang , Meie Fang , Ligang Liu

Automatic diagnosis (AD), a critical application of AI in healthcare, employs machine learning techniques to assist doctors in gathering patient symptom information for precise disease diagnosis. The Transformer-based method utilizes an…

Computation and Language · Computer Science 2023-07-18 Huimin Wang , Wai-Chung Kwan , Kam-Fai Wong , Yefeng Zheng
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