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RNA molecules are essential cellular machines performing a wide variety of functions for which a specific three-dimensional structure is required. Over the last several years, experimental determination of RNA structures through X-ray…

Biomolecules · Quantitative Biology 2015-06-11 Tristan Cragnolini , Philippe Derreumaux , Samuela Pasquali

Many recent exciting discoveries have revealed the versatility of RNAs and their importance in a variety of cellular functions which are strongly coupled to RNA structures. To understand the functions of RNAs, some structure prediction…

Biological Physics · Physics 2014-08-29 Ya-Zhou Shi , Yuan-Yan Wu , Feng-Hua Wang , Zhi-Jie Tan

Geometric deep learning has recently achieved great success in non-Euclidean domains, and learning on 3D structures of large biomolecules is emerging as a distinct research area. However, its efficacy is largely constrained due to the…

Machine Learning · Computer Science 2023-10-31 Fang Wu , Lirong Wu , Dragomir Radev , Jinbo Xu , Stan Z. Li

Structure-based drug design (SBDD) leverages the three-dimensional geometry of proteins to identify potential drug candidates. Traditional approaches, rooted in physicochemical modeling and domain expertise, are often resource-intensive.…

Quantitative Methods · Quantitative Biology 2024-11-19 Zaixi Zhang , Jiaxian Yan , Yining Huang , Qi Liu , Enhong Chen , Mengdi Wang , Marinka Zitnik

We propose and demonstrate a generative deep learning approach for the shape recognition of an arbitrary object from its acoustic scattering properties. The strategy exploits deep neural networks to learn the mapping between the latent…

Sound · Computer Science 2022-07-13 W. W. Ahmed , M. Farhat , P. -Y. Chen , X. Zhang , Y. Wu

3D meshes are fundamental data representations for capturing complex geometric shapes in computer vision and graphics applications. While Convolutional Neural Networks (CNNs) have excelled in structured data like images, extending them to…

Graphics · Computer Science 2025-07-09 Saqib Nazir , Olivier Lézoray , Sébastien Bougleux

We introduce a deep learning (DL) framework for inverse problems in imaging, and demonstrate the advantages and applicability of this approach in passive synthetic aperture radar (SAR) image reconstruction. We interpret image recon-…

Computer Vision and Pattern Recognition · Computer Science 2018-03-14 Bariscan Yonel , Eric Mason , Birsen Yazıcı

Many segmentation networks have been proposed for 3D volumetric segmentation of tumors and organs at risk. Hospitals and clinical institutions seek to accelerate and minimize the efforts of specialists in image segmentation. Still, in case…

Image and Video Processing · Electrical Eng. & Systems 2023-08-11 Sneha Sree C , Mohammad Al Fahim , Keerthi Ram , Mohanasankar Sivaprakasam

Designing protein sequences that fold into a target 3D structure, known as protein inverse folding, is a fundamental challenge in protein engineering. While recent deep learning methods have achieved impressive performance by recovering…

Biomolecules · Quantitative Biology 2025-06-03 Mengdi Liu , Xiaoxue Cheng , Zhangyang Gao , Hong Chang , Cheng Tan , Shiguang Shan , Xilin Chen

We propose a data-driven method for recovering miss-ing parts of 3D shapes. Our method is based on a new deep learning architecture consisting of two sub-networks: a global structure inference network and a local geometry refinement…

Computer Vision and Pattern Recognition · Computer Science 2017-09-26 Xiaoguang Han , Zhen Li , Haibin Huang , Evangelos Kalogerakis , Yizhou Yu

In addition to the forward inference of materials properties using machine learning, generative deep learning techniques applied on materials science allow the inverse design of materials, i.e., assessing the…

Materials Science · Physics 2024-10-01 Teng Long , Yixuan Zhang , Hongbin Zhang

We propose an end-to-end deep learning framework that comprehensively solves the inverse wave scattering problem across all length scales. Our framework consists of the newly introduced wide-band butterfly network coupled with a simple…

Numerical Analysis · Mathematics 2021-06-03 Matthew Li , Laurent Demanet , Leonardo Zepeda-Núñez

By folding into particular 3D structures, proteins play a key role in living beings. To learn meaningful representation from a protein structure for downstream tasks, not only the global backbone topology but the local fine-grained…

Biomolecules · Quantitative Biology 2025-02-05 Jiahan Li , Shitong Luo , Congyue Deng , Chaoran Cheng , Jiaqi Guan , Leonidas Guibas , Jian Peng , Jianzhu Ma

The problem of determining which nucleotides of an RNA sequence are paired or unpaired in the secondary structure of an RNA, which we call RNA state inference, can be studied by different machine learning techniques. Successful state…

Biomolecules · Quantitative Biology 2024-07-09 Devin Willmott , David Murrugarra , Qiang Ye

Anatomical trees play an important role in clinical diagnosis and treatment planning. Yet, accurately representing these structures poses significant challenges owing to their intricate and varied topology and geometry. Most existing…

Image and Video Processing · Electrical Eng. & Systems 2025-09-18 Paula Feldman , Miguel Fainstein , Viviana Siless , Claudio Delrieux , Emmanuel Iarussi

Deep learning has made significant progress in protein structure prediction, advancing the development of computational biology. However, despite the high accuracy achieved in predicting single-chain structures, a significant number of…

Biomolecules · Quantitative Biology 2024-03-08 Zhaoqun Li , Jingcheng Yu , Qiwei Ye

Designing RNA molecules has garnered recent interest in medicine, synthetic biology, biotechnology and bioinformatics since many functional RNA molecules were shown to be involved in regulatory processes for transcription, epigenetics and…

Machine Learning · Computer Science 2019-04-15 Frederic Runge , Danny Stoll , Stefan Falkner , Frank Hutter

The forward full-wave modeling of ground-penetrating radar (GPR) facilitates the understanding and interpretation of GPR data. Traditional forward solvers require excessive computational resources, especially when their repetitive…

Image and Video Processing · Electrical Eng. & Systems 2022-10-05 Qiqi Dai , Yee Hui Lee , Hai-Han Sun , Jiwei Qian , Genevieve Ow , Mohamed Lokman Mohd Yusof , Abdulkadir C. Yucel

The AlphaFold Protein Structure Database (AFDB) offers unparalleled structural coverage at near-experimental accuracy, positioning it as a valuable resource for data-driven protein design. However, its direct use in training deep models…

Machine Learning · Computer Science 2025-06-11 Cheng Tan , Zhenxiao Cao , Zhangyang Gao , Siyuan Li , Yufei Huang , Stan Z. Li

We propose a novel framework for training neural networks which is capable of learning 3D information of non-rigid objects when only 2D annotations are available as ground truths. Recently, there have been some approaches that incorporate…

Computer Vision and Pattern Recognition · Computer Science 2020-07-22 Sungheon Park , Minsik Lee , Nojun Kwak
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