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The Journal of Machine Learning Research 2016年第1期17卷

作者： Kevin Murphy Bernhard Schölkopf Shiwen Zhao Chuan Gao Sayan Mukherjee Barbara E. Engelhardt Google MPI for Intelligent Systems Computational Biology and Bioinformatics Program Department of Statistical Science Duke University Durham NC Department of Statistical Science Duke University Durham NC Departments of Statistical Science Computer Science Mathematics Duke University Durham NC Department of Computer Science Center for Statistics and Machine Learning Princeton University Princeton NJ

Latent factor models are the canonical statistical tool for exploratory analyses of low-dimensional linear structure for a matrix of p features across n samples. We develop a structured Bayesian group factor analysis model that extends the factor model to multiple coupled observation matrices; in the case of two observations, this reduces to a Bayesian model of canonical correlation analysis. Here, we carefully define a structured Bayesian prior that encourages both element-wise and column-wise shrinkage and leads to desirable behavior on high-dimensional data. In particular, our model puts a structured prior on the joint factor loading matrix, regularizing at three levels, which enables element-wise sparsity and unsupervised recovery of latent factors corresponding to structured variance across arbitrary subsets of the observations. In addition, our structured prior allows for both dense and sparse latent factors so that covariation among either all features or only a subset of features can be recovered. We use fast parameter-expanded expectation-maximization for parameter estimation in this model. We validate our method on simulated data with substantial structure. We show results of our method applied to three high-dimensional data sets, comparing results against a number of state-of-the-art approaches. These results illustrate useful properties of our model, including i) recovering sparse signal in the presence of dense effects; ii) the ability to scale naturally to large numbers of observations; iii) flexible observation- and factor-specific regularization to recover factors with a wide variety of sparsity levels and percentage of variance explained; and iv) tractable inference that scales to modern genomic and text data sizes.

关键词： bayesian structured sparsity canonical correlation analysis mixture models parameter expansion sparse and low-rank matrix decomposition sparse priors

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Spatial atlas of the mouse central nervous system at molecular resolution (vol 622, pg 552, 2023)

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NATURE 2024年第7993期625卷 E6-E6页

作者： Shi, Hailing He, Yichun Zhou, Yiming Huang, Jiahao Maher, Kamal Wang, Brandon Tang, Zefang Luo, Shuchen Tan, Peng Wu, Morgan Lin, Zuwan Ren, Jingyi Thapa, Yaman Tang, Xin Chan, Ken Y. Deverman, Benjamin E. Shen, Hao Liu, Albert Liu, Jia Wang, Xiao Broad Institute of MIT and Harvard Cambridge MA USA Department of Chemistry Massachusetts Institute of Technology Cambridge MA USA John A. Paulson School of Engineering and Applied Sciences Harvard University Boston MA USA Computational and Systems Biology PhD Program Massachusetts Institute of Technology Cambridge MA USA Department of Electrical Engineering and Computer Science Massachusetts Institute of Technology Cambridge MA USA Department of Biology Massachusetts Institute of Technology Cambridge MA USA Klarman Cell Observatory Broad Institute of MIT and Harvard Cambridge MA USA Department of Chemistry and Chemical Biology Harvard University Cambridge MA USA Stanley Center for Psychiatric Research Broad Institute of MIT and Harvard Cambridge MA USA

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Computational Methods for Single-Cell RNA Sequencing

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Biomedical Data science 1000年第1期3卷 339-364页

作者： Brian Hie Joshua Peters Sarah K. Nyquist Alex K. Shalek Bonnie Berger Bryan D. Bryson 1Computer Science and Artificial Intelligence Laboratory (CSAIL) Massachusetts Institute of Technology Cambridge Massachusetts 02139 USA email: bab@mit.edu 3Ragon Institute of MGH MIT and Harvard Cambridge Massachusetts 02139 USA 2Department of Biological Engineering Massachusetts Institute of Technology Cambridge Massachusetts 02139 USA email: bryand@mit.edu 4Program in Computational and Systems Biology Massachusetts Institute of Technology Cambridge Massachusetts 02139 USA 5Department of Chemistry Institute for Medical Engineering & Science (IMES) and Koch Institute for Integrative Cancer Research Massachusetts Institute of Technology Cambridge Massachusetts 02139 USA 6Department of Mathematics Massachusetts Institute of Technology Cambridge Massachusetts 02139 USA

Single-cell RNA sequencing (scRNA-seq) has provided a high-dimensional catalog of millions of cells across species and diseases. These data have spurred the development of hundreds of computational tools to derive novel biological insights. Here, we outline the components of scRNA-seq analytical pipelines and the computational methods that underlie these steps. We describe available methods, highlight well-executed benchmarking studies, and identify opportunities for additional benchmarking studies and computational methods. As the biochemical approaches for single-cell omics advance, we propose coupled development of robust analytical pipelines suited for the challenges that new data present and principled selection of analytical methods that are suited for the biological questions to be addressed.

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Finding shortest and nearly shortest path nodes in large substantially incomplete networks

arXiv

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arXiv 2022年

作者： Kitsak, Maksim Ganin, Alexander Elmokashfi, Ahmed Cui, Hongzhu Eisenberg, Daniel A. Alderson, David L. Korkin, Dmitry Linkov, Igor Faculty of Electrical Engineering Mathematics and Computer Science Delft University of Technology Delft Netherlands Network Science Institute Northeastern University BostonMA02115 United States Department of Systems and Information Engineering University of Virginia CharlottesvilleVA22904 United States U.S. Army Engineer Research and Development Center Contractor Concord MA01742 United States Simula Metropolitan Center for Digital Engineering Oslo Norway Bioinformatics and Computational Biology Program Worcester Polytechnic Institute WorcesterMA01609 United States Institute for Genomic Medicine Columbia University Medical Center New YorkNY United States Operations Research Department Naval Postgraduate School MontereyCA93943 United States Data Science Program Worcester Polytechnic Institute WorcesterMA01609 United States Computer Science Department Worcester Polytechnic Institute WorcesterMA01609 United States U.S. Army Engineer Research and Development Center Environmental Laboratory Concord MA01742 United States

Dynamic processes on networks, be it information transfer in the Internet, contagious spreading in a social network, or neural signaling, take place along shortest or nearly shortest paths. Unfortunately, our maps of most large networks are substantially incomplete due to either the highly dynamic nature of networks, or high cost of network measurements, or both, rendering traditional path finding methods inefficient. We find that shortest paths in large real networks, such as the network of protein-protein interactions (PPI) and the Internet at the autonomous system (AS) level, are not random but are organized according to latent-geometric rules. If nodes of these networks are mapped to points in latent hyperbolic spaces, shortest paths in them align along geodesic curves connecting endpoint nodes. We find that this alignment is sufficiently strong to allow for the identification of shortest path nodes even in the case of substantially incomplete networks. We demonstrate the utility of latent-geometric path finding in problems of cellular pathway reconstruction and communication security. Copyright © 2022, The Authors. All rights reserved.

关键词： Proteins

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PAK signalling drives acquired drug resistance to MAPK inhibitors in BRAF-mutant melanomas (vol 550, pg 133, 2017)

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NATURE 2019年第7738期565卷 E4-E4页

作者： Lu, Hezhe Liu, Shujing Zhang, Gao Wu, Bin Zhu, Yueyao Frederick, Dennie T. Hu, Yi Zhong, Wenqun Randell, Sergio Sadek, Norah Zhang, Wei Chen, Gang Cheng, Chaoran Zeng, Jingwen Wu, Lawrence W. Zhang, Jie Liu, Xiaoming Xu, Wei Krepler, Clemens Sproesser, Katrin Xiao, Min Miao, Benchun Liu, Jianglan Song, Claire D. Liu, Jephrey Y. Karakousis, Giorgos C. Schuchter, Lynn M. Lu, Yiling Mills, Gordon Cong, Yusheng Chernoff, Jonathan Guo, Jun Boland, Genevieve M. Sullivan, Ryan J. Wei, Zhi Field, Jeffrey Amaravadi, Ravi K. Flaherty, Keith T. Herlyn, Meenhard Xu, Xiaowei Guo, Wei Department of Biology University of Pennsylvania Philadelphia USA Department of Pathology and Laboratory Medicine Perelman School of Medicine University of Pennsylvania Philadelphia USA Molecular and Cellular Oncogenesis Program and Melanoma Research Center The Wistar Institute Philadelphia USA Massachusetts General Hospital Cancer Center Boston Massachusetts USA Department of Biology Drexel University Philadelphia USA Department of Computer Science New Jersey Institute of Technology Newark USA Abramson Cancer Center and Department of Medicine Perelman School of Medicine University of Pennsylvania Philadelphia USA Department of Surgery Hospital of the University of Pennsylvania Philadelphia USA Department of Systems Biology The University of Texas MD Anderson Cancer Center Houston USA Institute of Aging Research Hangzhou Normal University School of Medicine Hangzhou China Cancer Biology Program Fox Chase Cancer Center Philadelphia USA Department of Renal Cancer and Melanoma Peking University Cancer Hospital and Institute Beijing China Department of Surgery Massachusetts General Hospital Boston USA Department of Systems Pharmacology and Translational Therapeutics Perelman School of Medicine University of Pennsylvania Philadelphia USA Department of Dermatology Perelman School of Medicine University of Pennsylvania Philadelphia USA

In this Letter, two relevant references were omitted; see the accompanying Amendment for details. The original Letter has not been corrected.

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Technology Roadmap for Flexible Sensors

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ACS NANO 2023年第6期17卷 5211-5295页

作者： Luo, Yifei Abidian, Mohammad Reza Ahn, Jong-Hyun Akinwande, Deji Andrews, Anne M. Antonietti, Markus Bao, Zhenan Berggren, Magnus Berkey, Christopher A. Bettinger, Christopher John Chen, Jun Chen, Peng Cheng, Wenlong Cheng, Xu Choi, Seon-Jin Chortos, Alex Dagdeviren, Canan Dauskardt, Reinhold H. Di, Chong-an Dickey, Michael D. Duan, Xiangfeng Facchetti, Antonio Fan, Zhiyong Fang, Yin Feng, Jianyou Feng, Xue Gao, Huajian Gao, Wei Gong, Xiwen Guo, Chuan Fei Guo, Xiaojun Hartel, Martin C. He, Zihan Ho, John S. Hu, Youfan Huang, Qiyao Huang, Yu Huo, Fengwei Hussain, Muhammad M. Javey, Ali Jeong, Unyong Jiang, Chen Jiang, Xingyu Kang, Jiheong Karnaushenko, Daniil Khademhosseini, Ali Kim, Dae-Hyeong Kim, Il-Doo Kireev, Dmitry Kong, Lingxuan Lee, Chengkuo Lee, Nae-Eung Lee, Pooi See Lee, Tae-Woo Li, Fengyu Li, Jinxing Liang, Cuiyuan Lim, Chwee Teck Lin, Yuanjing Lipomi, Darren J. Liu, Jia Liu, Kai Liu, Nan Liu, Ren Liu, Yuxin Liu, Yuxuan Liu, Zhiyuan Liu, Zhuangjian Loh, Xian Jun Lu, Nanshu Lv, Zhisheng Magdassi, Shlomo Malliaras, George G. Matsuhisa, Naoji Nathan, Arokia Niu, Simiao Pan, Jieming Pang, Changhyun Pei, Qibing Peng, Huisheng Qi, Dianpeng Ren, Huaying Rogers, John A. Rowe, Aaron Schmidt, Oliver G. Sekitani, Tsuyoshi Seo, Dae-Gyo Shen, Guozhen Sheng, Xing Shi, Qiongfeng Someya, Takao Song, Yanlin Stavrinidou, Eleni Su, Meng Sun, Xuemei Takei, Kuniharu Tao, Xiao-Ming Tee, Benjamin C. K. Thean, Aaron Voon-Yew Trung, Tran Quang Wan, Changjin Wang, Huiliang Wang, Joseph Wang, Ming Wang, Sihong Wang, Ting Wang, Zhong Lin Weiss, Paul S. Wen, Hanqi Xu, Sheng Xu, Tailin Yan, Hongping Yan, Xuzhou Yang, Hui Yang, Le Yang, Shuaijian Yin, Lan Yu, Cunjiang Yu, Guihua Yu, Jing Yu, Shu-Hong Yu, Xinge Zamburg, Evgeny Zhang, Haixia Zhang, Xiangyu Zhang, Xiaosheng Zhang, Xueji Zhang, Yihui Zhang, Yu Zhao, Siyuan Zhao, Xuanhe Zheng, Yuanjin Zheng, Yu-Qing Zheng, Zijian Zhou, Tao Zhu, Bowen Zhu, Ming Zhu, Rong Zhu, Yangzhi Zhu, Yong Zou, Guijin Chen, Xiaodong 08-03 Innovis Singapore 138634 Republic of Singapore Innovative Centre for Flexible Devices (iFLEX) School of Materials Science and Engineering Nanyang Technological University Singapore 639798 Singapore Department of Biomedical Engineering University of Houston Houston Texas 77024 United States School of Electrical and Electronic Engineering Yonsei University Seoul 03722 Republic of Korea Department of Electrical and Computer Engineering The University of Texas at Austin Austin Texas 78712 United States Microelectronics Research Center The University of Texas at Austin Austin Texas 78758 United States Department of Chemistry and Biochemistry California NanoSystems Institute and Department of Psychiatry and Biobehavioral Sciences Semel Institute for Neuroscience and Human Behavior and Hatos Center for Neuropharmacology University of California Los Angeles Los Angeles California 90095 United States Colloid Chemistry Department Max Planck Institute of Colloids and Interfaces 14476 Potsdam Germany Department of Chemical Engineering Stanford University Stanford California 94305 United States Laboratory of Organic Electronics Department of Science and Technology Campus Norrköping Linköping University 83 Linköping Sweden Wallenberg Initiative Materials Science for Sustainability (WISE) and Wallenberg Wood Science Center (WWSC) SE-100 44 Stockholm Sweden Department of Materials Science and Engineering Stanford University Stanford California 94301 United States Department of Biomedical Engineering and Department of Materials Science and Engineering Carnegie Mellon University Pittsburgh Pennsylvania 15213 United States Department of Bioengineering University of California Los Angeles Los Angeles California 90095 United States School of Chemistry Chemical Engineering and Biotechnology Nanyang Technological University Singapore 637457 Singapore Nanobionics Group Department of Chemical and Biological Engineering Monash University Clayton Australia 3800 Monash

Humans rely increasingly on sensors to address grand challenges and to improve quality of life in the era of digitalization and big data. For ubiquitous sensing, flexible sensors are developed to overcome the limitations of conventional rigid counterparts. Despite rapid advancement in bench-side research over the last decade, the market adoption of flexible sensors remains limited. To ease and to expedite their deployment, here, we identify bottlenecks hindering the maturation of flexible sensors and propose promising solutions. We first analyze continued...challenges in achieving satisfactory sensing performance for real-world applications and then summarize issues in compatible sensor-biology interfaces, followed by brief discussions on powering and connecting sensor networks. Issues en route to commercialization and for sustainable growth of the sector are also analyzed, highlighting environmental concerns and emphasizing nontechnical issues such as business, regulatory, and ethical considerations. Additionally, we look at future intelligent flexible sensors. In proposing a comprehensive roadmap, we hope to steer research efforts towards common goals and to guide coordinated development strategies from disparate communities. Through such collaborative

关键词： soft materials mechanics engineering flexible electronics conformable sensors bioelectronics human-machine interfaces body area sensor networks technology translation sustainable electronics

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Enriching and Characterizing T-Cell Repertoires from 3' Barcoded Single-Cell Whole Transcriptome Amplification Products

arXiv

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arXiv 2022年

作者： Jivanjee, Tasneem Ibrahim, Samira Nyquist, Sarah K. James Gatter, G. Bromley, Joshua D. Jaiswal, Swati Berger, Bonnie Behar, Samuel M. Christopher Love, J. Shalek, Alex K. Institute for Medical Engineering & Science Department of Chemistry Massachusetts Institute of Technology CambridgeMA United States Koch Institute for Integrative Cancer Research Massachusetts Institute of Technology CambridgeMA United States Ragon Institute of MGH MIT and Harvard CambridgeMA United States Broad Institute of MIT and Harvard CambridgeMA United States Massachusetts Institute of Technology CambridgeMA United States Program in Computational and Systems Biology Massachusetts Institute of Technology CambridgeMA United States Computer Science and Artificial Intelligence Laboratory Massachusetts Institute of Technology CambridgeMA United States Microbiology Graduate Program Massachusetts Institute of Technology CambridgeMA02139 United States Department of Microbiology and Physiological Systems University of Massachusetts Medical School WorcesterMA United States Department of Mathematics Massachusetts Institute of Technology CambridgeMA United States Department of Chemical Engineering Massachusetts Institute of Technology CambridgeMA United States

Antigen-specific T cells play an essential role in immunoregulation and many diseases such as cancer. Characterizing the T cell receptor (TCR) sequences that encode T cell specificity is critical for elucidating the antigenic determinants of immunological diseases and designing therapeutic remedies. However, methods of obtaining single-cell TCR sequencing data are labor and cost intensive, typically requiring both cell sorting and full length single-cell RNA-sequencing (scRNA-seq). New high-throughput 3' cell-barcoding scRNA-seq methods can simplify and scale this process;however, they do not routinely capture TCR sequences during library preparation and sequencing. While 5' cell-barcoding scRNA-seq methods can be used to examine TCR repertoire at single-cell resolution, doing so requires specialized reagents which cannot be applied to samples previously processed using 3' cell-barcoding methods. Here, we outline a method for sequencing TCRα and TCRβ transcripts from samples already processed using 3' cell-barcoding scRNA-seq platforms, ensuring TCR recovery at a single-cell resolution. In short, a fraction of the 3' barcoded whole transcriptome amplification (WTA) product typically used to generate a massively parallel 3' scRNA-seq library is enriched for TCR transcripts using biotinylated probes, and further amplified using the same universal primer sequence from WTA. Primer extension using TCR V-region primers and targeted PCR amplification using a second universal primer results in a 3' barcoded single-cell CDR3-enriched library that can be sequenced with custom sequencing primers. Coupled with 3' scRNA-seq of the same WTA, this method enables simultaneous analysis of single-cell transcriptomes and TCR sequences which can help interpret inherent heterogeneity among antigen-specific T cells and salient disease biology. The method presented here can also be adapted readily to enrich and sequence other transcripts of interest from both 3' and 5' barcoded scRNA-seq

关键词： RNA

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Direct Comparison of RT-ddPCR and Targeted Amplicon Sequencing for SARS-CoV-2 Mutation Monitoring in Wastewater

SSRN

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SSRN 2022年

作者： Lou, Esther G. Sapoval, Nicolae McCall, Camille Bauhs, Lauren Carlson-Stadler, Russell Kalvapalle, Prashant Lai, Yanlai Palmer, Kyle Penn, Ryker Rich, Whitney Wolken, Madeline Ensor, Katherine B. Hopkins, Loren Treangen, Todd J. Stadler, Lauren B. Department of Civil and Environmental Engineering Rice University 6100 Main Street MS 519 HoustonTX77005 United States Department of Computer Science Rice University 6100 Main Street HoustonTX77005 United States Systems Synthetic and Physical Biology Graduate Program Rice University 6100 Main Street HoustonTX77005 United States Houston Health Department 8000 N. Stadium Dr. HoustonTX77054 United States Department of Statistics Rice University 6100 Main Street MS 138 HoustonTX77005 United States

Over the course of the COVID-19 pandemic, variants of SARS-CoV-2 have emerged that are more contagious and more likely to cause breakthrough infections. Targeted amplicon sequencing approach is a gold standard for identification and analysis of variants. However, when applied to environmental samples such as wastewater, it remains unclear how sensitive this method is for detecting variant-associated mutations in environmental samples. Here we directly compare a targeted amplicon sequencing approach (using ARTIC v3;hereafter referred to as sequencing) with RT-ddPCR quantification for the detection of five mutations that are characteristic of variants of concern (VoCs) in wastewater samples. In total, 547 wastewater samples were analyzed using both methods in parallel. When we observed positive mutation detections by RT-ddPCR, 42.6% of the detection events were missed by sequencing, due to negative detection or the limited read coverage at the mutation position. Further, when sequencing reported negative or depth-limited mutation detections, 26.7% of those events were instead positive detections by RT-ddPCR, highlighting the relatively poor sensitivity of sequencing. No or weak associations were observed between quantitative measurements of target mutations determined by RT-ddPCR and sequencing. These findings caution the use of quantitative measurements of SARS-CoV-2 variants in wastewater samples determined solely based on sequencing. © 2022, The Authors. All rights reserved.

关键词： SARS

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Author Correction: Single-cell multi-ome regression models identify functional and disease-associated enhancers and enable chromatin potential analysis

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Nature genetics 2024年第6期56卷 1319页

作者： Sneha Mitra Rohan Malik Wilfred Wong Afsana Rahman Alexander J Hartemink Yuri Pritykin Kushal K Dey Christina S Leslie Computational and Systems Biology Program Memorial Sloan Kettering Cancer Center New York City NY USA. Rye Country Day School Rye NY USA. Tri-Institutional Training Program in Computational Biology and Medicine New York City NY USA. Hunter College City University of New York New York City NY USA. Department of Computer Science Duke University Durham NC USA. Program in Computational Biology and Bioinformatics Duke University Durham NC USA. Center for Genomic and Computational Biology Duke University Durham NC USA. Department of Computer Science Princeton University Princeton NJ USA. Lewis-Sigler Institute for Integrative Genomics Princeton University Princeton NJ USA. Computational and Systems Biology Program Memorial Sloan Kettering Cancer Center New York City NY USA. deyk@***. Computational and Systems Biology Program Memorial Sloan Kettering Cancer Center New York City NY USA. lesliec@***.

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Accurately predicting anticancer peptide using an ensemble of heterogeneously trained classifiers

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Informatics in Medicine Unlocked 2023年 42卷

作者： Azim, Sayed Mehedi Sabab, Noor Hossain Nuri Noshadi, Iman Alinejad-Rokny, Hamid Sharma, Alok Shatabda, Swakkhar Dehzangi, Iman Center for Computational and Integrative Biology Rutgers University Camden 08102 NJ United States Department of Computer Science and Engineering United International University Plot 2 United City Madani Avenue BaddaDhaka 1212 Bangladesh Department of Bioengineering University of California Riverside 92507 CA United States BioMedical Machine Learning Lab The Graduate School of Biomedical Engineering The University of New South Wales (UNSW Sydney) Sydney NSW 2052 Australia UNSW Data Science Hub UNSW Sydney Sydney NSW 2052 Australia Health Data Analytics Program AI-enabled Processes Research Centre Macquarie University Sydney 2109 Australia Institute for Integrated and Intelligent Systems Griffith University Brisbane Australia Laboratory for Medical Science Mathematics RIKEN Center for Integrative Medical Sciences Yokohama 230-0045 Japan Department of Computer Science Rutgers University Camden 08102 NJ United States

The use of therapeutic peptides for the treatment of cancer has received tremendous attention in recent years. Anticancer peptides (ACPs) are considered new anticancer drugs which have several advantages over chemistry-based drugs including high specificity, strong tumor penetration capacity, and low toxicity level for normal cells. Due to the rise of experimentally verified bioactive peptides, several in silico approaches became imperative for the investigation of the characteristics of ACPs. In this paper, we proposed a new machine learning tool named iACP-RF that uses a combination of several sequence-based features and an ensemble of three heterogeneously trained Random Forest classifiers to accurately predict anticancer peptides. Experimental results show that our proposed model achieves an accuracy of 75.9% which outperforms other state-of-the-art methods by a significant margin. We also achieve 0.52, 75.6%, and 76.2% in terms of Matthews Correlation Coefficient (MCC), Sensitivity, and Specificity, respectively. iACP-RF as a standalone tool and its source code are publicly available at: https://***/MLBC-lab/iACP-RF. © 2023 The Authors

关键词： Anticancer peptides Ensemble learning Feature extraction Heterogeneous classifiers Machine learning Random Forest

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