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A key challenge in metabolomics is annotating measured spectra from a biological sample with chemical identities. Currently, only a small fraction of measurements can be assigned identities. Two complementary computational approaches have…

Machine Learning · Computer Science 2022-03-28 Xinmeng Li , Hao Zhu , Li-ping Liu , Soha Hassoun

Detecting and quantifying products of cellular metabolism using Mass Spectrometry (MS) has already shown great promise in many biological and biomedical applications. The biggest challenge in metabolomics is annotation, where measured…

Machine Learning · Computer Science 2020-10-12 Hao Zhu , Liping Liu , Soha Hassoun

Representation learning is a critical ingredient for natural language processing systems. Recent Transformer language models like BERT learn powerful textual representations, but these models are targeted towards token- and sentence-level…

Computation and Language · Computer Science 2020-05-21 Arman Cohan , Sergey Feldman , Iz Beltagy , Doug Downey , Daniel S. Weld

Cells in multicellular organisms coordinate to form structural and functional niches. With spatial transcriptomics (ST) enabling gene expression profiling in spatial contexts, it has been revealed that spatial niches serve as cohesive and…

Quantitative Methods · Quantitative Biology 2026-05-26 Mo Chen , Minsheng Hao , Xinquan Liu , Lin Deng , Peng Liu , Chen Li , Dongfang Wang , Kui Hua , Liang Guo , Xuegong Zhang , Lei Wei

Compound identification and structure annotation from mass spectra is a well-established task widely applied in drug detection, criminal forensics, small molecule biomarker discovery and chemical engineering. We propose SpecTUS: Spectral…

Machine Learning · Computer Science 2026-02-23 Adam Hájek , Michal Starý , Elliott Price , Filip Jozefov , Helge Hecht , Aleš Křenek

Accurate click-through rate (CTR) prediction is vital for online advertising and recommendation systems. Recent deep learning advancements have improved the ability to capture feature interactions and understand user interests. However,…

Information Retrieval · Computer Science 2025-02-24 Kefan Wang , Hao Wang , Kenan Song , Wei Guo , Kai Cheng , Zhi Li , Yong Liu , Defu Lian , Enhong Chen

End-to-end paradigms significantly improve the accuracy of various deep-learning-based computer vision models. To this end, tasks like object detection have been upgraded by replacing non-end-to-end components, such as removing non-maximum…

Computer Vision and Pattern Recognition · Computer Science 2021-05-07 Jie Hu , Liujuan Cao , Yao Lu , ShengChuan Zhang , Yan Wang , Ke Li , Feiyue Huang , Ling Shao , Rongrong Ji

Untargeted metabolomic studies are revealing large numbers of naturally occurring metabolites that cannot be characterized because their chemical structures and MS/MS spectra are not available in databases. Here we present iMet, a…

Quantitative Methods · Quantitative Biology 2017-03-17 Antoni Aguilar-Mogas , Marta Sales-Pardo , Miriam Navarro , Ralf Tautenhahn , Roger Guimerà , Oscar Yanes

Machine learning methods for identifying molecular structures from tandem mass spectra (MS/MS) have advanced rapidly, yet current approaches still exhibit significant error rates. In high-stakes applications such as clinical metabolomics…

Machine Learning · Computer Science 2026-03-12 Mira Jürgens , Gaetan De Waele , Morteza Rakhshaninejad , Willem Waegeman

Multi-modal image registration is a challenging problem that is also an important clinical task for many real applications and scenarios. As a first step in analysis, deformable registration among different image modalities is often…

Image and Video Processing · Electrical Eng. & Systems 2020-07-21 Fengze Liu , Jinzheng Cai , Yuankai Huo , Chi-Tung Cheng , Ashwin Raju , Dakai Jin , Jing Xiao , Alan Yuille , Le Lu , ChienHung Liao , Adam P Harrison

The determination of chemical mixture components is vital to a multitude of scientific fields. Oftentimes spectroscopic methods are employed to decipher the composition of these mixtures. However, the sheer density of spectral features…

Astrophysics of Galaxies · Physics 2024-08-29 Zachary T. P. Fried , Brett A. McGuire

Deep learning-based nuclei segmentation and classification in pathology images typically rely on large-scale pixel-level manual annotations, which are costly and difficult to obtain across diverse tissues and staining conditions. To address…

Computer Vision and Pattern Recognition · Computer Science 2026-04-28 Kazuya Nishimura , Ryoma Bise , Haruka Hirose , Yasuhiro Kojima

Background: Spatial transcriptomics have emerged as a powerful tool in biomedical research because of its ability to capture both the spatial contexts and abundance of the complete RNA transcript profile in organs of interest. However,…

Genomics · Quantitative Biology 2025-04-18 Shuo Shuo Liu , Shikun Wang , Yuxuan Chen , Anil K. Rustgi , Ming Yuan , Jianhua Hu

Training a deep neural network heavily relies on a large amount of training data with accurate annotations. To alleviate this problem, various methods have been proposed to annotate the data automatically. However, automatically generating…

Computer Vision and Pattern Recognition · Computer Science 2021-03-02 Yi Wei , Xue Mei , Xin Liu , Pengxiang Xu

Nested named entity recognition identifies entities contained within other entities, but requires expensive multi-level annotation. While flat NER corpora exist abundantly, nested resources remain scarce. We investigate whether models can…

Computation and Language · Computer Science 2026-03-03 Igor Rozhkov , Natalia Loukachevitch

This paper presents a three-tier modality alignment approach to learning text-image joint embedding, coined as JEMA, for cross-modal retrieval of cooking recipes and food images. The first tier improves recipe text embedding by optimizing…

Computer Vision and Pattern Recognition · Computer Science 2021-08-19 Zhongwei Xie , Ling Liu , Lin Li , Luo Zhong

Background: The quantitative analysis of microscope videos often requires instance segmentation and tracking of cellular and subcellular objects. The traditional method consists of two stages: (1) performing instance object segmentation of…

Image and Video Processing · Electrical Eng. & Systems 2021-05-25 Quan Liu , Isabella M. Gaeta , Mengyang Zhao , Ruining Deng , Aadarsh Jha , Bryan A. Millis , Anita Mahadevan-Jansen , Matthew J. Tyska , Yuankai Huo

Spatial transcriptomics (ST) technologies enable gene expression profiling with spatial resolution, offering unprecedented insights into tissue organization and disease heterogeneity. However, current analysis methods often struggle with…

High throughput sequencing techniques have highly impactedon modern biology, widening the gap between sequenced andannotated data. Automatic annotation tools are thereforeof the foremost importance to guide biologists' experiments. However,…

Machine Learning · Statistics 2016-10-02 Luca Masera

The discovery and identification of molecules in biological and environmental samples is crucial for advancing biomedical and chemical sciences. Tandem mass spectrometry (MS/MS) is the leading technique for high-throughput elucidation of…

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