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Physics-informed machine learning (PIML) has emerged as a promising alternative to classical methods for predicting dynamical systems, offering faster and more generalizable solutions. However, existing models, including recurrent neural…

Machine Learning · Computer Science 2025-01-28 Zheyuan Hu , Nazanin Ahmadi Daryakenari , Qianli Shen , Kenji Kawaguchi , George Em Karniadakis

Single-nucleus RNA sequencing (snRNA-seq) has significantly advanced our understanding of the disease etiology of neurodegenerative disorders. However, the low quality of specimens derived from postmortem brain tissues, combined with the…

Genomics · Quantitative Biology 2025-02-28 Gyutaek Oh , Baekgyu Choi , Seyoung Jin , Inkyung Jung , Jong Chul Ye

Understanding protein solubility is essential for their functional applications. Computational methods for predicting protein solubility are crucial for reducing experimental costs and enhancing the efficiency and success rates of protein…

Quantitative Methods · Quantitative Biology 2024-07-01 Yang Tan , Jia Zheng , Liang Hong , Bingxin Zhou

Computational models that accurately predict the binding affinity of an input protein-chemical pair can accelerate drug discovery studies. These models are trained on available protein-chemical interaction datasets, which may contain…

Quantitative Methods · Quantitative Biology 2023-01-10 Rıza Özçelik , Alperen Bağ , Berk Atıl , Melih Barsbey , Arzucan Özgür , Elif Özkırımlı

Proteins are miniature machines whose function depends on their three-dimensional (3D) structure. Determining this structure computationally remains an unsolved grand challenge. A major bottleneck involves selecting the most accurate…

Quantitative Methods · Quantitative Biology 2020-11-30 Stephan Eismann , Patricia Suriana , Bowen Jing , Raphael J. L. Townshend , Ron O. Dror

Meta-learning facilitates few-shot hyperspectral target detection (HTD), but adapting deep backbones remains challenging. Full-parameter fine-tuning is inefficient and prone to overfitting, and existing methods largely ignore the…

Computer Vision and Pattern Recognition · Computer Science 2026-04-08 Luqi Gong , Qixin Xie , Yue Chen , Ziqiang Chen , Fanda Fan , Shuai Zhao , Chao Li

Classification of proteins based on their structure provides a valuable resource for studying protein structure, function and evolutionary relationships. With the rapidly increasing number of known protein structures, manual and…

Computational Engineering, Finance, and Science · Computer Science 2009-07-14 Oktie Hassanzadeh

Predicting gene function from its DNA sequence is a fundamental challenge in biology. Many deep learning models have been proposed to embed DNA sequences and predict their enzymatic function, leveraging information in public databases…

Food protein digestibility and bioavailability are critical aspects in addressing human nutritional demands, particularly when seeking sustainable alternatives to animal-based proteins. In this study, we propose a machine learning approach…

Quantitative Methods · Quantitative Biology 2022-11-02 Sara Malvar , Anvita Bhagavathula , Maria Angels de Luis Balaguer , Swati Sharma , Ranveer Chandra

With the development of next generation sequencing techniques, it is fast and cheap to determine protein sequences but relatively slow and expensive to extract useful information from protein sequences because of limitations of traditional…

Quantitative Methods · Quantitative Biology 2017-10-20 Renzhi Cao , Colton Freitas , Leong Chan , Miao Sun , Haiqing Jiang , Zhangxin Chen

Multi-modal learning that combines pathological images with genomic data has significantly enhanced the accuracy of survival prediction. Nevertheless, existing methods have not fully utilized the inherent hierarchical structure within both…

Computer Vision and Pattern Recognition · Computer Science 2024-12-05 Ying Chen , Jiajing Xie , Yuxiang Lin , Yuhang Song , Wenxian Yang , Rongshan Yu

Self-supervised pretraining is promising for large-scale neuroimaging, yet the impact of region-aware masking and hybrid sequence modeling remains underexplored. In this work, we introduce Rhamba, a region-aware pretraining framework that…

Deep learning is catalyzing a scientific revolution fueled by big data, accessible toolkits, and powerful computational resources, impacting many fields including protein structural modeling. Protein structural modeling, such as predicting…

Biomolecules · Quantitative Biology 2020-07-17 Wenhao Gao , Sai Pooja Mahajan , Jeremias Sulam , Jeffrey J. Gray

Radiography imaging protocols target on specific anatomical regions, resulting in highly consistent images with recurrent structural patterns across patients. Recent advances in medical anomaly detection have demonstrated the effectiveness…

Computer Vision and Pattern Recognition · Computer Science 2025-07-28 Rui Pan , Ruiying Lu

Self-supervised training of language models (LMs) has seen great success for protein sequences in learning meaningful representations and for generative drug design. Most protein LMs are based on the Transformer architecture trained on…

Biomolecules · Quantitative Biology 2025-04-03 Yingheng Wang , Zichen Wang , Gil Sadeh , Luca Zancato , Alessandro Achille , George Karypis , Huzefa Rangwala

Protein function is driven by cohesive substructures, such as catalytic triads, binding pockets, and structural motifs, that occupy only a small fraction of a protein's residues. Yet existing pipelines built on protein encoders do not model…

Biomolecules · Quantitative Biology 2026-05-18 Xin Wang , Kaiwen Shi , Carlos Oliver

Accurately finding proteins and genes that have a certain function is the prerequisite for a broad range of biomedical applications. Despite the encouraging progress of existing computational approaches in protein function prediction, it…

Quantitative Methods · Quantitative Biology 2022-04-22 Hanwen Xu , Sheng Wang

Directed evolution of proteins has been the most effective method for protein engineering. However, a new paradigm is emerging, fusing the library generation and screening approaches of traditional directed evolution with computation…

Biomolecules · Quantitative Biology 2023-05-29 Kadina E. Johnston , Clara Fannjiang , Bruce J. Wittmann , Brian L. Hie , Kevin K. Yang , Zachary Wu

In multivariate time-series forecasting (MTSF), extracting the temporal correlations of the input sequences is crucial. While popular Transformer-based predictive models can perform well, their quadratic computational complexity results in…

Machine Learning · Computer Science 2024-07-23 Shusen Ma , Yu Kang , Peng Bai , Yun-Bo Zhao

State space models (SSMs) with selection mechanisms and hardware-aware architectures, namely Mamba, have recently demonstrated significant promise in long-sequence modeling. Since the self-attention mechanism in transformers has quadratic…

Computer Vision and Pattern Recognition · Computer Science 2024-04-29 Hanwei Zhang , Ying Zhu , Dan Wang , Lijun Zhang , Tianxiang Chen , Zi Ye
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