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CellBiAge: Improved single-cell age classification using data binarization

Cell Reports 2023年第12期42卷 113500页

作者： Yu, Doudou Li, Manlin Linghu, Guanjie Hu, Yihuan Hajdarovic, Kaitlyn H. Wang, An Singh, Ritambhara Webb, Ashley E. Molecular Biology Cell Biology and Biochemistry Graduate Program Brown University Providence 02912 RI United States Data Science Institute Brown University Providence 02912 RI United States Neuroscience Graduate Program Brown University Providence 02912 RI United States Department of Applied Mathematics & Statistics Johns Hopkins University Baltimore 21218 MD United States Department of Computer Science Brown University Providence 02912 RI United States Center for Computational Molecular Biology Brown University Providence 02912 RI United States Department of Molecular Biology Cell Biology and Biochemistry Brown University Providence 02912 RI United States Center on the Biology of Aging Brown University Providence 02912 RI United States Carney Institute for Brain Science Brown University Providence 02912 RI United States Center for Translational Neuroscience Brown University Providence 02912 RI United States

Aging is a major risk factor for many diseases. Accurate methods for predicting age in specific cell types are essential to understand the heterogeneity of aging and to assess rejuvenation strategies. However, classifying organismal age at single-cell resolution using transcriptomics is challenging due to sparsity and noise. Here, we developed CellBiAge, a robust and easy-to-implement machine learning pipeline, to classify the age of single cells in the mouse brain using single-cell transcriptomics. We show that binarization of gene expression values for the top highly variable genes significantly improved test performance across different models, techniques, sexes, and brain regions, with potential age-related genes identified for model prediction. Additionally, we demonstrate CellBiAge's ability to capture exercise-induced rejuvenation in neural stem cells. This study provides a broadly applicable approach for robust classification of organismal age of single cells in the mouse brain, which may aid in understanding the aging process and evaluating rejuvenation methods. © 2023 The Authors

关键词： aging brain CP: Cell biology hypothalamus machine learning single-cell RNA-seq

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Functional characterization of Alzheimer’s disease genetic variants in microglia

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Nature Genetics 2023年第10期55卷 1735-1744页

作者： Yang, Xiaoyu Wen, Jia Yang, Han Jones, Ian R. Zhu, Xiaodong Liu, Weifang Li, Bingkun Clelland, Claire D. Luo, Wenjie Wong, Man Ying Ren, Xingjie Cui, Xiekui Song, Michael Liu, Hongjiang Chen, Cady Eng, Nicolas Ravichandran, Mirunalini Sun, Yang Lee, David Van Buren, Eric Jiang, Min-Zhi Chan, Candace S. Y. Ye, Chun Jimmie Perera, Rushika M. Gan, Li Li, Yun Shen, Yin Institute for Human Genetics University of California San Francisco San Francisco CA United States Department of Genetics University of North Carolina Chapel Hill NC United States Pharmaceutical Sciences and Pharmacogenomics Graduate Program University of California San Francisco San Francisco CA United States Helen and Robert Appel Alzheimer’s Disease Research Institute Feil Family Brain and Mind Research Institute Weill Cornell Medicine New York City NY United States Department of Biostatistics University of North Carolina Chapel Hill NC United States Department of Neurology University of California San Francisco San Francisco CA United States Weill Institute for Neurosciences University of California San Francisco San Francisco CA United States Department of Anatomy University of California San Francisco San Francisco CA United States Division of Rheumatology Department of Medicine University of California San Francisco San Francisco CA United States Department of Biostatistics Harvard T.H. Chan School of Public Health Boston MA United States Tetrad Graduate Program University of California San Francisco San Francisco CA United States Rosalind Russell/Ephraim P. Engleman Rheumatology Research Center University of California San Francisco San Francisco CA United States Department of Epidemiology and Biostatistics University of California San Francisco San Francisco CA United States Parker Institute for Cancer Immunotherapy San Francisco CA United States Chan Zuckerberg Biohub San Francisco CA United States Bakar Computational Health Sciences Institute University of California San Francisco San Francisco CA United States Department of Pathology University of California San Francisco San Francisco CA United States Helen Diller Family Comprehensive Cancer Center University of California San Francisco San Francisco CA United States Department of Computer Science University of North Carolina Chapel Hill NC United States

Candidate cis-regulatory elements (cCREs) in microglia demonstrate the most substantial enrichment for Alzheimer’s disease (AD) heritability compared to other brain cell types. However, whether and how these genome-wide association studies (GWAS) variants contribute to AD remain elusive. Here we prioritize 308 previously unreported AD risk variants at 181 cCREs by integrating genetic information with microglia-specific 3D epigenome annotation. We further establish the link between functional variants and target genes by single-cell CRISPRi screening in microglia. In addition, we show that AD variants exhibit allelic imbalance on target gene expression. In particular, rs7922621 is the effective variant in controlling TSPAN14 expression among other nominated variants in the same cCRE and exerts multiple physiological effects including reduced cell surface ADAM10 and altered soluble TREM2 (sTREM2) shedding. Our work represents a systematic approach to prioritize and characterize AD-associated variants and provides a roadmap for advancing genetic association to experimentally validated cell-type-specific phenotypes and mechanisms. © 2023, The Author(s), under exclusive licence to Springer Nature America, Inc.

关键词： Epigenomics Functional genomics

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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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Homogenisation for the monodomain model in the presence of microscopic fibrotic structures

arXiv

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arXiv 2020年

作者： Lawson, Brodie A.J. dos Santos, Rodrigo Weber Turner, Ian W. Bueno-Orovio, Alfonso Burrage, Pamela Burrage, Kevin Centre for Data Science Queensland University of Technology QLD Australia ARC Centre of Excellence for Mathematical and Statistical Frontiers Queensland University of Technology QLD Australia Graduate Program on Computational Modeling Universidade de Juiz de Fora Minas Gerais Brazil Department of Computer Science University of Oxford Oxfordshire United Kingdom

MSC Codes 35B27computational models in cardiac electrophysiology are notorious for long runtimes, restricting the numbers of nodes and mesh elements in the numerical discretisations used for their solution. This makes it particularly challenging to incorporate structural heterogeneities on small spatial scales, preventing a full understanding of the critical arrhythmogenic effects of conditions such as cardiac fibrosis. In this work, we explore the technique of homogenisation by volume averaging for the inclusion of non-conductive micro-structures into larger-scale cardiac meshes with minor computational overhead. Importantly, our approach is not restricted to periodic patterns, enabling homogenised models to represent, for example, the intricate patterns of collagen deposition present in different types of fibrosis. We first highlight the importance of appropriate boundary condition choice for the closure problems that define the parameters of homogenised models. Then, we demonstrate the technique’s ability to correctly upscale the effects of fibrotic patterns with a spatial resolution of 10 µm into much larger numerical mesh sizes of 100-250 µm. The homogenised models using these coarser meshes correctly predict critical pro-arrhythmic effects of fibrosis, including slowed conduction, source/sink mismatch, and stabilisation of re-entrant activation patterns. As such, this approach to homogenisation represents a significant step towards whole organ simulations that unravel the effects of microscopic cardiac tissue heterogeneities. © 2020, CC BY.

关键词： Heart

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Stochastic Petri Net Models for the Study of Macrophage Reprogramming

Stochastic Petri Net Models for the Study of Macrophage Repr...

引用

IEEE International Conference on Bioinformatics and Biomedicine

作者： Elvis H. Ribeiro Alexandre B. Pigozzo Carolina R. Xavier Rodrigo W. dos Santos Marcelo Lobosco Department of Computer Science Federal University of Sao Joao Del Rei Graduate Program in Computational Modeling Federal University of Juiz de Fora

ISBN: (纸本)9781728118680

In recent years, Petri nets are being used for modeling complex biological systems. Examples include the modeling of biochemical reactions, protein interaction networks, gene regulation networks and the immune system. In this work, Petri nets are used to model the innate immune response to a bacterial infection. The objective of this work is to study how changes in macrophage phenotype impact the regulation and resolution of the immune response. From simulations performed, we have observed that the conversion between a M1 proinflammatory phenotype to a M2 regulatory phenotype during an inflammatory response is an important process to avoid a state of persistent inflammation.

关键词： stochastic Petri net innate immune response macrophage reprogramming chronic inflammation Petri nets Innate Immune Response Chronic inflammation Macrophages reprogramming Inflammatory Response modeling Immune System

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Physical distancing evaluation for classroom layout management during COVID-19 pandemic era

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AIP Conference Proceedings 2022年第1期2472卷

作者： Mohd Kamal Mohd Nawawi Ruzelan Khalid Aida Mauziah Benjamin Antoni Wibowo Amalia Zahra 1Institute of Strategic Industrial Decision Modeling School of Quantitative Sciences Universiti Utara Malaysia 06010 UUM Sintok Kedah Malaysia 2Computer Science Department Binus Graduate Program - Master of Computer Science Bina Nusantara University Jakarta Indonesia 11480

Mass gathering has been identified as one of the causes of fast-spreading of COVID-19. Physical distancing practices and large gathering control in Malaysia and all over the world are likely to be continued until the end of the year, even after Movement Control Order (MCO) has been lifted. This has imposed event organizers to redesign their events into virtual events where attendees are to stay at their houses and meet with the host and other attendees virtually. However, certain types of educational events or activities such as practical and hands-on classes are not to be virtually conducted as it by nature carries a competency for the students. This paper evaluates the standard classroom layout by comparing with optimal layout based on circle packing problem (CPP) solution. CPP solution is used to optimize the physical distancing-constrained for the student seat layout as in it happens in real life. The findings can provide an effective exit strategy for Malaysia to deal with this COVID-19 pandemic or other pandemics in the future.

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Parallelized GPU Code of City-Level Large Eddy Simulation

Parallelized GPU Code of City-Level Large Eddy Simulation

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International Symposium on Parallel and Distributed Computing

作者： Daisuke Tsuji Taisuke Boku Ryosaku Ikeda Takuto Sato Hiroto Tadano Hiroyuki Kusaka Department of Computer Science University of Tsukuba Center for Computational Sciences University of Tsukuba Weathernews Inc. (current affiliation) Doctoral Program in Geoenvironmental Sciences Graduate School of Life and Environmental Sciences University of Tsukuba

ISBN: (数字)9781728189468

ISBN: (纸本)9781728189475

In this paper, we describe the GPU implementation of our City-LES code, which is developed at the Center for computational sciences (CCS), University of Tsukuba for detailed large eddy simulations, including surface conditions such as buildings, surface materials, and sunlight effect Wefocus on the 1) performance comparison between CUDA and OpenACC, and 2) how to reduce the data exchange between CPU and GPU memories. Using a number of GPU devices of NVIDIA Tesla V 100, we found that the current OpenACC compiler by PGI can achieve a comparable performance with CUDA in the main part of the LES calculation. We also apply OpenACC aggressively even for performances that are lower than that of a CPU to avoid data copying between the GPU and CPU, encapsulating all the data only on the GPU memory. In our optimized OpenACC (partially in CUDA) code, the results show that the performance of the full GPU version of code is doubled, and most of the GPU-CPU data copying is removed from the original GPU code. For the scaling performance test, a full GPU version achieves a 4. 7 x to 10x performance of the CPU version; this is done on a GPU cluster Cygnus at CCS, where each node is equipped with two Intel Xeon CPUs and four NVIDIA Tesla V100 GPUs, with strong scaling up to 32 nodes with 128 GPUs. For weak scaling, the full GPU version achieves a performance of more than 9x that of the CPU version for up to 32 nodes with 128 GPUs of parallel execution.

关键词： Hafnium Distributed computing

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Exponential acceleration of macroscopic quantum tunneling in a Floquet Ising model

arXiv

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arXiv 2023年

作者： Grattan, George Barton, Brandon A. Feeney, Sean Mossi, Gianni Patnaik, Pratik Sagal, Jacob C. Carr, Lincoln D. Oganesyan, Vadim Kapit, Eliot Quantum Engineering Program Colorado School of Mines 1523 Illinois St CO Golden80401 United States Department of Computer Science Colorado School of Mines 1500 Illinois St CO Golden80401 United States Department of Applied Mathematics and Statistics Colorado School of Mines 1500 Illinois St CO Golden80401 United States Department of Physics Colorado School of Mines 1523 Illinois St CO Golden80401 United States KBR Inc. 601 Jefferson St. HoustonTX77002 United States NASA Ames Research Center Moffett FieldCA94035 United States Department of Physics and Astronomy College of Staten Island CUNY Staten IslandNY10314 United States Physics program and Initiative for the Theoretical Sciences The Graduate Center CUNY New YorkNY10016 United States Center for Computational Quantum Physics Flatiron Institute 162 5th Avenue New YorkNY10010 United States

The exponential suppression of macroscopic quantum tunneling (MQT) in the number of elements to be reconfigured is an essential element of broken symmetry phases. Slow MQT is also a core bottleneck in quantum algorithms, such as traversing an energy landscape in optimization, and adiabatic state preparation more generally. In this work, we demonstrate the possibility to accelerate MQT through Floquet engineering with the application of a uniform, high frequency transverse drive field. Using the ferromagnetic phase of the transverse field Ising model in one and two dimensions as a prototypical example, we identify three qualitatively distinct regimes as a function of drive strength: (i) for weak drive, the system exhibits exponentially slow MQT alongside robust magnetic order, as expected;(ii) at intermediate drive strength, we find polynomial decay of rates alongside vanishing magnetic order consistent with critical or paramagnetic state;(iii) at very strong drive strengths both the tunnelling rate and time-averaged magnetic order remain finite with increasing system size. We support these claims with extensive full wavefunction and matrix-product state numerical simulations, and theoretical analysis. An experimental test of these results presents a technologically important and novel scientific question accessible on NISQ-era quantum computers. © 2023, CC BY.

关键词： Ising model

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Phase transitions in the frustrated Ising ladder with stoquastic and nonstoquastic catalysts

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Physical Review Research 2021年第4期3卷 043013-043013页

作者： Kabuki Takada Shigetoshi Sota Seiji Yunoki Bibek Pokharel Hidetoshi Nishimori Daniel A. Lidar Department of Physics Tokyo Institute of Technology Yokohama Kanagawa 226-8503 Japan Computational Materials Science Research Team RIKEN Center for Computational Science (R-CCS) Kobe Hyogo 650-0047 Japan Computational Condensed Matter Physics Laboratory RIKEN Cluster for Pioneering Research (CPR) Wako Saitama 351-0198 Japan Computational Quantum Matter Research Team RIKEN Center for Emergent Matter Science (CEMS) Wako Saitama 351-0198 Japan Department of Physics University of Southern California Los Angeles California 90089 USA Center for Quantum Information Science & Technology University of Southern California Los Angeles California 90089 USA Institute of Innovative Research Tokyo Institute of Technology Yokohama Kanagawa 226-8503 Japan Graduate School of Information Sciences Tohoku University Sendai Miyagi 980-8579 Japan RIKEN Interdisciplinary Theoretical and Mathematical Sciences Program (iTHEMS) Wako Saitama 351-0198 Japan Department of Electrical & Computer Engineering and Department of Chemistry University of Southern California Los Angeles California 90089 USA

The role of nonstoquasticity in the field of quantum annealing and adiabatic quantum computing is an actively debated topic. We study a strongly-frustrated quasi-one-dimensional quantum Ising model on a two-leg ladder to elucidate how a first-order phase transition with a topological origin is affected by interactions of the ±XX-type. Such interactions are sometimes known as stoquastic (negative sign) and nonstoquastic (positive sign) “catalysts”. Carrying out a symmetry-preserving real-space renormalization group analysis and extensive density-matrix renormalization group computations, we show that the phase diagrams obtained by these two methods are in qualitative agreement with each other and reveal that the first-order quantum phase transition of a topological nature remains stable against the introduction of both XX-type catalysts. This is the first study of the effects of nonstoquasticity on a first-order phase transition between topologically distinct phases. Our results indicate that nonstoquastic catalysts are generally insufficient for removing topological obstacles in quantum annealing and adiabatic quantum computing.

关键词： Adiabatic quantum optimization Phase transitions by order Quantum spin models Density matrix renormalization group Renormalization group

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Fast, accurate, and versatile data analysis platform for the quantification of molecular spatiotemporal signals

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Cell 2025年第10期188卷 2794-2809.e21页

作者： Mi, Xuelong Chen, Alex Bo-Yuan Duarte, Daniela Carey, Erin Taylor, Charlotte R. Braaker, Philipp N. Bright, Mark Almeida, Rafael G. Lim, Jing-Xuan Ruetten, Virginia M.S. Wang, Yizhi Wang, Mengfan Zhang, Weizhan Zheng, Wei Reitman, Michael E. Huang, Yongkang Wang, Xiaoyu Li, Lei Deng, HanFei Shi, Song-Hai Poskanzer, Kira E. Lyons, David A. Nimmerjahn, Axel Ahrens, Misha B. Yu, Guoqiang Bradley Department of Electrical and Computer Engineering Virginia Polytechnic Institute and State University Arlington 22203 VA United States Janelia Research Campus Howard Hughes Medical Institute Ashburn 20147 VA United States Department of Molecular and Cellular Biology Harvard University Cambridge 02138 MA United States Graduate Program in Neuroscience Harvard Medical School Boston 02115 MA United States Waitt Advanced Biophotonics Center The Salk Institute for Biological Studies La Jolla 92037 CA United States Department of Biochemistry & Biophysics University of California San Francisco San Francisco CA United States Neuroscience Graduate Program University of California San Francisco San Francisco CA United States Centre for Discovery Brain Sciences University of Edinburgh Edinburgh BioQuarter Edinburgh EH16 4SB United Kingdom Gatsby Computational Neuroscience Unit UCL London W1T 4JG United Kingdom Kavli Institute for Fundamental Neuroscience San Francisco CA United States Department of Automation Tsinghua University Beijing 100084 China IDG/McGovern Institute for Brain Research Tsinghua University Beijing 100084 China New Cornerstone Science Laboratory Tsinghua-Peking Center for Life Sciences Beijing Frontier Research Center for Biological Structure School of Life Sciences Tsinghua University Beijing 100084 China State Key Laboratory of Medical Neurobiology and MOE Frontiers Center for Brain Science Institutes of Brain Science Fudan University Shanghai 200032 China Beijing National Research Center for Information Science and Technology Beijing 100084 China

Optical recording of intricate molecular dynamics is becoming an indispensable technique for biological studies, accelerated by the development of new or improved biosensors and microscopy technology. This creates major computational challenges to extract and quantify biologically meaningful spatiotemporal patterns embedded within complex and rich data sources, many of which cannot be captured with existing methods. Here, we introduce activity quantification and analysis (AQuA2), a fast, accurate, and versatile data analysis platform built upon advanced machine-learning techniques. It decomposes complex live-imaging-based datasets into elementary signaling events, allowing accurate and unbiased quantification of molecular activities and identification of consensus functional units. We demonstrate applications across a wide range of biosensors, cell types, organs, animal models, microscopy techniques, and imaging approaches. As exemplar findings, we show how AQuA2 identified drug-dependent interactions between neurons and astroglia, as well as distinct sensorimotor signal propagation patterns in the mouse spinal cord. © 2025 The Author(s)

关键词： AQuA2 astrocytes cell interaction analysis functional units glial cells image analysis machine learning molecular spatiotemporal signals neurons time-lapse imaging

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