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arXiv 2025年

作者： Sharma, Pallavi Urrea-Quintero, Jorge-Humberto Bogdan, Bogdan Ciotec, Adrian-Dumitru Vasilie, Laura Wessels, Henning Skull, Matteo Porsche Engineering Etzelstraße 1 Bietigheim-Bissingen74321 Germany Graduate Program Computational Sciences in Engineering Technische Universität Braunschweig Braunschweig Germany Fraunhofer Institute for Energy Economics and Energy System Technology Joseph-Beuys-Straße 8 Kassel34117 Germany Institute of Applied Mechanics Division Data-Driven Modeling of Mechanical Systems Technische Universität Braunschweig Pockelsstraße 3 Braunschweig38106 Germany

This work proposes variational autoencoders (VAEs) to predict a vehicle’s jerk from a given torque demand, addressing the limitations of sparse real-world datasets. Specifically, we implement unconditional and conditional VAEs to generate jerk signals that integrate features from different drivetrain scenarios. The VAEs are trained on experimental data collected from two variants of a fully electric SUV, which differ in maximum torque delivery and drivetrain configuration. New meaningful jerk signals are generated within an engineering context through the interpretation of the VAE’s latent space. A performance comparison with baseline physics-based and hybrid models confirms the effectiveness of the VAEs. We show that VAEs bypass the need for exhaustive manual system parametrization while maintaining physical plausibility by conditioning data generation on specific inputs. © 2025, CC BY.

关键词： Signal encoding

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Noncovalent Lasso Entanglements are Common in Experimentally Derived Intrinsically Disordered Protein Ensembles and Strongly Influenced by Protein Length and Charge

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Journal of Physical Chemistry B 2025年 2025 May 3页

作者： Vu, Quyen V. Sitarik, Ian Li, Mai Suan O’Brien, Edward P. Department of Chemistry Pennsylvania State University University ParkPA16802 United States Institute of Physics Polish Academy of Sciences Al. Lotnikow 32/46 Warsaw02-668 Poland Institute for Computational Sciences and Technology Quang Trung Software City Tan Chanh Hiep Ward District 12 Ho Chi Minh City510000 Viet Nam Institute for Computational and Data Sciences Pennsylvania State University University ParkPA16802 United States Bioinformatics and Genomics Graduate Program The Huck Institutes of the Life Sciences Pennsylvania State University University ParkPA16802 United States

Noncovalent lasso entanglements are conformations in which a protein backbone segment forms a loop closed by noncovalent interactions and that loop is threaded one or more times by either the N- or C-terminal segment of the backbone or both. While these entanglements are common in globular proteins, their presence in intrinsically disordered proteins or regions (IDPs/IDRs) remains largely unexplored. Here, we examine whether IDPs/IDRs in their monomeric form populate these conformations and how sequence length and charge composition influence entanglement prevalence. Using experimentally derived IDP/IDR ensembles from the Protein Ensemble database, we find that 48% (199 of 416) of its entries contain subpopulations with entangled conformations, with 25% of entries having conformational ensembles in which 50% or more are entangled. This includes IDPs such as nuclear pore complex protein Nup153, nonstructural protein V of Hendra virus, and Eukaryotic initiation factor 4F subunit p150. Using molecular simulations, we find that (i) entanglements are most prevalent in weak polyampholytes and polyelectrolytes, and strong polyampholytes but rare in strong polyelectrolytes;(ii) entanglement populations increase with IDP length;(iii) entanglement probability positively correlates with chain compaction;and (iv) most IDPs/IDRs in the human proteome exhibit entangled conformations. A GO enrichment analysis reveals that the entanglement probability correlates with IDP/IDR function and subcellular localization. Thus, these findings indicate that noncovalent lasso entanglements are a widespread structural feature of IDPs/IDRs and have the potential to be biologically relevant. © 2025 American Chemical Society.

关键词： Quantum entanglement

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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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Assessing Rice Phenological Features with Hyperspectral Imaging Insights from Earth Surface Mineral Dust Source Investigation (EMIT)

Assessing Rice Phenological Features with Hyperspectral Imag...

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IEEE International Symposium on Geoscience and Remote Sensing (IGARSS)

作者： Shahryar Fazli Wenzhao Li Surendra Maharjan Hesham El Askary Computational and Data Sciences Graduate Program Schmid College of Science and Technology Chapman University Orange CA USA Earth Systems Science and Data Solutions Lab Chapman University Orange CA USA Department of Environmental Sciences Faculty of Science Alexandria University Alexandria Egypt

ISBN: (数字)9798350360325

ISBN: (纸本)9798350360332

In California's Central Valley, water management and crop health, particularly in rice cultivation, are critical. This paper details the application of Earth surface Mineral dust source InvesTigation (EMIT) hyperspectral imaging, specifically employing Spectral Correlation Mapper (SCM) and Spectral Information Divergence (SID), for precise phenological analysis. By aligning EMIT data with Hyperion satellite references, we address spectral and geographical discrepancies. Our methodology includes seasonal sampling of spectral curves to capture the phenological stages of rice. Results show a strong correlation (R 2 = 0.86) between August EMIT and Reference dataset, emphasizing EMIT's utility in enhancing agricultural practices and water efficiency in the region, and highlighting the importance of understanding rice phenology for sustainable farming.

关键词： Earth Correlation Satellites Accuracy Uncertainty Phenology Minerals

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The dynamic immune behavior of primary and metastatic ovarian carcinoma

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npj Precision Oncology 2025年第1期9卷 1-12页

作者： Stur, Elaine Peng, Fuduan Teng, Pang-Ning Bayraktar, Emine Hu, Min Corvigno, Sara Brown, David J. Lee, Sanghoon Moore, Kathleen N. Bateman, Nicholas W. Darcy, Kathleen M. Maxwell, George L. P. Conrads, Thomas Sahni, Nidhi Vázquez-García, Ignacio Shah, Sohrab P. Celestino, Joseph D. Fleming, Nicole Navin, Nicholas E. Wang, Linghua Sood, Anil K. Department of Gynecologic Oncology and Reproductive Medicine The University of Texas MD Anderson Cancer Center Houston TX United States Department of Genomic Medicine The University of Texas MD Anderson Cancer Center Houston TX United States Gynecologic Cancer Center of Excellence The Henry M. Jackson Foundation for the Advancement of Military Medicine Inc. Walter Reed National Military Medical Center Bethesda 20889 MD United States Department of Gynecologic Surgery and Obstetrics Uniformed Services University of the Health Sciences Walter Reed National Military Medical Center Bethesda MD United States Department of Genetics The University of Texas MD Anderson Cancer Center Houston TX United States Obstetrics and Gynecology Stephenson Cancer Center Stephenson Cancer Center at the University of Oklahoma Health Sciences Center/Sarah Cannon Research Institute Oklahoma City OK United States Women’s Health Integrated Research Center Women’s Service Line Inova Health System Falls Church VA United States Department of Epigenetics and Molecular Carcinogenesis The University of Texas MD Anderson Cancer Center Baylor College of Medicine Houston TX United States Department of Bioinformatics and Computational Biology The University of Texas MD Anderson Cancer Center Houston TX United States Quantitative and Computational Biosciences Program Baylor College of Medicine Houston TX United States Computational Oncology Department of Epidemiology and Biostatistics Memorial Sloan Kettering Cancer Center New York NY United States The Halvorsen Center for Computational Oncology Memorial Sloan Kettering Cancer Center Boston MA United States Irving Institute for Cancer Dynamics Columbia University Cambridge 10027 MA United States Department of Systems Biology The University of Texas MD Anderson Cancer Center Houston MA United States The James P. Allison Institute The University of Texas MD Anderson Cancer Center Houston 77030 TX United States The Institute for Data Sc

Patients with high-grade serous ovarian carcinoma (HGSC) are usually diagnosed with advanced-stage disease, and the tumors often have immunosuppressive characteristics. Together, these factors are important for disease progression, drug resistance, and mortality. In this study, we used a combination of single-cell sequencing and spatial transcriptomics to identify the molecular mechanisms that lead to immunosuppression in HGSC. Primary tumors consistently showed a more active immune microenvironment than did omental tumors. In addition, we found that untreated primary tumors were mostly populated by dysfunctional CD4 and CD8 T cells in later stages of differentiation;this, in turn, was correlated with expression changes in the interferon α and γ pathways in epithelial cells, showing that cross-communication between the epithelial and immune compartments is important for immune suppression in HGSC. These findings could have implications for the design of clinical trials with immune-modulating drugs. © The Author(s) 2025.

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SARS-CoV-2 surveillance of wastewater in small rural communities identifies lack of vaccine coverage as influence of omicron outbreak

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Water Research 2025年 283卷 123818页

作者： Solana Narum Thibault Stalder Benjamin Ridenhour Erik R. Coats Bioinformatics and Computational Biology Graduate Program (BCB) University of Idaho 875 Perimeter Drive MS 1103 Moscow ID 83844 United States Institute for Modeling Collaboration and Innovation (IMCI) University of Idaho 875 Perimeter Drive MS 1122 Moscow ID 83844 United States Department of Biological Sciences University of Idaho 875 Perimeter Drive MS 3051 Moscow ID 83844 United States Institute for Interdisciplinary Data Sciences (IIDS) University of Idaho 875 Perimeter Drive MS 3051 Moscow ID 83844 United States Department of Mathematics and Statistical Science University of Idaho 875 Perimeter Drive MS 1103 Moscow ID 83844 United States Department of Civil and Environmental Engineering University of Idaho 875 Perimeter Drive MS 1022 Moscow ID 83844 United States

Wastewater-based epidemiology (WBE) can provide critical early warnings to aid public health, which can be particularly beneficial in rural communities with limited access to health care. Spikes of SARS-CoV-2 RNA concentration in wastewater have been used to represent infections in a community, but wastewater holds a wealth of information that has not been explored yet. The objectives of this research were to expand the use of WBE to 1) determine the dynamic of SARS-CoV-2 variants in rural communities, and 2) evaluate the relationship between community vaccination status and the outbreak of a variant. We quantified the concentration of SARS-CoV-2 RNA, as well as specific mutations that are consistent with Delta and Omicron in influent raw wastewater samples collected from wastewater treatment facilities (WWTFs) for five populations with <1000 residents and one larger population in Latah County, ID. A binomial generalized linear model using the percent of the population with protection against Omicron from the initial vaccines and the booster shot was able to predict the probability of an uptick in Omicron concentration in wastewater with an accuracy of 0.96. Evaluation of vaccination data indicate that the spike in Omicron infections in December 2021 in the studied towns was linked to low levels of population protection from the initial shots of the COVID-19 vaccine against Omicron infection and limited uptake of booster shots in these communities. Despite difficulties with applying WBE in rural regions, this study shows that beyond evaluating spikes of viral infections, WBE can be used to evaluate the effect of a population’s vaccine coverage on SARS-CoV-2 variant dynamics.

关键词： COVID-19 Delta Modeling Omicron Population coverage Prediction

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Identify Non-mutational p53 Functional Deficiency in Human Cancers

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Genomics, Proteomics & Bioinformatics 2024年第5期22卷 85-98页

作者： Qianpeng Li Yang Zhang Sicheng Luo Zhang Zhang Ann L.Oberg David E.Kozono Hua Lu Jann N.Sarkaria Lina Ma Liguo Wang National Genomics Data Center China National Center for BioinformationBeijing 100101China Beijing Institute of Genomics Chinese Academy of SciencesBeijing 100101China University of Chinese Academy of Sciences Beijing 100049China Division of Computational Biology Mayo Clinic College of Medicine and ScienceRochesterMN 55905USA Department of Radiation Oncology Dana-Farber Cancer Institute and Brigham and Women's HospitalBostonMA 02215USA Department of Biochemistry&Molecular Biology and Tulane Cancer Center Tulane University School of MedicineNew OrleansLA 70112USA Department of Radiation Oncology Mayo Clinic College of Medicine and ScienceRochesterMN 55905USA Department of Biochemistry and Molecular Biology Mayo Clinic College of Medicine and ScienceRochesterMN 55905USA Bioinformatics and Computational Biology Graduate Program University of Minnesota RochesterRochesterMN 55904USA

An accurate assessment of p53's functional statuses is critical for cancer genomic ***,there is a significant challenge in identifying tumors with non-mutational p53 inactivation which is not detectable through DNA *** undetected cases are often misclassified as p53-normal,leading to inaccurate prognosis and downstream association *** address this issue,we built the support vector machine(SVM)models to systematically reassess p53's functional statuses in TP53 wild-type(TP53^(WT))tumors from multiple The Cancer Genome Atlas(TCGA)***-validation demonstrated the good performance of the SVM models with a mean area under the receiver operating characteristic curve(AUROC)of 0.9822,precision of 0.9747,and recall of *** study revealed that a significant proportion(87%-99%)of TP53^(WT) tumors actually had compromised p53 *** analyses uncovered that these genetically intact but functionally impaired(termed as predictively reduced function of p53 or TP53^(WT)-pRF)tumors exhibited genomic and pathophysiologic features akin to TP53-mutant tumors:heightened genomic instability and elevated levels of ***,patients with TP53^(WT)-pRF tumors experienced significantly shortened overall survival or progression-free survival compared to those with predictively normal function of p53(TP53^(WT)-pN)tumors,and these patients also displayed increased sensitivity to platinum-based chemotherapy and radiation therapy.

关键词： Cancer Composite expression DNA mutation Machine learning p53 deficiency

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Deciphering Water Quality and Algal Dynamics in Clear Lake Through Hyperspectral Analysis Using Emit data

Deciphering Water Quality and Algal Dynamics in Clear Lake T...

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IEEE International Symposium on Geoscience and Remote Sensing (IGARSS)

作者： Wenzhao Li Shahryar Fazli Surendra Maharjan Hesham El-Askary Earth Systems Science and Data Solutions Lab Schmid College of Science and Technology Chapman University Orange CA USA Computational and Data Sciences Graduate Program Schmid College of Science and Technology Chapman University Orange CA USA Department of Environmental Sciences Faculty of Science Alexandria University Alexandria Egypt

ISBN: (数字)9798350360325

ISBN: (纸本)9798350360332

This study evaluates the potential application of hyperspectral Earth Surface Mineral Dust Source Investigation (EMIT) remote sensing for monitoring harmful algal blooms (HABs) and water quality in Clear Lake, California. The research focuses on correlating the chlorophyll-a (Chl-a) concentrations with EMIT spectral signatures, using waterbody-wide statistical analysis of Chl-a and EMIT data sampling at various lake locations. Results demonstrate distinct spectral signatures associated with varying Chl-a levels, highlighting the potential of hyperspectral imaging in differentiating algae levels and assessing water quality variables. It also indicates the EMIT’s utility in filling data gaps and offering high-resolution monitoring. This study underscores the need for further research in hyperspectral imaging for aquatic ecosystems, especially under challenging atmospheric conditions, enhancing our understanding of water quality dynamics.

关键词： Satellites Statistical analysis Algae Water quality Lakes Filling Minerals

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Experimental and real-world evidence supporting the computational repurposing of bumetanide for APOE4-related Alzheimer's disease ( Oct, 10.1038/s43587-021-00122-7, 2021)

NATURE AGING

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NATURE AGING 2021年第12期1卷 1202-1202页

作者： Taubes, Alice Nova, Phil Zalocusky, Kelly A. Kosti, Idit Bicak, Mesude Zilberter, Misha Y. Hao, Yanxia Yoon, Seo Yeon Oskotsky, Tomiko Pineda, Silvia Chen, Bin Jones, Emily Aery A. Choudhary, Krishna Grone, Brian Balestra, Maureen E. Chaudhry, Fayzan Paranjpe, Ishan De Freitas, Jessica Koutsodendris, Nicole Chen, Nuo Wang, Celine Chang, William An, Alice Glicksberg, Benjamin S. Sirota, Marina Huang, Yadong Gladstone Institute of Neurological Disease Gladstone Institutes San Francisco CA USA Biomedical Sciences Graduate Program University of California San Francisco CA USA Gladstone Center for Translational Advancement Gladstone Institutes San Francisco CA USA Department of Neurology University of California San Francisco CA USA Bakar Computational Health Sciences Institute University of California San Francisco CA USA Department of Pediatrics University of California San Francisco CA USA Hasso Plattner Institute for Digital Health at Mount Sinai Icahn School of Medicine at Mount Sinai New York NY USA Department of Genetics and Genomic Sciences Icahn School of Medicine at Mount Sinai New York NY USA Department of Surgery University of California San Francisco CA USA Gladstone Institute of Data Science and Biotechnology Gladstone Institutes San Francisco CA USA Development and Stem Cell Biology Graduate Program University of California San Francisco CA USA Department of Pathology University of California San Francisco CA USA

The evident genetic, pathological and clinical heterogeneity of Alzheimer’s disease (AD) poses challenges for traditional drug development. We conducted a computational drug-repurposing screen for drugs to treat apolipoprotein E4 (APOE4)-related AD. We first established APOE genotype-dependent transcriptomic signatures of AD by analyzing publicly available human brain databases. We then queried these signatures against the Connectivity Map database, which contains transcriptomic perturbations of more than 1,300 drugs, to identify those that best reverse APOE genotype-specific AD signatures. Bumetanide was identified as a top drug for APOE4-related AD. Treatment of APOE4-knock-in mice without or with amyloid β (Aβ) accumulation using bumetanide rescued electrophysiological, pathological or cognitive deficits. Single-nucleus RNA sequencing revealed transcriptomic reversal of AD signatures in specific cell types in these mice, a finding confirmed in APOE4 induced pluripotent stem cell (iPSC)-derived neurons. In humans, bumetanide exposure was associated with a significantly lower AD prevalence in individuals over the age of 65 years in two electronic health record databases, suggesting the effectiveness of bumetanide in preventing AD.

关键词： Ageing Alzheimer's disease computational neuroscience Life sciences general

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Over the Quantum Rainbow: Explaining Hybrid Quantum Reinforcement Learning

Over the Quantum Rainbow: Explaining Hybrid Quantum Reinforc...

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Quantum Computing and Engineering (QCE), IEEE International Conference on

作者： Junghoon Park Jiook Cha Samuel Yen-Chi Chen Shinjae Yoo Huan-Hsin Tseng Interdisciplinary Program in Artificial Intelligence Seoul National University Department of Psychology Seoul National University Department of Brain and Cognitive Sciences Seoul National University Graduate School of Data Science Seoul National University Wells Fargo Computational Science Initiative Brookhaven National Laboratory

ISBN: (数字)9798331541378

ISBN: (纸本)9798331541385

In the realm of artificial intelligence, deep rein-forcement learning (RL) agents struggle with generalizability and require substantial computational resources, unlike humans who easily adapt and generalize across tasks. To address these challenges, we introduce Quantum Rainbow, a hybrid algorithm that leverages the neural mechanisms of human decision-making and the efficiency of quantum computing. Quantum Rainbow combines variational quantum circuits with the Rainbow Deep Q-Network (DQN) model to create a novel approach in rein-forcement learning that integrates quantum principles into deep learning paradigms. We evaluate our model using behavioral experiments through the Iowa Gambling Task and 4-Armed Bandit Task. Our investigations reveal a significant relationship between the architecture of quantum circuits and the performance of quantum RL agents. Specifically, using causal discovery methods, we demonstrate the critical role of quantum entanglement in enhancing model performance. These findings not only show promising results but also pave the way for future explorations into optimizing quantum circuit architectures for reinforcement learning applications. This study underscores the potential of quantum-enhanced algorithms to achieve “quantum advantage” by addressing fundamental limitations in conventional deep RL methods.

关键词： Analytical models Quantum computing Quantum algorithm Quantum advantage Quantum entanglement computational modeling Reinforcement learning Quantum state Integrated circuit modeling Quantum circuit

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