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In recent years, deep learning has gained increasing popularity in the fields of Partial Differential Equations (PDEs) and Reduced Order Modeling (ROM), providing domain practitioners with new powerful data-driven techniques such as…

数值分析 · 数学 2024-06-25 Nicola Rares Franco , Simone Brugiapaglia

Enzyme engineering enables the modification of wild-type proteins to meet industrial and research demands by enhancing catalytic activity, stability, binding affinities, and other properties. The emergence of deep learning methods for…

计算与语言 · 计算机科学 2024-10-29 Yang Tan , Ruilin Wang , Banghao Wu , Liang Hong , Bingxin Zhou

Cryo-electron microscopy (cryo-EM) is a powerful technique for determining high-resolution 3D biomolecular structures from imaging data. Its unique ability to capture structural variability has spurred the development of heterogeneous…

计算机视觉与模式识别 · 计算机科学 2025-01-17 Minkyu Jeon , Rishwanth Raghu , Miro Astore , Geoffrey Woollard , Ryan Feathers , Alkin Kaz , Sonya M. Hanson , Pilar Cossio , Ellen D. Zhong

Histopathology plays a pivotal role in medical diagnostics. In contrast to preparing permanent sections for histopathology, a time-consuming process, preparing frozen sections is significantly faster and can be performed during surgery,…

图像与视频处理 · 电气工程与系统科学 2023-10-18 Elad Yoshai , Gil Goldinger , Miki Haifler , Natan T. Shaked

Many imaging modalities involve reconstruction of unknown objects from collections of noisy projections related by random rotations. In one of these modalities, cryogenic electron microscopy (cryo-EM), the extremely low signal-to-noise…

图像与视频处理 · 电气工程与系统科学 2025-10-16 Joakim Andén , Justus Sagemüller

Background and Aim: Over-fitting issue has been the reason behind deep learning technology not being successfully implemented in oral cancer images classification. The aims of this research were reducing overfitting for accurately producing…

图像与视频处理 · 电气工程与系统科学 2022-08-17 Prakrit Joshi , Omar Hisham Alsadoon , Abeer Alsadoon , Nada AlSallami , Tarik A. Rashid , P. W. C. Prasad , Sami Haddad

Gene expression profiles have been widely used to characterize patterns of cellular responses to diseases. As data becomes available, scalable learning toolkits become essential to processing large datasets using deep learning models to…

机器学习 · 计算机科学 2019-02-01 Ya Ju Fan , Jonathan E. Allen , Sam Ade Jacobs , Brian C. Van Essen

The rapid progress of generative models has intensified the need for reliable and robust detection under real-world conditions. However, existing detectors often overfit to generator-specific artifacts and remain highly sensitive to…

计算机视觉与模式识别 · 计算机科学 2025-12-25 Ruiqi Liu , Yi Han , Zhengbo Zhang , Liwei Yao , Zhiyuan Yan , Jialiang Shen , ZhiJin Chen , Boyi Sun , Lubin Weng , Jing Dong , Yan Wang , Shu Wu

We introduce ProteinWorkshop, a comprehensive benchmark suite for representation learning on protein structures with Geometric Graph Neural Networks. We consider large-scale pre-training and downstream tasks on both experimental and…

AlphaFold 3 represents a transformative advancement in computational biology, enhancing protein structure prediction through novel multi-scale transformer architectures, biologically informed cross-attention mechanisms, and geometry-aware…

生物大分子 · 定量生物学 2025-08-27 Alireza Abbaszadeh , Armita Shahlaee

Neuron segmentation in electron microscopy (EM) aims to reconstruct the complete neuronal connectome; however, current deep learning-based methods are limited by their reliance on large-scale training data and extensive, time-consuming…

计算机视觉与模式识别 · 计算机科学 2026-01-23 Liuyun Jiang , Yanchao Zhang , Jinyue Guo , Yizhuo Lu , Ruining Zhou , Hua Han

While DeepMind has tentatively solved protein folding, its inverse problem -- protein design which predicts protein sequences from their 3D structures -- still faces significant challenges. Particularly, the lack of large-scale standardized…

定量方法 · 定量生物学 2022-02-15 Zhangyang Gao , Cheng Tan , Stan Z. Li

The binding complexes formed by proteins and small molecule ligands are ubiquitous and critical to life. Despite recent advancements in protein structure prediction, existing algorithms are so far unable to systematically predict the…

定量方法 · 定量生物学 2023-04-21 Zhuoran Qiao , Weili Nie , Arash Vahdat , Thomas F. Miller , Anima Anandkumar

Cellular Electron Cryo-Tomography (CECT) is a powerful imaging technique for the 3D visualization of cellular structure and organization at submolecular resolution. It enables analyzing the native structures of macromolecular complexes and…

定量方法 · 定量生物学 2018-05-16 Chang Liu , Xiangrui Zeng , Ruogu Lin , Xiaodan Liang , Zachary Freyberg , Eric Xing , Min Xu

Determining the chemical structure for a single molecule on surface from spectroscopic data represents a challenging high-dimensional inverse problem. Tip-enhanced Raman spectroscopy (TERS) enables chemically specific imaging of single…

化学物理 · 物理学 2026-03-24 Jie Cui , Yao Zhang , Yang Zhang , Yi Luo , Zhen-Chao Dong

Cryo-electron microscopy (cryo-EM) is a powerful technique for determining the structure of proteins and other macromolecular complexes at near-atomic resolution. In single particle cryo-EM, the central problem is to reconstruct the…

定量方法 · 定量生物学 2020-02-18 Ellen D. Zhong , Tristan Bepler , Joseph H. Davis , Bonnie Berger

Electroencephalography (EEG) foundation models hold significant promise for universal Brain-Computer Interfaces (BCIs). However, existing approaches often rely on end-to-end fine-tuning and exhibit limited efficacy under frozen-probing…

机器学习 · 计算机科学 2026-03-20 Jiquan Wang , Sha Zhao , Yangxuan Zhou , Yiming Kang , Shijian Li , Gang Pan

Cryo-Electron Tomography (cryo-ET) is a 3D imaging technology that enables the visualization of subcellular structures in situ at near-atomic resolution. Cellular cryo-ET images help in resolving the structures of macromolecules and…

Effective representations of protein sequences are widely recognized as a cornerstone of machine learning-based protein design. Yet, protein bioengineering poses unique challenges for sequence representation, as experimental datasets…

定量方法 · 定量生物学 2026-04-07 Ana F. Rodrigues , Lucas Ferraz , Laura Balbi , Pedro Giesteira Cotovio , Catia Pesquita

Recently developed deep learning techniques have significantly improved the accuracy of various speech and image recognition systems. In this paper we show how to adapt some of these techniques to create a novel chained convolutional…

机器学习 · 计算机科学 2017-02-20 Akosua Busia , Navdeep Jaitly