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Reliable evaluation of blastocyst quality is critical for the success of in vitro fertilization (IVF) treatments. Current embryo grading practices primarily rely on visual assessment of morphological features, which introduces subjectivity,…

Computer Vision and Pattern Recognition · Computer Science 2026-04-16 Nahid Khoshk Angabini , Mohsen Tajgardan , Mahesh Madhavan , Zahra Asghari Varzaneh , Reza Khoshkangini , Thomas Ebner

Biomedical research has revealed the crucial role of miRNAs in the progression of many diseases, and computational prediction methods are increasingly proposed for assisting biological experiments to verify miRNA-disease associations…

Computational Engineering, Finance, and Science · Computer Science 2023-08-29 Yi Zhou , Meixuan Wu , Chengzhou Ouyang , Min Zhu

The study of molecule-target interaction is quite important for drug discovery in terms of target identification, hit identification, pathway study, drug-drug interaction, etc. Most existing methodologies utilize either biomedical network…

Machine Learning · Computer Science 2023-02-07 Jinjiang Guo , Jie Li

The latest biological findings observe that the traditional motionless 'lock-and-key' theory is not generally applicable because the receptor and ligand are constantly moving. Nonetheless, remarkable changes in associated atomic sites and…

Computational Engineering, Finance, and Science · Computer Science 2023-11-01 Fang Wu , Shuting Jin , Yinghui Jiang , Xurui Jin , Bowen Tang , Zhangming Niu , Xiangrong Liu , Qiang Zhang , Xiangxiang Zeng , Stan Z. Li

Recent self-supervised pre-training methods for electroencephalogram (EEG) have shown promising results. However, the pre-trained models typically require full fine-tuning on each downstream task individually to achieve good performance. In…

Machine Learning · Computer Science 2026-04-30 Sicheng Dai , Kai Chen , Hongwang Xiao , Shan Yu , Qiwei Ye

The work for predicting drug and target affinity(DTA) is crucial for drug development and repurposing. In this work, we propose a novel method called GDGRU-DTA to predict the binding affinity between drugs and targets, which is based on…

Quantitative Methods · Quantitative Biology 2022-04-27 Lyu Zhijian , Jiang Shaohua , Liang Yigao , Gao Min

We introduce a hybrid "Modified Genetic Algorithm-Multilevel Stochastic Gradient Descent" (MGA-MSGD) training algorithm that considerably improves accuracy and efficiency of solving 3D mechanical problems described, in strong-form, by PDEs…

Numerical Analysis · Mathematics 2021-11-17 Hamidreza Dehghani , Andreas Zilian

In the rapidly evolving field of metabolic engineering, the quest for efficient and precise gene target identification for metabolite production enhancement presents significant challenges. Traditional approaches, whether knowledge-based or…

Artificial Intelligence · Computer Science 2024-11-01 Kexuan Xin , Qingyun Wang , Junyu Chen , Pengfei Yu , Huimin Zhao , Heng Ji

Knowledge graphs (KGs) serve as powerful tools for organizing and representing structured knowledge. While their utility is widely recognized, challenges persist in their automation and completeness. Despite efforts in automation and the…

Artificial Intelligence · Computer Science 2024-05-07 Mutahira Khalid , Raihana Rahman , Asim Abbas , Sushama Kumari , Iram Wajahat , Syed Ahmad Chan Bukhari

Electrocardiogram (ECG) analysis is a fundamental tool for diagnosing cardiovascular conditions, yet anomaly detection in ECG signals remains challenging due to their inherent complexity and variability. We propose Multi-scale Masked…

Machine Learning · Computer Science 2025-02-11 Ya Zhou , Yujie Yang , Jianhuang Gan , Xiangjie Li , Jing Yuan , Wei Zhao

This paper tackles the pressing challenge of mutagenicity prediction by introducing three ground-breaking approaches. First, it showcases the superior performance of 2D scattering coefficients extracted from molecular images, compared to…

Machine Learning · Computer Science 2024-11-26 Abdeljalil Zoubir , Badr Missaoui

Multi-omic datasets offer opportunities for improved biomarker discovery in cancer research, but their high dimensionality and limited sample sizes make identifying compact and effective biomarker panels challenging. Feature selection in…

Genomics · Quantitative Biology 2026-04-02 Luca Cattelani , Vittorio Fortino

Contemporary graph learning algorithms are not well-defined for large molecules since they do not consider the hierarchical interactions among the atoms, which are essential to determine the molecular properties of macromolecules. In this…

Machine Learning · Computer Science 2023-08-02 Nhat Khang Ngo , Truong Son Hy , Risi Kondor

Predicting accurate protein-ligand binding affinity is important in drug discovery but remains a challenge even with computationally expensive biophysics-based energy scoring methods and state-of-the-art deep learning approaches. Despite…

Discovery gene-disease links is important in biology and medicine areas, enabling disease identification and drug repurposing. Machine learning approaches accelerate this process by leveraging biological knowledge represented in ontologies…

Machine Learning · Computer Science 2025-04-14 Catarina Canastra , Cátia Pesquita

With the rapid development of deep learning and computer vision technologies, medical image segmentation plays a crucial role in the early diagnosis of breast cancer. However, due to the characteristics of breast ultrasound images, such as…

Computer Vision and Pattern Recognition · Computer Science 2024-12-24 Jiajun Ding , Beiyao Zhu , Wenjie Wang , Shurong Zhang , Dian Zhua , Zhao Liua

Motivation: Peptide-protein interactions (PepPIs) are central to cellular regulation and peptide therapeutics, but experimental characterization remains too slow for large-scale screening. Existing methods usually emphasize either…

Machine Learning · Computer Science 2026-04-28 Chupei Tang , Junxiao Kong , Moyu Tang , Di Wang , Jixiu Zhai , Ronghao Xie , Shangkun Sima , Tianchi Lu

The encoding of input parameters is one of the fundamental building blocks of neural network algorithms. Its goal is to map the input data to a higher-dimensional space, typically supported by trained feature vectors. The mapping is crucial…

Graphics · Computer Science 2025-07-29 Jakub Bokšanský , Daniel Meister , Carsten Benthin

Predicting medications is a crucial task in many intelligent healthcare systems. It can assist doctors in making informed medication decisions for patients according to electronic medical records (EMRs). However, medication prediction is a…

Artificial Intelligence · Computer Science 2022-05-02 Yang An , Bo Jin , Xiaopeng Wei

Machine learning (ML) is revolutionizing protein structural analysis, including an important subproblem of predicting protein residue contact maps, i.e., which amino-acid residues are in close spatial proximity given the amino-acid sequence…

Quantitative Methods · Quantitative Biology 2022-12-23 Kuang Liu , Rajiv K. Kalia , Xinlian Liu , Aiichiro Nakano , Ken-ichi Nomura , Priya Vashishta , Rafael Zamora-Resendizc