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1.
Proc Natl Acad Sci U S A ; 120(15): e2214199120, 2023 04 11.
Artículo en Inglés | MEDLINE | ID: mdl-37011195

RESUMEN

Poikilothermic animals comprise most species on Earth and are especially sensitive to changes in environmental temperatures. Species conservation in a changing climate relies upon predictions of species responses to future conditions, yet predicting species responses to climate change when temperatures exceed the bounds of observed data is fraught with challenges. We present a physiologically guided abundance (PGA) model that combines observations of species abundance and environmental conditions with laboratory-derived data on the physiological response of poikilotherms to temperature to predict species geographical distributions and abundance in response to climate change. The model incorporates uncertainty in laboratory-derived thermal response curves and provides estimates of thermal habitat suitability and extinction probability based on site-specific conditions. We show that temperature-driven changes in distributions, local extinction, and abundance of cold, cool, and warm-adapted species vary substantially when physiological information is incorporated. Notably, cold-adapted species were predicted by the PGA model to be extirpated in 61% of locations that they currently inhabit, while extirpation was never predicted by a correlative niche model. Failure to account for species-specific physiological constraints could lead to unrealistic predictions under a warming climate, including underestimates of local extirpation for cold-adapted species near the edges of their climate niche space and overoptimistic predictions of warm-adapted species.


Asunto(s)
Cambio Climático , Peces , Animales , Peces/fisiología , Temperatura , Ecosistema , Frío
2.
Brief Bioinform ; 24(1)2023 01 19.
Artículo en Inglés | MEDLINE | ID: mdl-36502428

RESUMEN

At present, the study on the pathogenesis of Alzheimer's disease (AD) by multimodal data fusion analysis has been attracted wide attention. It often has the problems of small sample size and high dimension with the multimodal medical data. In view of the characteristics of multimodal medical data, the existing genetic evolution random neural network cluster (GERNNC) model combine genetic evolution algorithm and neural network for the classification of AD patients and the extraction of pathogenic factors. However, the model does not take into account the non-linear relationship between brain regions and genes and the problem that the genetic evolution algorithm can fall into local optimal solutions, which leads to the overall performance of the model is not satisfactory. In order to solve the above two problems, this paper made some improvements on the construction of fusion features and genetic evolution algorithm in GERNNC model, and proposed an improved genetic evolution random neural network cluster (IGERNNC) model. The IGERNNC model uses mutual information correlation analysis method to combine resting-state functional magnetic resonance imaging data with single nucleotide polymorphism data for the construction of fusion features. Based on the traditional genetic evolution algorithm, elite retention strategy and large variation genetic algorithm are added to avoid the model falling into the local optimal solution. Through multiple independent experimental comparisons, the IGERNNC model can more effectively identify AD patients and extract relevant pathogenic factors, which is expected to become an effective tool in the field of AD research.


Asunto(s)
Enfermedad de Alzheimer , Imagen por Resonancia Magnética , Humanos , Imagen por Resonancia Magnética/métodos , Enfermedad de Alzheimer/genética , Redes Neurales de la Computación , Algoritmos , Encéfalo/diagnóstico por imagen
3.
Brief Bioinform ; 24(3)2023 05 19.
Artículo en Inglés | MEDLINE | ID: mdl-37000166

RESUMEN

Cooperative driver pathways discovery helps researchers to study the pathogenesis of cancer. However, most discovery methods mainly focus on genomics data, and neglect the known pathway information and other related multi-omics data; thus they cannot faithfully decipher the carcinogenic process. We propose CDPMiner (Cooperative Driver Pathways Miner) to discover cooperative driver pathways by multiplex network embedding, which can jointly model relational and attribute information of multi-type molecules. CDPMiner first uses the pathway topology to quantify the weight of genes in different pathways, and optimizes the relations between genes and pathways. Then it constructs an attributed multiplex network consisting of micro RNAs, long noncoding RNAs, genes and pathways, embeds the network through deep joint matrix factorization to mine more essential information for pathway-level analysis and reconstructs the pathway interaction network. Finally, CDPMiner leverages the reconstructed network and mutation data to define the driver weight between pathways to discover cooperative driver pathways. Experimental results on Breast invasive carcinoma and Stomach adenocarcinoma datasets show that CDPMiner can effectively fuse multi-omics data to discover more driver pathways, which indeed cooperatively trigger cancers and are valuable for carcinogenesis analysis. Ablation study justifies CDPMiner for a more comprehensive analysis of cancer by fusing multi-omics data.


Asunto(s)
Algoritmos , Neoplasias de la Mama , Humanos , Femenino , Genómica/métodos , Neoplasias de la Mama/genética , Neoplasias de la Mama/metabolismo , Mutación , Carcinogénesis/genética
4.
Brief Bioinform ; 25(1)2023 11 22.
Artículo en Inglés | MEDLINE | ID: mdl-38243694

RESUMEN

The correct prediction of disease-associated miRNAs plays an essential role in disease prevention and treatment. Current computational methods to predict disease-associated miRNAs construct different miRNA views and disease views based on various miRNA properties and disease properties and then integrate the multiviews to predict the relationship between miRNAs and diseases. However, most existing methods ignore the information interaction among the views and the consistency of miRNA features (disease features) across multiple views. This study proposes a computational method based on multiple hypergraph contrastive learning (MHCLMDA) to predict miRNA-disease associations. MHCLMDA first constructs multiple miRNA hypergraphs and disease hypergraphs based on various miRNA similarities and disease similarities and performs hypergraph convolution on each hypergraph to capture higher order interactions between nodes, followed by hypergraph contrastive learning to learn the consistent miRNA feature representation and disease feature representation under different views. Then, a variational auto-encoder is employed to extract the miRNA and disease features in known miRNA-disease association relationships. Finally, MHCLMDA fuses the miRNA and disease features from different views to predict miRNA-disease associations. The parameters of the model are optimized in an end-to-end way. We applied MHCLMDA to the prediction of human miRNA-disease association. The experimental results show that our method performs better than several other state-of-the-art methods in terms of the area under the receiver operating characteristic curve and the area under the precision-recall curve.


Asunto(s)
MicroARNs , Humanos , MicroARNs/genética , Algoritmos , Biología Computacional/métodos , Curva ROC
5.
Proc Natl Acad Sci U S A ; 119(38): e2202113119, 2022 09 20.
Artículo en Inglés | MEDLINE | ID: mdl-36095183

RESUMEN

We propose a method for supervised learning with multiple sets of features ("views"). The multiview problem is especially important in biology and medicine, where "-omics" data, such as genomics, proteomics, and radiomics, are measured on a common set of samples. "Cooperative learning" combines the usual squared-error loss of predictions with an "agreement" penalty to encourage the predictions from different data views to agree. By varying the weight of the agreement penalty, we get a continuum of solutions that include the well-known early and late fusion approaches. Cooperative learning chooses the degree of agreement (or fusion) in an adaptive manner, using a validation set or cross-validation to estimate test set prediction error. One version of our fitting procedure is modular, where one can choose different fitting mechanisms (e.g., lasso, random forests, boosting, or neural networks) appropriate for different data views. In the setting of cooperative regularized linear regression, the method combines the lasso penalty with the agreement penalty, yielding feature sparsity. The method can be especially powerful when the different data views share some underlying relationship in their signals that can be exploited to boost the signals. We show that cooperative learning achieves higher predictive accuracy on simulated data and real multiomics examples of labor-onset prediction. By leveraging aligned signals and allowing flexible fitting mechanisms for different modalities, cooperative learning offers a powerful approach to multiomics data fusion.


Asunto(s)
Genómica , Redes Neurales de la Computación , Aprendizaje Automático Supervisado , Genómica/métodos
6.
BMC Bioinformatics ; 25(1): 69, 2024 Feb 14.
Artículo en Inglés | MEDLINE | ID: mdl-38350879

RESUMEN

BACKGROUND: Technological advances have enabled the generation of unique and complementary types of data or views (e.g. genomics, proteomics, metabolomics) and opened up a new era in multiview learning research with the potential to lead to new biomedical discoveries. RESULTS: We propose iDeepViewLearn (Interpretable Deep Learning Method for Multiview Learning) to learn nonlinear relationships in data from multiple views while achieving feature selection. iDeepViewLearn combines deep learning flexibility with the statistical benefits of data and knowledge-driven feature selection, giving interpretable results. Deep neural networks are used to learn view-independent low-dimensional embedding through an optimization problem that minimizes the difference between observed and reconstructed data, while imposing a regularization penalty on the reconstructed data. The normalized Laplacian of a graph is used to model bilateral relationships between variables in each view, therefore, encouraging selection of related variables. iDeepViewLearn is tested on simulated and three real-world data for classification, clustering, and reconstruction tasks. For the classification tasks, iDeepViewLearn had competitive classification results with state-of-the-art methods in various settings. For the clustering task, we detected molecular clusters that differed in their 10-year survival rates for breast cancer. For the reconstruction task, we were able to reconstruct handwritten images using a few pixels while achieving competitive classification accuracy. The results of our real data application and simulations with small to moderate sample sizes suggest that iDeepViewLearn may be a useful method for small-sample-size problems compared to other deep learning methods for multiview learning. CONCLUSION: iDeepViewLearn is an innovative deep learning model capable of capturing nonlinear relationships between data from multiple views while achieving feature selection. It is fully open source and is freely available at https://github.com/lasandrall/iDeepViewLearn .


Asunto(s)
Aprendizaje Profundo , Análisis por Conglomerados , Genómica , Conocimiento , Metabolómica
7.
Brief Bioinform ; 23(4)2022 07 18.
Artículo en Inglés | MEDLINE | ID: mdl-35679533

RESUMEN

Patient similarity networks (PSNs), where patients are represented as nodes and their similarities as weighted edges, are being increasingly used in clinical research. These networks provide an insightful summary of the relationships among patients and can be exploited by inductive or transductive learning algorithms for the prediction of patient outcome, phenotype and disease risk. PSNs can also be easily visualized, thus offering a natural way to inspect complex heterogeneous patient data and providing some level of explainability of the predictions obtained by machine learning algorithms. The advent of high-throughput technologies, enabling us to acquire high-dimensional views of the same patients (e.g. omics data, laboratory data, imaging data), calls for the development of data fusion techniques for PSNs in order to leverage this rich heterogeneous information. In this article, we review existing methods for integrating multiple biomedical data views to construct PSNs, together with the different patient similarity measures that have been proposed. We also review methods that have appeared in the machine learning literature but have not yet been applied to PSNs, thus providing a resource to navigate the vast machine learning literature existing on this topic. In particular, we focus on methods that could be used to integrate very heterogeneous datasets, including multi-omics data as well as data derived from clinical information and medical imaging.


Asunto(s)
Algoritmos , Aprendizaje Automático
8.
Brief Bioinform ; 23(6)2022 11 19.
Artículo en Inglés | MEDLINE | ID: mdl-36242566

RESUMEN

MOTIVATION: Discovering the drug-target interactions (DTIs) is a crucial step in drug development such as the identification of drug side effects and drug repositioning. Since identifying DTIs by web-biological experiments is time-consuming and costly, many computational-based approaches have been proposed and have become an efficient manner to infer the potential interactions. Although extensive effort is invested to solve this task, the prediction accuracy still needs to be improved. More especially, heterogeneous network-based approaches do not fully consider the complex structure and rich semantic information in these heterogeneous networks. Therefore, it is still a challenge to predict DTIs efficiently. RESULTS: In this study, we develop a novel method via Multiview heterogeneous information network embedding with Hierarchical Attention mechanisms to discover potential Drug-Target Interactions (MHADTI). Firstly, MHADTI constructs different similarity networks for drugs and targets by utilizing their multisource information. Combined with the known DTI network, three drug-target heterogeneous information networks (HINs) with different views are established. Secondly, MHADTI learns embeddings of drugs and targets from multiview HINs with hierarchical attention mechanisms, which include the node-level, semantic-level and graph-level attentions. Lastly, MHADTI employs the multilayer perceptron to predict DTIs with the learned deep feature representations. The hierarchical attention mechanisms could fully consider the importance of nodes, meta-paths and graphs in learning the feature representations of drugs and targets, which makes their embeddings more comprehensively. Extensive experimental results demonstrate that MHADTI performs better than other SOTA prediction models. Moreover, analysis of prediction results for some interested drugs and targets further indicates that MHADTI has advantages in discovering DTIs. AVAILABILITY AND IMPLEMENTATION: https://github.com/pxystudy/MHADTI.


Asunto(s)
Reposicionamiento de Medicamentos , Redes Neurales de la Computación , Interacciones Farmacológicas , Desarrollo de Medicamentos , Servicios de Información
9.
Brief Bioinform ; 23(6)2022 11 19.
Artículo en Inglés | MEDLINE | ID: mdl-36094095

RESUMEN

MicroRNAs (miRNAs) are gene regulators involved in the pathogenesis of complex diseases such as cancers, and thus serve as potential diagnostic markers and therapeutic targets. The prerequisite for designing effective miRNA therapies is accurate discovery of miRNA-disease associations (MDAs), which has attracted substantial research interests during the last 15 years, as reflected by more than 55 000 related entries available on PubMed. Abundant experimental data gathered from the wealth of literature could effectively support the development of computational models for predicting novel associations. In 2017, Chen et al. published the first-ever comprehensive review on MDA prediction, presenting various relevant databases, 20 representative computational models, and suggestions for building more powerful ones. In the current review, as the continuation of the previous study, we revisit miRNA biogenesis, detection techniques and functions; summarize recent experimental findings related to common miRNA-associated diseases; introduce recent updates of miRNA-relevant databases and novel database releases since 2017, present mainstream webservers and new webserver releases since 2017 and finally elaborate on how fusion of diverse data sources has contributed to accurate MDA prediction.


Asunto(s)
MicroARNs , Neoplasias , Humanos , MicroARNs/genética , Bases de Datos Genéticas , Neoplasias/genética , PubMed , Biología Computacional/métodos , Predisposición Genética a la Enfermedad , Algoritmos
10.
Glob Chang Biol ; 30(5): e17287, 2024 May.
Artículo en Inglés | MEDLINE | ID: mdl-38695768

RESUMEN

While droughts predominantly induce immediate reductions in plant carbon uptake, they can also exert long-lasting effects on carbon fluxes through associated changes in leaf area, soil carbon, etc. Among other mechanisms, shifts in carbon allocation due to water stress can contribute to the legacy effects of drought on carbon fluxes. However, the magnitude and impact of these allocation shifts on carbon fluxes and pools remain poorly understood. Using data from a wet tropical flux tower site in French Guiana, we demonstrate that drought-induced carbon allocation shifts can be reliably inferred by assimilating Net Biosphere Exchange (NBE) and other observations within the CARbon DAta MOdel fraMework. This model-data fusion system allows inference of optimized carbon and water cycle parameters and states from multiple observational data streams. We then examined how these inferred shifts affected the duration and magnitude of drought's impact on NBE during and after the extreme event. Compared to a static allocation scheme analogous to those typically implemented in land surface models, dynamic allocation reduced average carbon uptake during drought recovery by a factor of 2.8. Additionally, the dynamic model extended the average recovery time by 5 months. The inferred allocation shifts influenced the post-drought period by altering foliage and fine root pools, which in turn modulated gross primary productivity and heterotrophic respiration for up to a decade. These changes can create a bust-boom cycle where carbon uptake is enhanced some years after a drought, compared to what would have occurred under drought-free conditions. Overall, allocation shifts accounted for 65% [45%-75%] of drought legacy effects in modeled NBE. In summary, drought-induced carbon allocation shifts can play a substantial role in the enduring influence of drought on cumulative land-atmosphere CO2 exchanges and should be accounted for in ecosystem models.


Asunto(s)
Ciclo del Carbono , Sequías , Clima Tropical , Guyana Francesa , Bosques , Carbono/metabolismo , Modelos Teóricos
11.
Respir Res ; 25(1): 167, 2024 Apr 18.
Artículo en Inglés | MEDLINE | ID: mdl-38637823

RESUMEN

BACKGROUND: Chronic obstructive pulmonary disease (COPD) is a frequently diagnosed yet treatable condition, provided it is identified early and managed effectively. This study aims to develop an advanced COPD diagnostic model by integrating deep learning and radiomics features. METHODS: We utilized a dataset comprising CT images from 2,983 participants, of which 2,317 participants also provided epidemiological data through questionnaires. Deep learning features were extracted using a Variational Autoencoder, and radiomics features were obtained using the PyRadiomics package. Multi-Layer Perceptrons were used to construct models based on deep learning and radiomics features independently, as well as a fusion model integrating both. Subsequently, epidemiological questionnaire data were incorporated to establish a more comprehensive model. The diagnostic performance of standalone models, the fusion model and the comprehensive model was evaluated and compared using metrics including accuracy, precision, recall, F1-score, Brier score, receiver operating characteristic curves, and area under the curve (AUC). RESULTS: The fusion model exhibited outstanding performance with an AUC of 0.952, surpassing the standalone models based solely on deep learning features (AUC = 0.844) or radiomics features (AUC = 0.944). Notably, the comprehensive model, incorporating deep learning features, radiomics features, and questionnaire variables demonstrated the highest diagnostic performance among all models, yielding an AUC of 0.971. CONCLUSION: We developed and implemented a data fusion strategy to construct a state-of-the-art COPD diagnostic model integrating deep learning features, radiomics features, and questionnaire variables. Our data fusion strategy proved effective, and the model can be easily deployed in clinical settings. TRIAL REGISTRATION: Not applicable. This study is NOT a clinical trial, it does not report the results of a health care intervention on human participants.


Asunto(s)
Aprendizaje Profundo , Enfermedad Pulmonar Obstructiva Crónica , Humanos , Área Bajo la Curva , Redes Neurales de la Computación , Enfermedad Pulmonar Obstructiva Crónica/diagnóstico por imagen , Enfermedad Pulmonar Obstructiva Crónica/epidemiología , Curva ROC , Estudios Retrospectivos
12.
Biotechnol Bioeng ; 121(7): 2175-2192, 2024 Jul.
Artículo en Inglés | MEDLINE | ID: mdl-38613199

RESUMEN

In the era of Biopharma 4.0, process digitalization fundamentally requires accurate and timely monitoring of critical process parameters (CPPs) and quality attributes. Bioreactor systems are equipped with a variety of sensors to ensure process robustness and product quality. However, during the biphasic production of viral vectors or replication-competent viruses for gene and cell therapies and vaccination, current monitoring techniques relying on a single working sensor can be affected by the physiological state change of the cells due to infection/transduction/transfection step required to initiate production. To address this limitation, a multisensor (MS) monitoring system, which includes dual-wavelength fluorescence spectroscopy, dielectric signals, and a set of CPPs, such as oxygen uptake rate and pH control outputs, was employed to monitor the upstream process of adenovirus production in HEK293 cells in bioreactor. This system successfully identified characteristic responses to infection by comparing variations in these signals, and the correlation between signals and target critical variables was analyzed mechanistically and statistically. The predictive performance of several target CPPs using different multivariate data analysis (MVDA) methods on data from a single sensor/source or fused from multiple sensors were compared. An MS regression model can accurately predict viable cell density with a relative root mean squared error (rRMSE) as low as 8.3% regardless of the changes occurring over the infection phase. This is a significant improvement over the 12% rRMSE achieved with models based on a single source. The MS models also provide the best predictions for glucose, glutamine, lactate, and ammonium. These results demonstrate the potential of using MVDA on MS systems as a real-time monitoring approach for biphasic bioproduction processes. Yet, models based solely on the multiplicity and timing of infection outperformed both single-sensor and MS models, emphasizing the need for a deeper mechanistic understanding in virus production prediction.


Asunto(s)
Adenoviridae , Reactores Biológicos , Humanos , Células HEK293 , Reactores Biológicos/virología , Adenoviridae/genética , Análisis Multivariante , Cultivo de Virus/métodos
13.
J Theor Biol ; 586: 111816, 2024 Jun 07.
Artículo en Inglés | MEDLINE | ID: mdl-38589007

RESUMEN

Immune checkpoint therapy (ICT) has greatly improved the survival of cancer patients in the past few years, but only a small number of patients respond to ICT. To predict ICT response, we developed a multi-modal feature fusion model based on deep learning (MFMDL). This model utilizes graph neural networks to map gene-gene relationships in gene networks to low dimensional vector spaces, and then fuses biological pathway features and immune cell infiltration features to make robust predictions of ICT. We used five datasets to validate the predictive performance of the MFMDL. These five datasets span multiple types of cancer, including melanoma, lung cancer, and gastric cancer. We found that the prediction performance of multi-modal feature fusion model based on deep learning is superior to other traditional ICT biomarkers, such as ICT targets or tumor microenvironment-associated markers. In addition, we also conducted ablation experiments to demonstrate the necessity of fusing different modal features, which can improve the prediction accuracy of the model.


Asunto(s)
Aprendizaje Profundo , Neoplasias Pulmonares , Melanoma , Humanos , Inmunoterapia , Redes Reguladoras de Genes , Neoplasias Pulmonares/terapia , Microambiente Tumoral
14.
Stat Med ; 2024 Jun 18.
Artículo en Inglés | MEDLINE | ID: mdl-38890124

RESUMEN

Policymakers often require information on programs' long-term impacts that is not available when decisions are made. For example, while rigorous evidence from the Oregon Health Insurance Experiment (OHIE) shows that having health insurance influences short-term health and financial measures, the impact on long-term outcomes, such as mortality, will not be known for many years following the program's implementation. We demonstrate how data fusion methods may be used address the problem of missing final outcomes and predict long-run impacts of interventions before the requisite data are available. We implement this method by concatenating data on an intervention (such as the OHIE) with auxiliary long-term data and then imputing missing long-term outcomes using short-term surrogate outcomes while approximating uncertainty with replication methods. We use simulations to examine the performance of the methodology and apply the method in a case study. Specifically, we fuse data on the OHIE with data from the National Longitudinal Mortality Study and estimate that being eligible to apply for subsidized health insurance will lead to a statistically significant improvement in long-term mortality.

15.
Stat Med ; 43(5): 983-1002, 2024 Feb 28.
Artículo en Inglés | MEDLINE | ID: mdl-38146838

RESUMEN

With the growing commonality of multi-omics datasets, there is now increasing evidence that integrated omics profiles lead to more efficient discovery of clinically actionable biomarkers that enable better disease outcome prediction and patient stratification. Several methods exist to perform host phenotype prediction from cross-sectional, single-omics data modalities but decentralized frameworks that jointly analyze multiple time-dependent omics data to highlight the integrative and dynamic impact of repeatedly measured biomarkers are currently limited. In this article, we propose a novel Bayesian ensemble method to consolidate prediction by combining information across several longitudinal and cross-sectional omics data layers. Unlike existing frequentist paradigms, our approach enables uncertainty quantification in prediction as well as interval estimation for a variety of quantities of interest based on posterior summaries. We apply our method to four published multi-omics datasets and demonstrate that it recapitulates known biology in addition to providing novel insights while also outperforming existing methods in estimation, prediction, and uncertainty quantification. Our open-source software is publicly available at https://github.com/himelmallick/IntegratedLearner.


Asunto(s)
Multiómica , Programas Informáticos , Humanos , Teorema de Bayes , Estudios Transversales , Biomarcadores
16.
Anal Bioanal Chem ; 416(1): 175-189, 2024 Jan.
Artículo en Inglés | MEDLINE | ID: mdl-37910202

RESUMEN

Consumers have unprecedented access to botanical dietary supplements through online retailers, making it difficult to ensure product quality and authenticity. Therefore, methods to survey and compare chemical compositions across botanical products are needed. Nuclear magnetic resonance (NMR) spectroscopy and non-targeted mass spectrometry (MS) were used to chemically analyze commercial products labeled as containing one of three botanicals: blue cohosh, goldenseal, and yohimbe bark. Aqueous and organic phase extracts were prepared and analyzed in tandem with NMR followed by MS. We processed the non-targeted data using multivariate statistics to analyze the compositional similarity across extracts. In each case, there were several product outliers that were identified using principal component analysis (PCA). Evaluation of select known constituents proved useful to contextualize PCA subgroups, which in some cases supported or refuted product authenticity. The NMR and MS data reached similar conclusions independently but were also complementary.


Asunto(s)
Productos Biológicos , Caulophyllum , Hydrastis , Pausinystalia/química , Hydrastis/química , Caulophyllum/química , Corteza de la Planta/química , Cromatografía de Gases y Espectrometría de Masas , Espectrometría de Masas/métodos , Espectroscopía de Resonancia Magnética , Productos Biológicos/análisis
17.
Anal Bioanal Chem ; 416(5): 1165-1177, 2024 Feb.
Artículo en Inglés | MEDLINE | ID: mdl-38206346

RESUMEN

Data-independent acquisition-all-ion fragmentation (DIA-AIF) mode of mass spectrometry can facilitate wide-scope non-target analysis of contaminants in surface water due to comprehensive spectral identification. However, because of the complexity of the resulting MS2 AIF spectra, identifying unknown pollutants remains a significant challenge, with a significant bottleneck in translating non-targeted chemical signatures into environmental impacts. The present study proposes to process fused MS1 and MS2 data sets obtained from LC-HRMS/MS measurements in non-targeted AIF workflows on surface water samples using multivariate curve resolution-alternating least squares (MCR-ALS). This enables straightforward assignment between precursor ions obtained from resolved MS1 spectra and their corresponding MS2 spectra. The method was evaluated for two sets of tap water and surface water contaminated with 14 target chemicals as a proof of concept. The data set of surface water samples consisting of 3506 MS1 and 2170 MS2 AIF mass spectral features was reduced to 81 components via a fused MS1-MS2 MCR model that describes at least 98.8% of the data. Each component summarizes the distinct chromatographic elution of components together with their corresponding MS1 and MS2 spectra. MS2 spectral similarity of more than 82% was obtained for most target chemicals. This highlights the potential of this method for unraveling the composition of MS/MS complex data in a water environment. Ultimately, the developed approach was applied to the retrospective non-target analysis of an independent set of surface water samples.

18.
Biomed Eng Online ; 23(1): 35, 2024 Mar 19.
Artículo en Inglés | MEDLINE | ID: mdl-38504279

RESUMEN

BACKGROUND: Tele-rehabilitation is the provision of physiotherapy services to individuals in their own homes. Activity recognition plays a crucial role in the realm of automatic tele-rehabilitation. By assessing patient movements, identifying exercises, and providing feedback, these platforms can offer insightful information to clinicians, thereby facilitating an improved plan of care. This study introduces a novel deep learning approach aimed at identifying lower limb rehabilitation exercises. This is achieved through the integration of depth data and pressure heatmaps. We hypothesized that combining pressure heatmaps and depth data could improve the model's overall performance. METHODS: In this study, depth videos and body pressure data from an accessible online dataset were used. This dataset comprises data from 30 healthy individuals performing 7 lower limb rehabilitation exercises. To accomplish the classification task, three deep learning models were developed, all based on an established 3D-CNN architecture. The models were designed to classify the depth videos, sequences of pressure data frames, and combination of depth videos and pressure frames. The models' performance was assessed through leave-one-subject-out and leave-multiple-subjects-out cross-validation methods. Performance metrics, including accuracy, precision, recall, and F1 score, were reported for each model. RESULTS: Our findings indicated that the model trained on the fusion of depth and pressure data showed the highest and most stable performance when compared with models using individual modality inputs. This model could effectively identify the exercises with an accuracy of 95.71%, precision of 95.83%, recall of 95.71%, and an F1 score of 95.74%. CONCLUSION: Our results highlight the impact of data fusion for accurately classifying lower limb rehabilitation exercises. We showed that our model could capture different aspects of exercise movements using the visual and weight distribution data from the depth camera and pressure mat, respectively. This integration of data provides a better representation of exercise patterns, leading to higher classification performance. Notably, our results indicate the potential application of this model in automatic tele-rehabilitation platforms.


Asunto(s)
Telerrehabilitación , Humanos , Terapia por Ejercicio , Ejercicio Físico , Extremidad Inferior , Movimiento
19.
Environ Res ; 252(Pt 3): 118948, 2024 Jul 01.
Artículo en Inglés | MEDLINE | ID: mdl-38649013

RESUMEN

Air pollution shares the attributes of multi-factorial influence and spatiotemporal complexity, leading to air pollution control assistance models easily falling into a state of failure. To address this issue, we design a framework containing improved data fusion method, novel grey incidence models and air pollution spatiotemporal analysis to analyze the complex characteristics of air pollution under the fusion of multiple factors. Firstly, we improve the existing data fusion method for multi-factor fusion. Subsequently, we construct two grey spatiotemporal incidence models to examine the spatiotemporal characteristics of multi-factorial air pollution in network relationships and changing trends. Furthermore, we propose two new properties that can manifest the performance of grey incidence analysis, and we provide detailed proof of the properties of the new models. Finally, in the Jing-Jin-Ji region, the novel models are used to study the network relationships and trend changes of air pollution. The findings are as follows: (1) Two highly polluted belts in the region require attention. (2) Although the air pollution network under multi-factorial fusion obeys the first law of geography, the network density and node density exhibit significant variations. (3) From 2013 to 2021, all pollutants except O3 show improvement. (4) Recommendations for responses are presented based on the above-mentioned results. (5) The parameter analyses, model comparisons, Monte Carlo experiments and model feature summaries illustrate that the proposed models are practical, interpretable and considerably outperform various prevailing competitors with remarkable universality.


Asunto(s)
Contaminantes Atmosféricos , Contaminación del Aire , Análisis Espacio-Temporal , Contaminación del Aire/análisis , Contaminantes Atmosféricos/análisis , Monitoreo del Ambiente/métodos , Modelos Teóricos , China
20.
Artículo en Inglés | MEDLINE | ID: mdl-38858787

RESUMEN

OBJECTIVES: To investigate the accuracy of conventional and automatic artificial intelligence (AI)-based registration of cone-beam computed tomography (CBCT) with intraoral scans and to evaluate the impact of user's experience, restoration artifact, number of missing teeth, and free-ended edentulous area. MATERIALS AND METHODS: Three initial registrations were performed for each of the 150 randomly selected patients, in an implant planning software: one from an experienced user, one from an inexperienced operator, and one from a randomly selected post-graduate student of implant dentistry. Six more registrations were performed for each dataset by the experienced clinician: implementing a manual or an automatic refinement, selecting 3 small or 3 large in-diameter surface areas and using multiple small or multiple large in-diameter surface areas. Finally, an automatic AI-driven registration was performed, using the AI tools that were integrated into the utilized implant planning software. The accuracy between each type of registration was measured using linear measurements between anatomical landmarks in metrology software. RESULTS: Fully automatic-based AI registration was not significantly different from the conventional methods tested for patients without restorations. In the presence of multiple restoration artifacts, user's experience was important for an accurate registration. Registrations' accuracy was affected by the number of free-ended edentulous areas, but not by the absolute number of missing teeth (p < .0083). CONCLUSIONS: In the absence of imaging artifacts, automated AI-based registration of CBCT data and model scan data can be as accurate as conventional superimposition methods. The number and size of selected superimposition areas should be individually chosen depending on each clinical situation.

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