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Proteins are macromolecules responsible for essential functions in almost all living organisms. Designing reasonable proteins with desired functions is crucial. A protein's sequence and structure are strongly correlated and they together…

Machine Learning · Computer Science 2024-01-10 Zhenqiao Song , Yunlong Zhao , Wenxian Shi , Yang Yang , Lei Li

Segment Anything Model (SAM) has received remarkable attention as it offers a powerful and versatile solution for object segmentation in images. However, fine-tuning SAM for downstream segmentation tasks under different scenarios remains a…

Computer Vision and Pattern Recognition · Computer Science 2023-12-19 Zelin Peng , Zhengqin Xu , Zhilin Zeng , Xiaokang Yang , Wei Shen

Coarse-graining is a powerful tool for extending the reach of dynamic models of proteins and other biological macromolecules. Topological coarse-graining, in which biomolecules or sets thereof are represented via graph structures, is a…

Biomolecules · Quantitative Biology 2021-09-15 Vy Duong , Elizabeth Diessner , Gianmarc Grazioli , Rachel W. Martin , Carter T. Butts

Proteins are fundamental biological entities that play a key role in life activities. The amino acid sequences of proteins can be folded into stable 3D structures in the real physicochemical world, forming a special kind of…

Machine Learning · Computer Science 2023-01-04 Lirong Wu , Yufei Huang , Haitao Lin , Stan Z. Li

There has been a lot of recent interest in designing neural network models to estimate a distribution from a set of examples. We introduce a simple modification for autoencoder neural networks that yields powerful generative models. Our…

Machine Learning · Computer Science 2015-06-08 Mathieu Germain , Karol Gregor , Iain Murray , Hugo Larochelle

We propose a hierarchical protein backbone generative model that separates coarse and fine-grained details. Our approach called LSD consists of two stages: sampling latents which are decoded into a contact map then sampling atomic…

Quantitative Methods · Quantitative Biology 2025-04-15 Jason Yim , Marouane Jaakik , Ge Liu , Jacob Gershon , Karsten Kreis , David Baker , Regina Barzilay , Tommi Jaakkola

Autoregressive (AR) modeling has achieved remarkable success in natural language processing by enabling models to generate text with coherence and contextual understanding through next token prediction. Recently, in image generation, VAR…

Computer Vision and Pattern Recognition · Computer Science 2024-12-20 Sucheng Ren , Qihang Yu , Ju He , Xiaohui Shen , Alan Yuille , Liang-Chieh Chen

Protein structure prediction is a critical and longstanding challenge in biology, garnering widespread interest due to its significance in understanding biological processes. A particular area of focus is the prediction of missing loops in…

Autoregressive (AR) models remain widely used in time series analysis due to their interpretability, but convencional parameter estimation methods can be computationally expensive and prone to convergence issues. This paper proposes a…

Machine Learning · Statistics 2026-03-20 Anaísa Lucena , Ana Martins , Armando J. Pinho , Sónia Gouveia

This paper challenges the dominance of continuous pipelines in visual generation. We systematically investigate the performance gap between discrete and continuous methods. Contrary to the belief that discrete tokenizers are intrinsically…

Computer Vision and Pattern Recognition · Computer Science 2026-02-10 Qihang Yu , Qihao Liu , Ju He , Xinyang Zhang , Yang Liu , Liang-Chieh Chen , Xi Chen

Causal structure learning, also known as causal discovery, aims to estimate causal relationships between variables as a form of a causal directed acyclic graph (DAG) from observational data. One of the major frameworks is the order-based…

Machine Learning · Statistics 2026-02-18 Kentaro Kanamori , Hirofumi Suzuki , Takuya Takagi

We propose a multiscale approach to time series autoregression, in which linear regressors for the process in question include features of its own path that live on multiple timescales. We take these multiscale features to be the recent…

Methodology · Statistics 2024-12-17 Rafal Baranowski , Yining Chen , Piotr Fryzlewicz

This paper presents a deep architecture for dense semantic correspondence, called pyramidal affine regression networks (PARN), that estimates locally-varying affine transformation fields across images. To deal with intra-class appearance…

Computer Vision and Pattern Recognition · Computer Science 2018-08-02 Sangryul Jeon , Seungryong Kim , Dongbo Min , Kwanghoon Sohn

Vector autoregressive (VAR) models are popularly adopted for modelling high-dimensional time series, and their piecewise extensions allow for structural changes in the data. In VAR modelling, the number of parameters grow quadratically with…

Methodology · Statistics 2023-01-23 Haeran Cho , Hyeyoung Maeng , Idris A. Eckley , Paul Fearnhead

A fundamental challenge in protein design is the trade-off between generating structural diversity while preserving motif biological function. Current state-of-the-art methods, such as partial diffusion in RFdiffusion, often fail to resolve…

Quantitative Methods · Quantitative Biology 2025-10-22 Kevin Michalewicz , Chen Jin , Philip Alexander Teare , Tom Diethe , Mauricio Barahona , Barbara Bravi , Asher Mullokandov

We introduce a generative model for protein backbone design utilizing geometric products and higher order message passing. In particular, we propose Clifford Frame Attention (CFA), an extension of the invariant point attention (IPA)…

Machine Learning · Computer Science 2024-11-11 Simon Wagner , Leif Seute , Vsevolod Viliuga , Nicolas Wolf , Frauke Gräter , Jan Stühmer

Protein structure prediction is pivotal for understanding the structure-function relationship of proteins, advancing biological research, and facilitating pharmaceutical development and experimental design. While deep learning methods and…

Machine Learning · Computer Science 2024-12-30 Kaihui Cheng , Ce Liu , Qingkun Su , Jun Wang , Liwei Zhang , Yining Tang , Yao Yao , Siyu Zhu , Yuan Qi

Existing All-in-One image restoration methods often fail to perceive degradation types and severity levels simultaneously, overlooking the importance of fine-grained quality perception. Moreover, these methods often utilize highly…

Computer Vision and Pattern Recognition · Computer Science 2025-05-09 Xu Zhang , Jiaqi Ma , Guoli Wang , Qian Zhang , Huan Zhang , Lefei Zhang

Protein generative models have shown remarkable promise in protein design, yet their success rates remain constrained by reliance on curated sequence-structure datasets and by misalignment between supervised objectives and real design…

Machine Learning · Computer Science 2026-03-03 Ziwen Wang , Jiajun Fan , Ruihan Guo , Thao Nguyen , Heng Ji , Ge Liu

Autoregressive (AR) models offer stable and efficient training, but standard next-token prediction is not well aligned with the temporal structure required for text-conditioned motion generation. We introduce MoScale, a next-scale AR…

Computer Vision and Pattern Recognition · Computer Science 2026-05-28 Zhiwei Zheng , Shibo Jin , Lingjie Liu , Mingmin Zhao
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