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arXiv 2024年

作者： Li, Yang Huang, Qiuyi Zhong, Chong Yang, Danjuan Li, Meiyan Welsh, A.H. Liu, Aiyi Fu, Bo Liu, Catherine C. Zhou, Xingtao Department of Applied Mathematics The Hong Kong Polytechnic University Hong Kong School of Data Science Fudan University China College of Business and Economics Australian National University Australia Eye Institute Department of Ophthalmology Eye & ENT Hospital Fudan University China Biostatistis and Bioinformatics Branch Eunice Kennedy Shriver National lnstitute of Child Health and Human Developnent United States

Myopia screening using cutting-edge ultra-widefield (UWF) fundus imaging is potentially significant for ophthalmic outcomes. Current multidisciplinary research between ophthalmology and deep learning (DL) concentrates primarily on disease classification and diagnosis using single-eye images, largely ignoring joint modeling and prediction for Oculus Uterque (OU, both eyes). Inspired by the complex relationships between OU and the high correlation between the (continuous) outcome labels (Spherical Equivalent and Axial Length), we propose a framework of copula-enhanced adapter convolutional neural network (CNN) learning with OU UWF fundus images (OUCopula) for joint prediction of multiple clinical scores. We design a novel bi-channel multi-label CNN which can (1) take bi-channel image inputs subject to both high correlation and heterogeneity (by sharing the same backbone network and employing adapters to parameterize the channel-wise discrepancy), and (2) incorporate correlation information between continuous output labels (using a copula). Solid experiments show that OUCopula achieves satisfactory performance in myopia score prediction compared to backbone models. Moreover, OUCopula can far exceed the performance of models constructed for single-eye inputs. Importantly, our study also hints at the potential extension of the bi-channel model to a multi-channel paradigm and the generalizability of OUCopula across various backbone CNNs. Copyright © 2024, The Authors. All rights reserved.

关键词： Ophthalmology

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Synthetic Control Removes Spurious Discoveries from Double Dipping in Single-Cell and Spatial Transcriptomics data Analyses 29th

Synthetic Control Removes Spurious Discoveries from Double ...

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29th International Conference on Research in Computational Molecular Biology, RECOMB 2025

作者： Song, Dongyuan Chen, Siqi Lee, Christy Li, Kexin Ge, Xinzhou Li, Jingyi Jessica Department of Genetics and Genome Sciences University of Connecticut Health Center FarmingtonCT06032 United States Interdepartmental Program of Bioinformatics University of California Los Angeles Los AngelesCA90095-7246 United States Department of Statistics and Data Science University of California Los Angeles Los AngelesCA90095-1554 United States Department of Statistics Oregon State University CorvallisOR97331-4606 United States

ISBN: (纸本)9783031902512

Double dipping is a common analytical pitfall in single-cell and spatial transcriptomics data analysis: after a clustering algorithm finds clusters as putative cell types or spatial domains, statistical tests are applied to the same data to identify differentially expressed (DE) genes as potential cell-type or spatial-domain markers. Because the genes that contribute to clustering are inherently likely to be identified as DE genes, double dipping can result in false-positive markers, especially when clusters are spurious, leading to ambiguously defined cell types or spatial domains. To address this challenge, we propose ClusterDE, a statistical method designed to identify post-clustering DE genes as reliable markers of cell types and spatial domains, while controlling the false discovery rate (FDR) regardless of clustering quality. © The Author(s), under exclusive license to Springer Nature Switzerland AG 2025.

关键词： Biomolecules

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Clinical Domain Knowledge-Derived Template Improves Post Hoc AI Explanations in Pneumothorax Classification

arXiv

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arXiv 2024年

作者： Yuan, Han Hong, Chuan Jiang, Pengtao Zhao, Gangming Tran, Nguyen Tuan Anh Xu, Xinxing Yan, Yet Yen Liu, Nan Centre for Quantitative Medicine Duke-NUS Medical School Singapore Department of Biostatistics and Bioinformatics Duke University United States College of Computer Science Nankai University China Faculty of Engineering The University of Hong Kong Hong Kong Department of Diagnostic Radiology Singapore General Hospital Singapore Institute of High Performance Computing Agency for Science Technology and Research Singapore Department of Radiology Changi General Hospital Singapore Programme in Health Services and Systems Research Duke-NUS Medical School Singapore Institute of Data Science National University of Singapore Singapore

Background: Pneumothorax is an acute thoracic disease caused by abnormal air collection between the lungs and chest wall. Recently, artificial intelligence (AI), especially deep learning (DL), has been increasingly employed for automating the diagnostic process of pneumothorax. To address the opaqueness often associated with DL models, explainable artificial intelligence (XAI) methods have been introduced to outline regions related to pneumothorax diagnoses made by DL models. However, these explanations sometimes diverge from actual lesion areas, highlighting the need for further improvement. Method: We propose a template-guided approach to incorporate the clinical knowledge of pneumothorax into model explanations generated by XAI methods, thereby enhancing the quality of these explanations. Utilizing one lesion delineation created by radiologists, our approach first generates a template that represents potential areas of pneumothorax occurrence. This template is then superimposed on model explanations to filter out extraneous explanations that fall outside the template’s boundaries. To validate its efficacy, we carried out a comparative analysis of three XAI methods (Saliency Map, Grad-CAM, and Integrated Gradients) with and without our template guidance when explaining two DL models (VGG-19 and ResNet-50) in two real-world datasets (SIIM-ACR and ChestX-Det). Results: The proposed approach consistently improved baseline XAI methods across twelve benchmark scenarios built on three XAI methods, two DL models, and two datasets. The average incremental percentages, calculated by the performance improvements over the baseline performance, were 97.8% in Intersection over Union (IoU) and 94.1% in Dice Similarity Coefficient (DSC) when comparing model explanations and ground-truth lesion areas. We further visualized baseline and template-guided model explanations on radiographs to showcase the performance of our approach. Conclusions: In the context of pneumothorax diagnos

关键词： Diagnosis

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OU-CoViT: Copula-Enhanced Bi-Channel Multi-Task Vision Transformers with Dual Adaptation for OU-UWF Images

arXiv

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arXiv 2024年

作者： Li, Yang Deng, Jianing Zhong, Chong Yang, Danjuan Li, Meiyan Welsh, A.H. Liu, Aiyi Zhou, Xingtao Liu, Catherine C. Fu, Bo School of Data Science Fudan University China Department of Applied Mathematics The Hong Kong Polytechnic University Hong Kong Eye Institute Department of Ophthalmology Eye & ENT Hospital Fudan University China College of Business and Economics Australian National University Australia Biostatistics and Bioinformatics Branch Eunice Kennedy Shriver National Institute of Child Health and Human Development United States

Myopia screening using cutting-edge ultra-widefield (UWF) fundus imaging and joint modeling of multiple discrete and continuous clinical scores presents a promising new paradigm for multi-task problems in Ophthalmology. The bi-channel framework that arises from the Ophthalmic phenomenon of "interocular asymmetries" of both eyes (OU) calls for new employment on the SOTA transformer-based models. However, the application of copula models for multiple mixed discrete-continuous labels on deep learning (DL) is challenging. Moreover, the application of advanced large transformer-based models to small medical datasets is challenging due to overfitting and computational resource constraints. To resolve these challenges, we propose OU-CoViT: a novel Copula-Enhanced Bi-Channel Multi-Task Vision Transformers with Dual Adaptation for OU-UWF images, which can i) incorporate conditional correlation information across multiple discrete and continuous labels within a deep learning framework (by deriving the closed form of a novel Copula Loss);ii) take OU inputs subject to both high correlation and interocular asymmetries using a bi-channel model with dual adaptation;and iii) enable the adaptation of large vision transformer (ViT) models to small medical datasets. Solid experiments demonstrate that OU-CoViT significantly improves prediction performance compared to single-channel baseline models with empirical loss. Furthermore, the novel architecture of OU-CoViT allows generalizability and extensions of our dual adaptation and Copula Loss to various ViT variants and large DL models on small medical datasets. Our approach opens up new possibilities for joint modeling of heterogeneous multichannel input and mixed discrete-continuous clinical scores in medical practices and has the potential to advance AI-assisted clinical decision-making in various medical domains beyond Ophthalmology. © 2024, CC BY.

关键词： Ophthalmology

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quantms: A cloud-based pipeline for proteomics reanalysis enables the quantification of 17521 proteins in 9,502 human samples

Research Square

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Research Square 2023年

作者： Dai, Chengxin Pfeuffer, Julianus Wang, Hong Sachsenberg, Timo Demichev, Vadim Kohlbacher, Oliver Perez-Riverol, Yasset Chongqing Key Laboratory of Big Data for Bio Intelligence Chongqing University of Posts and Telecommunications Chongqing400065 China Algorithmic Bioinformatics Freie Universität Berlin Berlin Germany Department of Computer Science Applied Bioinformatics University of Tübingen Tübingen72076 Germany Charité - Universitätsmedizin Berlin Berlin10117 Germany European Molecular Biology Laboratory European Bioinformatics Institute Wellcome Genome Campus Hinxton CambridgeCB10 1SD United Kingdom

Public proteomics data is rapidly increasing, creating a computational challenge for large-scale reanalysis. Here, we introduce quantms, an open-source cloud-based pipeline for massively parallel proteomics data analysis. We used quantms to reanalyze 56 of the largest datasets, comprising 26801 instrument files from 9502 human samples, to quantify 17521 based on 1.02 million unique peptides. Based on standard file formats improves the reproducibility and deposition of the data to ProteomeXchange. © 2023, CC BY.

关键词： Mass spectrometry

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PDB-IHM: A System for Deposition, Curation, Validation, and Dissemination of Integrative Structures

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Journal of Molecular Biology 2025年第15期437卷 168963页

作者： Vallat, Brinda Webb, Benjamin M. Zalevsky, Arthur Tangmunarunkit, Hongsuda Sekharan, Monica R. Voinea, Serban Shafaeibejestan, Aref Sagendorf, Jared Hoch, Jeffrey C. Kurisu, Genji Morris, Kyle L. Velankar, Sameer Kesselman, Carl Burley, Stephen K. Berman, Helen M. Sali, Andrej Research Collaboratory for Structural Bioinformatics Protein Data Bank and the Institute for Quantitative Biomedicine Rutgers The State University of New Jersey Piscataway 08854 NJ United States Rutgers Cancer Institute Rutgers The State University of New Jersey New Brunswick 08901 NJ United States Research Collaboratory for Structural Bioinformatics Protein Data Bank Department of Bioengineering and Therapeutic Sciences Quantitative Biosciences Institute (QBI) Department of Pharmaceutical Chemistry University of California San Francisco. San Francisco 94157 CA United States Information Sciences Institute Viterbi School of Engineering University of Southern California Los Angeles CA United States Biological Magnetic Resonance Data Bank Department of Molecular Biology and Biophysics University of Connecticut Farmington 06030-3305 CT United States Protein Data Bank Japan Institute for Protein Research Osaka University Osaka Suita 565-0871 Japan Electron Microscopy Data Bank European Molecular Biology Laboratory European Bioinformatics Institute Cambridge Hinxton CB10 1SD United Kingdom Protein Data Bank in Europe European Molecular Biology Laboratory European Bioinformatics Institute Cambridge Hinxton CB10 1SD United Kingdom Research Collaboratory for Structural Bioinformatics Protein Data Bank San Diego Supercomputer Center University of California La Jolla 92093 CA United States Department of Chemistry and Chemical Biology Rutgers The State University of New Jersey Piscataway 08854 NJ United States Rutgers Artificial Intelligence and Data Science (RAD) Collaboratory Rutgers The State University of New Jersey Piscataway 08854 NJ United States Department of Quantitative and Computational Biology University of Southern California Los Angeles 90089 CA United States

Structures of many large biomolecular assemblies are now being determined using integrative approaches. In these approaches, information derived from multiple experimental and computational methods is combined to compute three-dimensional structures of multi-protein complexes and other macromolecular machines. A standalone prototype data resource for integrative structures called PDB-Dev was built, based on recommendations of the Integrative and Hybrid Methods (IHM) Task Force of the Worldwide Protein data Bank (wwPDB). This effort included developing data standards and software tools for collecting, curating, validating, visualizing, archiving, and disseminating integrative structures that span diverse spatiotemporal scales and conformational states. Mechanisms have been created to validate integrative structures based on the experimental data underpinning them. Building upon this foundational framework, PDB-Dev has been further expanded to handle large dynamic macromolecular systems and integrative structures that combine, for example, experimental restraints with atomic coordinates computed by machine learning algorithms. data standards and supporting tools have also been extended to capture information about biomolecular dynamics, such as conformational transitions and related kinetic data derived from biophysical methods. Recently, PDB-Dev was unified with the PDB archive and rebranded as PDB-IHM (***), further promoting FAIR (Findable, Accessible, Interoperable, and Reusable) principles of data stewardship for integrative structural biology. © 2025 The Author(s)

关键词： IHMCIF integrative modeling PDB PDBx/mmCIF structure validation

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Predicting the physiological effects of multiple drugs using electronic health record

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Computers in Biology and Medicine 2025年 184卷 109485-109485页

作者： Jeon, Junhyeok Hong, Eujin Kim, Jong-Yeup Lee, Suehyun Kim, Hyun Uk Daejeon34141 Korea Republic of Department of Biomedical Informatics College of Medicine Konyang University Daejeon35365 Korea Republic of Healthcare Data Science Center Konyang University Hospital Daejeon35365 Korea Republic of Department of Computer Engineering Gachon University Seongnam13120 Korea Republic of Graduate School of Engineering Biology KAIST Daejeon34141 Korea Republic of BioProcess Engineering Research Center and BioInformatics Research Center KAIST Daejeon34141 Korea Republic of

Various computational models have been developed to understand the physiological effects of drug-drug interactions, which can contribute to more effective drug treatments. However, they mostly focus on interactions of only two drugs, and do not consider the patient information. To address this challenge, we use publicly available electronic health record (EHR), MIMIC-IV, to develop machine learning models that predict the physiological effects of two or more drugs. This study involves extensive preprocessing of laboratory measurement data, prescription data and patient data. The resulting machine learning models predict potential abnormalities across 20 selected measurement items (e.g., concentrations of metabolites and blood cells) in the form of a sentence. Analysis of the model predictions showed that age, specific active pharmaceutical ingredients, and male/female appeared to be the most influential features. The model development process showcased in this study can be extended to other measurement items for a target EHR. © 2024 Elsevier Ltd

关键词： Electronic health record

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Impact of CLAHE-based image enhancement for diabetic retinopathy classification through deep learning

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Procedia Computer science 2023年 216卷 57-66页

作者： Mira Hayati Kahlil Muchtar Roslidar Novi Maulina Irfan Syamsuddin Gregorius Natanael Elwirehardja Bens Pardamean Department of Electrical and Computer Engineering Universitas Syiah Kuala Banda Aceh 23111 Indonesia Telematics Research Center (TRC) Universitas Syiah Kuala Banda Aceh 23111 Indonesia Faculty of Medicine Universitas Syiah Kuala Banda Aceh 23111 Indonesia Department of Computer and Networking Engineering Politeknik Negeri Ujung Pandang Makassar 90245 Indonesia Bioinformatics and Data Science Research Center Bina Nusantara University Jakarta 11480 Indonesia Computer Science Department BINUS Graduate Program – Master of Computer Science Program Bina Nusantara University Jakarta 11480 Indonesia

Diabetic retinopathy (DR) is a type of diabetes mellitus that attacks the retina of the eye. DR will cause patients to experience blindness slowly. Generally, DR can be detected by using a special instrument called an ophthalmoscope to view the inside of the eyeball. However, in conditions where there is a very small difference between the normal image and the DR image, computer-based assistance is needed for maximizing image reading value. In this research, a method of image quality improvement will be carried out which will then be integrated with a classification algorithm based on deep learning. The results of image improvement using Contrast Limited Adaptive Histogram Equalization (CLAHE) shows that the average accuracy of the method on several models is very competitive, 91% for the VGG16 model, 95% for InceptionV3, and 97% for EfficientNet compared to the results original image which only has an accuracy of 87% for VGG16 model, 90% for InceptionV3 model, and 95% for EfficientNet. However, in ResNet34 better accuracy is obtained in the original image with an accuracy of 95% while in the CLAHE image the accuracy value is only 84%. The results of this comprehensive evaluation and recommendation of famous backbone networks can be useful in the computer-aided diagnosis of diabetic retinopathy.

关键词： Diabetic retinopathy Deep Learning CNN Image Enhancement CLAHE

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Biomedical data and AI

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science China Life sciences 2025年第5期68卷 1536-1540页

作者： Hao Xu Shibo Zhou Zefeng Zhu Vincenzo Vitelli Liangyi Chen Ziwei Dai Ning Yang Luhua Lai Shengyong Yang Sergey Ovchinnikov Zhuoran Qiao Sirui Liu Chen Song Jianfeng Pei Han Wen Jianfeng Feng Yaoyao Zhang Zhengwei Xie Yang-Yu Liu Zhiyuan Li Fulai Jin Hao Li Mohammad Lotfollahi Xuegong Zhang Ge Yang Shihua Zhang Ge Gao Pulin Li Qi Liu Jing-Dong Jackie Han Peking-Tsinghua Center for Life Sciences (CLS) Academy for Advanced Interdisciplinary StudiesPeking University Center for Quantitative Biology (CQB) Academy for Advanced Interdisciplinary StudiesPeking University Peking University-Tsinghua University-National Institute of Biological Sciences Joint Graduate Program Academy for Advanced Interdisciplinary StudiesPeking University Department of Physics University of Chicago School of Life Sciences Southern University of Science and Technology Peking University Chengdu Academy for Advanced Interdisciplinary Biotechnologies College of Chemistry and Molecular Engineering Peking University Department of Biotherapy Cancer Center and State Key Laboratory of BiotherapyWest China HospitalSichuan University Department of Biology Massachusetts Institute of Technology Lambic Therapeutics Inc. Changping Laboratory Al for Science Institute Key Laboratory of Computational Neuroscience and Brain-Inspired Intelligence Fudan University Department of Obstetrics and Gynecology West China Second University HospitalSichuan University Peking University International Cancer Institute and Peking University-Yunnan Baiyao International Medical Institute and State Key Laboratory of Natural and Biomimetic Drugs Department of Molecular and Cellular PharmacologySchool of Pharmaceutical SciencesPeking University Health Science CenterPeking University Channing Division of Network Medicine Department of MedicineBrigham and Women's Hospital and Harvard Medical School Center for Artificial Intelligence and Modeling the Carl R.Woese Institute for Genomic BiologyUniversity of Illinois Urbana-Champaign Department of Genetics and Genome Sciences School of Medicine and Department of Computer and Data Sciences and Department of Population and Quantitative Health SciencesCase Western Reserve University Department of Biochemistry and Biophysics University of California Sanger Institute Department of Automation Tsinghua University State Key Laboratory of Multimodal Artificial Intelligence Systems I

The development of artificial intelligence(AI) and the mining of biomedical data complement each other. From the direct use of computer vision results to analyze medical images for disease screening, to now integrating biological knowledge into models and even accelerating the development of new AI based on biological discoveries, the boundaries of both are constantly expanding, and their connections are becoming closer.

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database management system design for automatic weather information with twitter data collection 6

Database management system design for automatic weather info...

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6th International Conference on Information Management and Technology, ICIMTech 2021

作者： Purwandari, Kartika Perbangsa, Anzaludin Samsinga Sigalingging, Join W. C. Krisna, Adhi Asta Anggrayani, Suci Pardamean, Bens Bina Nusantara University Bioinformatics and Data Science Research Center Jakarta11480 Indonesia Bina Nusantara University School of Information Systems Information Systems Department Jakarta11480 Indonesia Meteorological Climatological and Geophysical Agency Database Center Division of Bmkg Jakarta10720 Indonesia Bina Nusantara University Binus Graduate Program - Master of Computer Science Computer Science Department Jakarta11480 Indonesia

ISBN: (纸本)9781665449373

Improvement of data management about weather in Indonesia is very supportive of the need for weather information. Currently, the weather information that is disseminated to the public is only based on sensor location points that are spread across Indonesia. However, supporting data generated from these sensors is only limited to certain areas. We hence develop a database system that can help collect weather information automatically via Twitter. This facilitates the Indonesian people in knowing weather information based on the completeness of data from sensor data and Twitter. The steps from the database that are built will be very helpful in collecting data about the weather throughout Indonesia. The basic step that we use in our database are conceptual, logical and physical design. The information obtained in this study is very important for efficient and effective data collection to achieve real-time automation of weather information. © 2021 IEEE.

关键词： database systems

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