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Pre-trained Language Models have emerged as promising tools for predicting molecular properties, yet their development is in its early stages, necessitating further research to enhance their efficacy and address challenges such as…

Machine Learning · Computer Science 2023-10-24 Eduardo Soares , Akihiro Kishimoto , Emilio Vital Brazil , Seiji Takeda , Hiroshi Kajino , Renato Cerqueira

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 estimation of Conditional Average Treatment Effects (CATE) is crucial for understanding the heterogeneity of treatment effects in clinical trials. We evaluate the performance of common methods, including causal forests and various…

Methodology · Statistics 2024-07-12 Oshri Machluf , Tzviel Frostig , Gal Shoham , Tomer Milo , Elad Berkman , Raviv Pryluk

Discovering gene-disease associations is crucial for understanding disease mechanisms, yet identifying these associations remains challenging due to the time and cost of biological experiments. Computational methods are increasingly vital…

Artificial Intelligence · Computer Science 2025-01-15 Wentao Cui , Shoubo Li , Chen Fang , Qingqing Long , Chengrui Wang , Xuezhi Wang , Yuanchun Zhou

Statistical inference on the cancer-site specificities of collective ultra-rare whole genome somatic mutations is an open problem. Traditional statistical methods cannot handle whole-genome mutation data due to their…

Methodology · Statistics 2023-01-02 Saptarshi Chakraborty , Zoe Guan , Colin B. Begg , Ronglai Shen

Background and purpose: Heart disease has been one of the most important causes of death in the last 10 years, so the use of classification methods to diagnose and predict heart disease is very important. If this disease is predicted before…

Machine Learning · Computer Science 2021-03-16 Jafar Abdollahi , Babak Nouri-Moghaddam

Topological materials discovery has emerged as an important frontier in condensed matter physics. While theoretical classification frameworks have been used to identify thousands of candidate topological materials, experimental…

Effective representation of molecules is a crucial factor affecting the performance of artificial intelligence models. This study introduces a flexible, fragment-based, multiscale molecular representation framework called t-SMILES…

Machine Learning · Computer Science 2024-05-22 Juan-Ni Wu , Tong Wang , Yue Chen , Li-Juan Tang , Hai-Long Wu , Ru-Qin Yu

Fluorescence microscopy allows for a detailed inspection of cells, cellular networks, and anatomical landmarks by staining with a variety of carefully-selected markers visualized as color channels. Quantitative characterization of…

Computer Vision and Pattern Recognition · Computer Science 2021-08-26 Alvaro Gomariz , Tiziano Portenier , Patrick M. Helbling , Stephan Isringhausen , Ute Suessbier , César Nombela-Arrieta , Orcun Goksel

We consider feature representation learning problem of molecular graphs. Graph Neural Networks have been widely used in feature representation learning of molecular graphs. However, most existing methods deal with molecular graphs…

Machine Learning · Computer Science 2022-06-08 Zhaoning Yu , Hongyang Gao

Malignant brain tumors have become an aggressive and dangerous disease that leads to death worldwide.Multi-modal MRI data is crucial for accurate brain tumor segmentation, but missing modalities common in clinical practice can severely…

Methodology · Statistics 2025-07-11 Guoyan Liang , Qin Zhou , Jingyuan Chen , Bingcang Huang , Kai Chen , Lin Gu , Zhe Wang , Sai Wu , Chang Yao

Background: Breast cancer has the highest prevalence in women globally. The classification and diagnosis of breast cancer and its histopathological images have always been a hot spot of clinical concern. In Computer-Aided Diagnosis (CAD),…

Computer Vision and Pattern Recognition · Computer Science 2022-05-11 Yuchao Zheng , Chen Li , Xiaomin Zhou , Haoyuan Chen , Hao Xu , Yixin Li , Haiqing Zhang , Xiaoyan Li , Hongzan Sun , Xinyu Huang , Marcin Grzegorzek

Skin cancer is a highly dangerous type of cancer that requires an accurate diagnosis from experienced physicians. To help physicians diagnose skin cancer more efficiently, a computer-aided diagnosis (CAD) system can be very helpful. In this…

Image and Video Processing · Electrical Eng. & Systems 2024-06-24 Ayush Roy , Sujan Sarkar , Sohom Ghosal , Dmitrii Kaplun , Asya Lyanova , Ram Sarkar

Accurate cell type annotation is a crucial step in analyzing single-cell RNA sequencing (scRNA-seq) data, which provides valuable insights into cellular heterogeneity. However, due to the high dimensionality and prevalence of zero elements…

Machine Learning · Computer Science 2025-08-14 Huifa Li , Jie Fu , Xinlin Zhuang , Haolin Yang , Xinpeng Ling , Tong Cheng , Haochen xue , Imran Razzak , Zhili Chen

Accurate cancer survival prediction is crucial for assisting clinical doctors in formulating treatment plans. Multimodal data, including histopathological images and genomic data, offer complementary and comprehensive information that can…

Computer Vision and Pattern Recognition · Computer Science 2024-08-09 Hui Luo , Jiashuang Huang , Hengrong Ju , Tianyi Zhou , Weiping Ding

Machine learning methods applied to complex biomedical data has enabled the construction of disease signatures of diagnostic/prognostic value. However, less attention has been given to understanding disease heterogeneity. Semi-supervised…

Quantitative Methods · Quantitative Biology 2020-06-30 Zhijian Yang , Junhao Wen , Christos Davatzikos

Multimodal pathology-genomic analysis has become increasingly prominent in cancer survival prediction. However, existing studies mainly utilize multi-instance learning to aggregate patch-level features, neglecting the information loss of…

Computer Vision and Pattern Recognition · Computer Science 2025-05-21 Mingcheng Qu , Guang Yang , Donglin Di , Tonghua Su , Yue Gao , Yang Song , Lei Fan

In view of the problems that existing salient object detection (SOD) methods are prone to losing details, blurring edges, and insufficient fusion of single-modal information in complex scenes, this paper proposes a dynamic uncertainty…

Computer Vision and Pattern Recognition · Computer Science 2025-08-29 Yuqi Xiong , Wuzhen Shi , Yang Wen , Ruhan Liu

Recent advances in Spatial Transcriptomics (ST) pair histology images with spatially resolved gene expression profiles, enabling predictions of gene expression across different tissue locations based on image patches. This opens up new…

Computer Vision and Pattern Recognition · Computer Science 2025-03-21 Aniruddha Ganguly , Debolina Chatterjee , Wentao Huang , Jie Zhang , Alisa Yurovsky , Travis Steele Johnson , Chao Chen

As they carry great potential for modeling complex interactions, graph neural network (GNN)-based methods have been widely used to predict quantum mechanical properties of molecules. Most of the existing methods treat molecules as molecular…

Machine Learning · Computer Science 2020-09-29 Zeren Shui , George Karypis
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