artificial intelligence models

  • 文章类型: Journal Article
    蛋白质结构测定在深度学习模型的帮助下取得了进展,能够从蛋白质序列中预测蛋白质折叠。然而,在蛋白质结构仍未描述的某些情况下,获得准确的预测变得至关重要。这在处理稀有时尤其具有挑战性,多样的结构和复杂的样品制备。不同的指标评估预测可靠性,并提供对结果强度的洞察,通过结合不同的模型,提供对蛋白质结构的全面了解。在之前的研究中,研究了两种名为ARM58和ARM56的蛋白质。这些蛋白质包含四个功能未知的结构域,存在于利什曼原虫中。ARM是指抗锑标记物。这项研究的主要目的是评估模型预测的准确性,从而提供对这些发现背后的复杂性和支持指标的见解。该分析还扩展到从其他物种和生物体获得的预测的比较。值得注意的是,这些蛋白质中的一种与克氏锥虫和布鲁氏锥虫具有直系同源物,对我们的分析有进一步的意义。这一尝试强调了评估深度学习模型的不同输出的重要性。促进不同生物体和蛋白质之间的比较。这在没有先前结构信息可用的情况下变得特别相关。
    Protein structure determination has made progress with the aid of deep learning models, enabling the prediction of protein folding from protein sequences. However, obtaining accurate predictions becomes essential in certain cases where the protein structure remains undescribed. This is particularly challenging when dealing with rare, diverse structures and complex sample preparation. Different metrics assess prediction reliability and offer insights into result strength, providing a comprehensive understanding of protein structure by combining different models. In a previous study, two proteins named ARM58 and ARM56 were investigated. These proteins contain four domains of unknown function and are present in Leishmania spp. ARM refers to an antimony resistance marker. The study\'s main objective is to assess the accuracy of the model\'s predictions, thereby providing insights into the complexities and supporting metrics underlying these findings. The analysis also extends to the comparison of predictions obtained from other species and organisms. Notably, one of these proteins shares an ortholog with Trypanosoma cruzi and Trypanosoma brucei, leading further significance to our analysis. This attempt underscored the importance of evaluating the diverse outputs from deep learning models, facilitating comparisons across different organisms and proteins. This becomes particularly pertinent in cases where no previous structural information is available.
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  • 文章类型: Systematic Review
    背景:COVID-19大流行对日常生活产生了深远的全球影响,经济稳定,和医疗保健系统。通过RT-PCR诊断COVID-19感染对于减少疾病传播和指导治疗管理至关重要。虽然RT-PCR是一个关键的诊断测试,诊断标准的制定还有改进的余地.识别呼出气中的挥发性有机化合物(VOCs)提供了一种快速、可靠,和经济上有利的疾病检测替代方案。
    方法:本荟萃分析分析了基于VOC的呼气分析在检测COVID-19感染中的诊断性能。使用纽卡斯尔-渥太华量表(NOS)和PRISMA指南的分级标准对29篇论文进行了系统回顾。
    结果:累积结果显示灵敏度为0.92(95%CI,90%-95%),特异性为0.90(95%CI87%-93%)。通过变体进行的亚组分析显示,与Omicron和Delta变体相比,在检测SARS-CoV-2感染时,对原始菌株具有很强的敏感性。检测方法的另一个亚组分析显示,与GC-MS相比,eNose技术具有最高的灵敏度,GC-IMS,高灵敏度-MS
    结论:总体而言,这些结果支持使用呼气分析作为COVID-19感染的新检测方法.
    BACKGROUND: The COVID-19 pandemic had profound global impacts on daily lives, economic stability, and healthcare systems. Diagnosis of COVID-19 infection via RT-PCR was crucial in reducing spread of disease and informing treatment management. While RT-PCR is a key diagnostic test, there is room for improvement in the development of diagnostic criteria. Identification of volatile organic compounds (VOCs) in exhaled breath provides a fast, reliable, and economically favorable alternative for disease detection.
    METHODS: This meta-analysis analyzed the diagnostic performance of VOC-based breath analysis in detection of COVID-19 infection. A systematic review of twenty-nine papers using the grading criteria from Newcastle-Ottawa Scale (NOS) and PRISMA guidelines was conducted.
    RESULTS: The cumulative results showed a sensitivity of 0.92 (95 % CI, 90 %-95 %) and a specificity of 0.90 (95 % CI 87 %-93 %). Subgroup analysis by variant demonstrated strong sensitivity to the original strain compared to the Omicron and Delta variant in detection of SARS-CoV-2 infection. An additional subgroup analysis of detection methods showed eNose technology had the highest sensitivity when compared to GC-MS, GC-IMS, and high sensitivity-MS.
    CONCLUSIONS: Overall, these results support the use of breath analysis as a new detection method of COVID-19 infection.
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  • 文章类型: Journal Article
    随着2022年底ChatGPT的发布,思维和技术使用的新时代已经开始。人工智能模型(AI),如双子座(Bard),副驾驶(Bing),ChatGPT-3.5有可能影响我们生活的方方面面,包括实验室数据解释。要评估ChatGPT-3.5的准确性,和双子座在评估生化数据时的反应。十个模拟病人的生化实验室数据,包括血清尿素,肌酐,葡萄糖,胆固醇,甘油三酯,低密度脂蛋白(LDL-c),高密度脂蛋白(HDL-c),除了HbA1c,由三个人工智能解释:副驾驶,双子座,和ChatGPT-3.5,然后与三名评估者进行评估。该研究使用两种方法进行。第一个包含所有生化数据。第二个仅包含肾功能数据。第一种方法表明副驾驶具有最高的准确度,其次是双子座和ChatGPT-3.5。Friedman和Dunn的事后检验表明,Copilot的平均排名最高;成对比较显示,Copilot与ChatGPT-3.5(P=0.002)和双子(P=0.008)。第二种方法表现出Copilot具有最高的性能准确性。弗里德曼测试与邓恩的事后分析显示,Copilot具有最高的平均排名。WilcoxonSigned-Rank测试表明,当应用所有实验室数据时,Copilot的反应(P=0.5)与仅应用肾功能数据。Copilot在解释生化数据方面比Gemini和ChatGPT-3.5更准确。它在不同数据子集之间的一致响应突出了它在这种情况下的可靠性。
    With the release of ChatGPT at the end of 2022, a new era of thinking and technology use has begun. Artificial intelligence models (AIs) like Gemini (Bard), Copilot (Bing), and ChatGPT-3.5 have the potential to impact every aspect of our lives, including laboratory data interpretation. To assess the accuracy of ChatGPT-3.5, Copilot, and Gemini responses in evaluating biochemical data. Ten simulated patients\' biochemical laboratory data, including serum urea, creatinine, glucose, cholesterol, triglycerides, low-density lipoprotein (LDL-c), and high-density lipoprotein (HDL-c), in addition to HbA1c, were interpreted by three AIs: Copilot, Gemini, and ChatGPT-3.5, followed by evaluation with three raters. The study was carried out using two approaches. The first encompassed all biochemical data. The second contained only kidney function data. The first approach indicated Copilot to have the highest level of accuracy, followed by Gemini and ChatGPT-3.5. Friedman and Dunn\'s post-hoc test revealed that Copilot had the highest mean rank; the pairwise comparisons revealed significant differences for Copilot vs. ChatGPT-3.5 (P = 0.002) and Gemini (P = 0.008). The second approach exhibited Copilot to have the highest accuracy of performance. The Friedman test with Dunn\'s post-hoc analysis showed Copilot to have the highest mean rank. The Wilcoxon Signed-Rank Test demonstrated an indistinguishable response (P = 0.5) of Copilot when all laboratory data were applied vs. the application of only kidney function data. Copilot is more accurate in interpreting biochemical data than Gemini and ChatGPT-3.5. Its consistent responses across different data subsets highlight its reliability in this context.
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  • 文章类型: Journal Article
    最近,膜分离技术以其高效的性能和独特的优势在过滤过程强化中得到了广泛的应用,但是膜污染限制了其发展和应用。因此,膜污染预测与控制技术的研究对于有效降低膜污染、提高分离性能至关重要。这篇综述首先介绍了主要因素(运行状况、材料特性,和膜结构特性)以及影响膜污染的相应原理。此外,数学模型(Hermia模型和串联电阻模型),人工智能(AI)模型(人工神经网络模型和模糊控制模型),和人工智能优化方法(遗传算法和粒子群算法),广泛用于膜污染的预测,进行了总结和比较分析。在膜污染的预测精度和适用性方面,AI模型通常明显优于数学模型,并且可以通过与图像处理技术协同工作来实时监测膜污染。这对于膜污染预测和机理研究至关重要。同时,用于分离过程中膜污染预测的AI模型显示出良好的潜力,有望进一步应用于分离和过滤过程强化的大规模工业应用中。这篇综述将有助于研究人员了解膜污染预测面临的挑战和未来的研究方向,有望为减少甚至解决膜污染的瓶颈问题提供有效的方法,并促进人工智能建模在环境和食品领域的进一步应用。
    Recently, membrane separation technology has been widely utilized in filtration process intensification due to its efficient performance and unique advantages, but membrane fouling limits its development and application. Therefore, the research on membrane fouling prediction and control technology is crucial to effectively reduce membrane fouling and improve separation performance. This review first introduces the main factors (operating condition, material characteristics, and membrane structure properties) and the corresponding principles that affect membrane fouling. In addition, mathematical models (Hermia model and Tandem resistance model), artificial intelligence (AI) models (Artificial neural networks model and fuzzy control model), and AI optimization methods (genetic algorithm and particle swarm algorithm), which are widely used for the prediction of membrane fouling, are summarized and analyzed for comparison. The AI models are usually significantly better than the mathematical models in terms of prediction accuracy and applicability of membrane fouling and can monitor membrane fouling in real-time by working in concert with image processing technology, which is crucial for membrane fouling prediction and mechanism studies. Meanwhile, AI models for membrane fouling prediction in the separation process have shown good potential and are expected to be further applied in large-scale industrial applications for separation and filtration process intensification. This review will help researchers understand the challenges and future research directions in membrane fouling prediction, which is expected to provide an effective method to reduce or even solve the bottleneck problem of membrane fouling, and to promote the further application of AI modeling in environmental and food fields.
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  • 文章类型: Journal Article
    对基于GaN的超透镜的光学响应进行了分析,同时利用两个顺序人工智能(AI)模型来解决捕获图像中的模糊和偏色的偶然问题。发现超透镜在蓝色光谱范围内的光学损失导致图像的偏色。采用了自动编码器和CodeFormer顺序模型来校正色偏和重建图像细节,分别。所述顺序模型成功地解决了所有分配的面部图像类别的色偏和重构细节。随后,CIE1931色彩图和峰值信噪比分析为AI模型在图像重建中的有效性提供了数值证据。此外,AI模型仍然可以修复没有蓝色信息的图像。总的来说,超透镜和人工智能模型的集成标志着在增强基于全彩色超透镜的成像系统性能方面的突破。
    An analysis of the optical response of a GaN-based metalens was conducted alongside the utilization of two sequential artificial intelligence (AI) models in addressing the occasional issues of blurriness and color cast in captured images. The optical loss of the metalens in the blue spectral range was found to have resulted in the color cast of images. Autoencoder and CodeFormer sequential models were employed in order to correct the color cast and reconstruct image details, respectively. Said sequential models successfully addressed the color cast and reconstructed details for all of the allocated face image categories. Subsequently, the CIE 1931 chromaticity diagrams and peak signal-to-noise ratio analysis provided numerical evidence of the AI models\' effectiveness in image reconstruction. Furthermore, the AI models can still repair the image without blue information. Overall, the integration of metalens and artificial intelligence models marks a breakthrough in enhancing the performance of full-color metalens-based imaging systems.
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  • 文章类型: Journal Article
    大型语言模型(LLM)将通过加速任务性能而有益于科学。我们探讨了ChatGPT(生成预训练变压器)对生物学问题的答案是否足够多样。ChatGPT答案中的“植物意识”被发现是高度可变的,说明科学家参与验证用于训练人工智能(AI)模型的数据和方法的重要性。
    Large language models (LLMs) will benefit science by accelerating task performance. We explored whether answers generated by ChatGPT (generative pretrained transformer) to questions of biology are sufficiently diverse. \'Plant awareness\' in ChatGPT answers was found to be highly variable, illustrating the importance of scientists being involved in validating the data and methods used to train artificial intelligence (AI) models.
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  • 文章类型: Journal Article
    虽然一些强大的人工智能(AI)技术,如基因表达式编程(GEP),模型树(MT),多变量自适应回归样条(MARS)已被广泛应用于水资源领域,旨在探索其不确定性水平的文件很少。同时,这些AI模型在实际应用中的不确定性确定非常重要,尤其是当我们旨在使用AI模型进行流量预测时,由于水资源管理不善的影响。借助全球每日流量数据集,了解GEP的不确定性,MT,研究了用于预测天然河流流量的MARS。不确定性分析的效率由两个统计指标量化:95%预测不确定度(95%PPU)和R因子。结果表明,与MARS(95%PPU=0.61,R因子=1.92)和GEP(95%PPU=0.64,R因子=2.03)相比,MT具有更低的不确定度(95%PPU=0.59,R因子=1.67)。总的来说,尽管人工智能模型的置信区间不确定性带几乎捕捉到了平均流量测量值,获得了宽范围的不确定度,因此在计算月流量值时遇到了显着的不确定度。
    While some robust artificial intelligence (AI) techniques such as Gene-Expression Programming (GEP), Model Tree (MT), and Multivariate Adaptive Regression Spline (MARS) have been frequently employed in the field of water resources, documents aimed to explore their uncertainty levels are few and far between. Meanwhile, uncertainty determination of these AI models in practical applications is highly important especially when we aimed to use the AI models for streamflow forecast due to the repercussions of poorly managed water resources. With the aid of a global daily streamflow dataset, understanding the uncertainty of GEP, MT, and MARS for forecasting streamflow of natural rivers was studied. The efficiency of uncertainty analysis was quantified by two statistical indicators: 95% Percent Prediction Uncertainty (95%PPU) and R-factor. The results demonstrated that MT had lower uncertainty (95%PPU=0.59 and R-factor=1.67) in comparison with MARS (95%PPU=0.61 and R-factor=1.92) and GEP (95%PPU=0.64 and R-factor=2.03). Overall, although the confidence interval bands of uncertainty for the AI models almost captured the mean streamflow measurements, wide bands of uncertainty were obtained and consequently remarkable uncertainty in the calculation of monthly streamflow values was met.
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  • 文章类型: Journal Article
    生物表面活性剂是在几种工业过程中具有广泛应用的分子。由于低效的生物加工和昂贵的基质,它们的生产受到损害。使用替代基材改善和节约生物表面活性剂生产工艺的策略的最新进展,优化技术,和不同的尺度。本文提出了一项研究,以比较经典(多项式模型)和现代工具的性能,例如人工智能以帮助优化替代底物浓度(基于甜菜皮和甘油的替代)和工艺参数(搅拌和曝气)。以两种不同的规模进行评估:锥形瓶(100mL)和生物反应器(7L)。智能模型的实施,以验证预测乳化指数和生物表面活性剂浓度在较小的规模和生物表面活性剂浓度和表面张力降低(STR)在更大的规模的能力,导致四种不同的情况。预测的总体结果导致人工神经网络在所研究的所有四种情况下都是表现最好的建模工具,R2值范围从0.9609到0.9974,误差指数接近0。此外,四种不同的型号(吴,Contois,梅吉,和Ghose-Tyagi)通过粒子群优化(PSO)进行调整,以描述生物表面活性剂生产的动力学。Contois模型是唯一一个为所有监测变量提供R2≥0.97的模型。这项工作中描述的发现提出了用于预测生物表面活性剂生产的调整模型,并且还指出,用于进一步研究该过程的最调整的动力学模型是Contois模型。得出生物量生长受单一基质限制的结论,只考虑葡萄糖。
    Biosurfactants are molecules with wide application in several industrial processes. Their production is damaged due to inefficient bioprocessing and expensive substrates. The latest developments of strategies to improve and economize the biosurfactant production process use alternative substrates, optimization techniques, and different scales. This paper presents a study to compare the performances of classical (polynomial models) and modern tools, such as artificial intelligence to aid optimization of the alternative substrate concentration (alternative based on beet peel and glycerol) and process parameters (agitation and aeration). The evaluation was developed in two different scales: Erlenmeyer flask (100 mL) and bioreactor (7 L). The intelligent models were implemented to verify the ability to predict the emulsification index and biosurfactant concentration in smaller scale and the biosurfactant concentration and the superficial tension reduction (STR) in bigger scale, resulting in four different situations. The overall results of the predictions led to artificial neural networks as the best performing modeling tool in all four situations studied, with R2 values ranging from 0.9609 to 0.9974 and error indices close to 0. Also, four different models (Wu, Contois, Megee, and Ghose-Tyagi) were adjusted by particle swarm optimization (PSO) in order to describe the kinetics of biosurfactant production. Contois model was the only one to present R2 ≥ 0.97 for all monitored variables. The findings described in this work present an adjusted model for the prediction of biosurfactant production and also state that the most adjusted kinetic model for further studies on this process is Contois model, leading to the conclusion that biomass growth is limited by a single substrate, considering only glucose.
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  • 文章类型: Journal Article
    纤连蛋白(FN)在宿主对感染的反应中起着至关重要的作用。在以往的研究中,在脓毒症中观察到FN水平显着下降;然而,它还没有清楚地阐明该参数如何影响患者的生存。为了更好地理解FN与生存之间的关系,我们利用了可解释机器学习领域的创新方法,包括当地的解释(分解,Shapley加值,CeterisParibus),了解FN对预测个体患者生存的贡献。该方法为患者提供了个性化信息预测的新机会。结果显示,预测脓毒症患者生存最重要的指标是INR,FN,年龄,和APACHEII得分。ROC曲线分析显示,模型分类成功率为0.92,敏感性为0.92,阳性预测值为0.76,准确性为0.79。为了说明这些可能性,我们开发并共享了一个基于网络的风险计算器,用于探索个体患者的风险。Web应用程序可以使用新数据不断更新,以进一步改进模型。
    Fibronectin (FN) plays an essential role in the host\'s response to infection. In previous studies, a significant decrease in the FN level was observed in sepsis; however, it has not been clearly elucidated how this parameter affects the patient\'s survival. To better understand the relationship between FN and survival, we utilized innovative approaches from the field of explainable machine learning, including local explanations (Break Down, Shapley Additive Values, Ceteris Paribus), to understand the contribution of FN to predicting individual patient survival. The methodology provides new opportunities to personalize informative predictions for patients. The results showed that the most important indicators for predicting survival in sepsis were INR, FN, age, and the APACHE II score. ROC curve analysis showed that the model\'s successful classification rate was 0.92, its sensitivity was 0.92, its positive predictive value was 0.76, and its accuracy was 0.79. To illustrate these possibilities, we have developed and shared a web-based risk calculator for exploring individual patient risk. The web application can be continuously updated with new data in order to further improve the model.
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  • 文章类型: Journal Article
    目的:对大肠癌(CRC)中预测和预后生物标志物的需求使我们进入了人工智能(AI)模型使用日益增加的时代。我们研究了紧密连接成分Claudin-7的表达,这对维持正常上皮粘膜的完整性起着至关重要的作用,及其在晚期CRC中的潜在预后作用,通过在统计和人工智能算法之间绘制并行。
    方法:在84例患者的CRCs的肿瘤核心和浸润前沿评估了Claudin-7的免疫组织化学表达,并与临床病理参数和生存率相关。将结果与使用各种AI算法获得的结果进行比较。
    结果:Kaplan-Meier单变量生存分析显示,在侵入性前沿,生存与Claudin-7强度之间存在显着相关性(p=0.00),较高的表达与较差的预后相关,而肿瘤核心中的Claudin-7强度对生存率没有影响。相比之下,AI模型无法预测相同的生存结果。
    结论:该研究通过统计学手段表明,在肿瘤侵袭性前沿中Claudin-7的免疫组织化学过度表达可能是晚期CRC的不良预后因素,与无法预测相同结果的AI模型相反,可能是因为纳入我们队列的患者数量少.
    OBJECTIVE: The need for predictive and prognostic biomarkers in colorectal carcinoma (CRC) brought us to an era where the use of artificial intelligence (AI) models is increasing. We investigated the expression of Claudin-7, a tight junction component, which plays a crucial role in maintaining the integrity of normal epithelial mucosa, and its potential prognostic role in advanced CRCs, by drawing a parallel between statistical and AI algorithms.
    METHODS: Claudin-7 immunohistochemical expression was evaluated in the tumor core and invasion front of CRCs from 84 patients and correlated with clinicopathological parameters and survival. The results were compared with those obtained by using various AI algorithms.
    RESULTS: the Kaplan-Meier univariate survival analysis showed a significant correlation between survival and Claudin-7 intensity in the invasive front (p = 0.00), a higher expression being associated with a worse prognosis, while Claudin-7 intensity in the tumor core had no impact on survival. In contrast, AI models could not predict the same outcome on survival.
    CONCLUSIONS: The study showed through statistical means that the immunohistochemical overexpression of Claudin-7 in the tumor invasive front may represent a poor prognostic factor in advanced stages of CRCs, contrary to AI models which could not predict the same outcome, probably because of the small number of patients included in our cohort.
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