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Towards a Model-Based Interpretation of Measurements of Mineralogical and Chemical Compositions 以模型为基础解释矿物学和化学成分测量结果
IF 2.6 3区 地球科学 Q1 Mathematics Pub Date : 2024-01-09 DOI: 10.1007/s11004-023-10121-6

Abstract

We introduce a new methodology for inference of fluid composition from measurements of mineralogical or chemical compositions, expanding upon the use of reactive transport models to understand hydrothermal alteration processes. The reactive transport models are used to impute a latent variable explanatory mechanism in the formation of hydrothermal alteration zones and mineral deposits. An expectation maximisation algorithm is then employed to solve the joint problem of identifying alteration zones in the measured data and estimating the fluid composition, based on the fit between the mineral abundances in the measured and predicted alteration zones. Using the hydrothermal alteration of granite as a test case (greisenisation), a range of synthetic tests is presented to illustrate how the methodology enables objective inference of the mineralising fluid. For field data from the East Kemptville tin deposit in Nova Scotia, the technique generates inferences for the fluid composition which compare favourably with previous independent estimates, demonstrating the feasibility of the proposed calibration methodology.

摘要 我们介绍了一种从矿物学或化学成分的测量结果推断流体成分的新方法,这种方法是在利用反应迁移模型理解热液蚀变过程的基础上扩展而来的。反应迁移模型用于推断热液蚀变带和矿床形成过程中的潜在变量解释机制。然后采用期望最大化算法来解决在测量数据中识别蚀变区和根据测量蚀变区和预测蚀变区的矿物丰度之间的拟合来估算流体成分的共同问题。以花岗岩的热液蚀变为测试案例(灰化),介绍了一系列合成测试,以说明该方法如何实现对成矿流体的客观推断。对于来自新斯科舍省东坎普维尔锡矿床的实地数据,该技术得出的流体成分推断结果与之前的独立估算结果相差无几,证明了所建议的校准方法的可行性。
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引用次数: 0
Importance Weighting in Hybrid Iterative Ensemble Smoothers for Data Assimilation 用于数据同化的混合迭代集合平滑器中的重要性加权
IF 2.6 3区 地球科学 Q1 Mathematics Pub Date : 2024-01-08 DOI: 10.1007/s11004-023-10127-0
Yuming Ba, Dean S. Oliver

Because it is generally impossible to completely characterize the uncertainty in complex model variables after assimilation of data, it is common to approximate the uncertainty by sampling from approximations of the posterior distribution for model variables. When minimization methods are used for the sampling, the weights on each of the samples depend on the magnitude of the data mismatch at the critical points and on the Jacobian of the transformation from the prior density to the sample proposal density. For standard iterative ensemble smoothers, the Jacobian is identical for all samples, and the weights depend only on the data mismatch. In this paper, a hybrid data assimilation method is proposed which makes it possible for each ensemble member to have a distinct Jacobian and for the approximation to the posterior density to be multimodal. For the proposed hybrid iterative ensemble smoother, it is necessary that a part of the mapping from the prior Gaussian random variable to the data be analytic. Examples might include analytic transformation from a latent Gaussian random variable to permeability followed by a black-box transformation from permeability to state variables in porous media flow, or a Gaussian hierarchical model for variables followed by a similar black-box transformation from permeability to state variables. In this paper, the application of weighting to both hybrid and standard iterative ensemble smoothers is investigated using a two-dimensional, two-phase flow problem in porous media with various degrees of nonlinearity. As expected, the weights in a standard iterative ensemble smoother become degenerate for problems with large amounts of data. In the examples, however, the weights for the hybrid iterative ensemble smoother were useful for improving forecast reliability.

由于在数据同化后一般不可能完全确定复杂模型变量的不确定性,因此通常通过从模型变量的后验分布近似值中采样来近似确定不确定性。当使用最小化方法进行采样时,每个样本的权重取决于临界点数据不匹配的程度,以及从先验密度到样本提议密度的变换的雅各布。对于标准迭代集合平滑器来说,所有样本的雅各比是相同的,权重只取决于数据错配。本文提出了一种混合数据同化方法,使每个集合成员都有一个不同的雅各比,并使后验密度的近似具有多模态性。对于所提出的混合迭代集合平滑器来说,从先验高斯随机变量到数据的部分映射必须是解析的。例如,从潜在高斯随机变量到渗透率的解析变换,再从渗透率到多孔介质流状态变量的黑箱变换,或从渗透率到状态变量的类似黑箱变换的高斯分层变量模型。本文使用具有不同非线性程度的多孔介质中的二维两相流问题,研究了权重在混合迭代集合平滑器和标准迭代集合平滑器中的应用。不出所料,对于数据量较大的问题,标准迭代集合平滑器中的权重会退化。然而,在实例中,混合迭代集合平滑器的权重有助于提高预测可靠性。
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引用次数: 0
Spatial Interpolation and Conditional Map Generation Using Deep Image Prior for Environmental Applications 利用深度图像先验进行空间插值和条件地图生成,用于环境应用
IF 2.6 3区 地球科学 Q1 Mathematics Pub Date : 2024-01-03 DOI: 10.1007/s11004-023-10125-2
Herbert Rakotonirina, Ignacio Guridi, Paul Honeine, Olivier Atteia, Antonin Van Exem

Kriging is the most widely used spatial interpolation method in geostatistics. For many environmental applications, kriging may have to satisfy the stationarity and isotropy hypothesis, and new techniques using machine learning suffer from a lack of labeled data. In this paper, we propose the use of deep image prior, which is a U-net-like deep neural network designed for image reconstruction, to perform spatial interpolation and conditional map generation without any prior learning. This approach allows us to overcome the assumptions for kriging as well as the lack of labeled data when proposing uncertainty and probability above a certain threshold. The proposed method is based on a convolutional neural network that generates a map from random values by minimizing the difference between the output map and the observed values. With this new method of spatial interpolation, we generate n maps to obtain a map of uncertainty and a map of probability of exceeding the threshold. Experiments demonstrate the relevance of the proposed methods for spatial interpolation on both the well-known digital elevation model data and the more challenging case of pollution mapping. The results obtained with the three datasets demonstrate competitive performance compared with state-of-the-art methods.

克里金法是地质统计学中应用最广泛的空间插值方法。对于许多环境应用来说,克里金法可能必须满足静止性和各向同性假设,而使用机器学习的新技术又受到缺乏标记数据的困扰。在本文中,我们提出使用深度图像先验(一种专为图像重建设计的类 U-net 深度神经网络)来执行空间插值和条件地图生成,而无需任何先验学习。这种方法使我们能够克服克里金法的假设,以及在提出不确定性和概率超过一定阈值时缺乏标记数据的问题。所提出的方法以卷积神经网络为基础,通过最小化输出地图与观测值之间的差异,从随机值生成地图。利用这种新的空间插值方法,我们生成了 n 幅地图,从而获得了不确定性地图和超过阈值的概率地图。实验证明,无论是在众所周知的数字高程模型数据上,还是在更具挑战性的污染地图绘制上,所提出的空间插值方法都非常实用。与最先进的方法相比,使用这三种数据集获得的结果表明了具有竞争力的性能。
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引用次数: 0
A Permeability Prediction Model of Single-Peak NMR T2 Distribution in Tight Sandstones: A Case Study on the Huangliu Formation, Yinggehai Basin, China 致密砂岩中单峰核磁共振 T2 分布的渗透率预测模型:中国莺歌海盆地黄流地层案例研究
IF 2.6 3区 地球科学 Q1 Mathematics Pub Date : 2024-01-03 DOI: 10.1007/s11004-023-10118-1
Jing Zhao, Zhilong Huang, Jin Dong, Jingyuan Zhang, Rui Wang, Chonglin Ma, Guangjun Deng, Maguang Xu

Tight sandstone reservoirs have low porosity, low permeability, and a complex pore structure. The seepage from tight sandstones is a key factor in evaluating the oil and gas accumulation in these reservoirs. Therefore, reservoir permeability prediction has become the focus of researchers. Using nuclear magnetic resonance (NMR), high-pressure mercury injection, scanning electron microscopy, and other experimental methods, scholars have established various permeability prediction models, which have obvious advantages and disadvantages. However, there is less research conducted on predicting the permeability of tight sandstone reservoirs according to their single-peak NMR T2 distribution. Based on NMR experiments and the bimodal Gaussian density formula, this study identified the criteria for determining the types of reservoir pore structures with single-peak NMR T2 distribution and established the parameters (η1 and η2) that can be used in the evaluation of reservoir pore structure. A novel model for predicting the permeability of tight sandstone reservoirs was established using η1 and η2. The results of the prediction model proposed in this study were found to be superior to the results of eight permeability prediction models established by other scholars in the studied case of the Huangliu Formation. However, permeability prediction models established using the NMR experimental results of different sources were found to be ineffective. Additionally, the new model is suitable for use with sandstone reservoirs with both single-peak and double-peak NMR T2 distributions in the studied case of the Yanchang Formation. Logging curves can be used to predict η1 and η2, and the permeability of a single well of a tight sandstone reservoir. The study findings would be useful for predicting tight sandstone reservoir permeability.

致密砂岩储层具有低孔隙度、低渗透率和复杂的孔隙结构。致密砂岩的渗流是评价这些储层油气储量的关键因素。因此,储层渗透率预测已成为研究人员关注的焦点。学者们利用核磁共振(NMR)、高压注汞、扫描电镜等实验方法,建立了多种渗透率预测模型,这些模型优缺点明显。但根据致密砂岩储层的单峰核磁共振 T2 分布预测其渗透率的研究较少。本研究基于核磁共振实验和双峰高斯密度公式,确定了单峰核磁共振 T2 分布储层孔隙结构类型的判定标准,并建立了可用于储层孔隙结构评价的参数(η1 和 η2)。利用 η1 和 η2 建立了预测致密砂岩储层渗透率的新模型。以黄流地层为例,发现本研究提出的预测模型的结果优于其他学者建立的八个渗透率预测模型的结果。然而,利用不同来源的核磁共振实验结果建立的渗透率预测模型效果不佳。此外,在研究的盐场地层中,新模型适用于具有单峰和双峰核磁共振 T2 分布的砂岩储层。测井曲线可用于预测致密砂岩储层单井的η1和η2以及渗透率。研究结果将有助于预测致密砂岩储层的渗透率。
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引用次数: 0
Uncertainty Quantification in Geostatistical Modelling of Saltwater Intrusion at a Coastal Aquifer System 沿海含水层系统盐水入侵地质统计建模的不确定性量化
IF 2.6 3区 地球科学 Q1 Mathematics Pub Date : 2024-01-02 DOI: 10.1007/s11004-023-10120-7
João Lino Pereira, Emmanouil A. Varouchakis, George P. Karatzas, Leonardo Azevedo

Groundwater resources in Mediterranean coastal aquifers are under several threats including saltwater intrusion. This situation is exacerbated by the absence of sustainable management plans for groundwater resources. Management and monitoring of groundwater systems require an integrated approach and the joint interpretation of any available information. This work investigates how uncertainty can be integrated within the geo-modelling workflow when creating numerical three-dimensional aquifer models with electrical resistivity borehole logs, geostatistical simulation and Bayesian model averaging. Multiple geological scenarios of electrical resistivity are created with geostatistical simulation by removing one borehole at a time from the set of available boreholes. To account for the spatial uncertainty simultaneously reflected by the multiple geostatistical scenarios, Bayesian model averaging is used to combine the probability distribution functions of each scenario into a global one, thus providing more credible uncertainty intervals. The proposed methodology is applied to a water-stressed groundwater system located in Crete that is threatened by saltwater intrusion. The results obtained agree with the general knowledge of this complex environment and enable sustainable groundwater management policies to be devised considering optimistic and pessimistic scenarios.

地中海沿岸含水层的地下水资源正受到包括海水入侵在内的多种威胁。由于缺乏可持续的地下水资源管理计划,这种情况更加严重。地下水系统的管理和监测需要采用综合方法,并对所有可用信息进行联合解释。这项工作研究了在利用电阻率钻孔记录、地质统计模拟和贝叶斯模型平均法创建三维含水层数值模型时,如何将不确定性纳入地质建模工作流程。通过地质统计模拟,每次从可用的钻孔中移除一个钻孔,从而创建多种电阻率地质情况。为考虑多个地质统计情景同时反映的空间不确定性,采用贝叶斯模型平均法将每个情景的概率分布函数合并为一个全局函数,从而提供更可信的不确定性区间。所提出的方法适用于克里特岛受盐水入侵威胁的缺水地下水系统。所获得的结果与有关这一复杂环境的一般知识相吻合,并能在考虑乐观和悲观情景的基础上制定可持续的地下水管理政策。
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引用次数: 0
Solving Geophysical Inversion Problems with Intractable Likelihoods: Linearized Gaussian Approximations Versus the Correlated Pseudo-marginal Method. 解决具有难解似然的地球物理反演问题:线性化高斯逼近法与相关伪边际法的比较。
IF 2.6 3区 地球科学 Q1 Mathematics Pub Date : 2024-01-01 Epub Date: 2023-06-02 DOI: 10.1007/s11004-023-10064-y
Lea Friedli, Niklas Linde

A geophysical Bayesian inversion problem may target the posterior distribution of geological or hydrogeological parameters given geophysical data. To account for the scatter in the petrophysical relationship linking the target parameters to the geophysical properties, this study treats the intermediate geophysical properties as latent (unobservable) variables. To perform inversion in such a latent variable model, the intractable likelihood function of the (hydro)geological parameters given the geophysical data needs to be estimated. This can be achieved by approximation with a Gaussian probability density function based on local linearization of the geophysical forward operator, thereby, accounting for the noise in the petrophysical relationship by a corresponding addition to the data covariance matrix. The new approximate method is compared against the general correlated pseudo-marginal method, which estimates the likelihood by Monte Carlo averaging over samples of the latent variable. First, the performances of the two methods are tested on a synthetic test example, in which a multivariate Gaussian porosity field is inferred using crosshole ground-penetrating radar first-arrival travel times. For this example with rather small petrophysical uncertainty, the two methods provide near-identical estimates, while an inversion that ignores petrophysical uncertainty leads to biased estimates. The results of a sensitivity analysis are then used to suggest that the linearized Gaussian approach, while attractive due to its relative computational speed, suffers from a decreasing accuracy with increasing scatter in the petrophysical relationship. The computationally more expensive correlated pseudo-marginal method performs very well even for settings with high petrophysical uncertainty.

地球物理贝叶斯反演问题的目标可能是给定地球物理数据的地质或水文地质参数的后验分布。为了考虑目标参数与地球物理属性之间岩石物理关系的分散性,本研究将中间地球物理属性视为潜变量(不可观测)。要在这种潜变量模型中进行反演,需要对给定地球物理数据的(水文)地质参数的难解似然函数进行估计。这可以通过基于地球物理前向算子局部线性化的高斯概率密度函数近似来实现,从而通过相应增加数据协方差矩阵来考虑岩石物理关系中的噪声。新的近似方法与一般的相关伪边际方法进行了比较,后者通过蒙特卡洛平均潜变量样本来估计似然。首先,在一个合成测试实例中测试了两种方法的性能,在该实例中,利用跨孔探地雷达的首次到达时间推断了多元高斯孔隙度场。对于这个岩石物理不确定性相当小的例子,两种方法提供的估算值几乎相同,而忽略岩石物理不确定性的反演则会导致估算值偏差。敏感性分析的结果表明,线性化高斯方法虽然因其计算速度相对较快而具有吸引力,但随着岩石物理关系散度的增加,其准确性也在下降。而计算成本较高的相关伪边际方法即使在岩石物理不确定性较高的情况下也表现出色。
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引用次数: 0
Unbiased Proxy Calibration 无偏代理校准
IF 2.6 3区 地球科学 Q1 Mathematics Pub Date : 2023-12-19 DOI: 10.1007/s11004-023-10122-5
Manfred Mudelsee

The linear calibration model is a powerful statistical tool that can be utilized to predict an unknown response variable, Y, through observations of a proxy or predictor variable, X. Since calibration involves estimation of regression model parameters on the basis of a limited amount of noisy data, an unbiased calibration slope estimation is of utmost importance. This can be achieved by means of state-of-the-art, data-driven statistical techniques. The present paper shows that weighted least-squares for both variables estimation (WLSXY) is able to deliver unbiased slope estimations under heteroscedasticity. In the case of homoscedasticity, besides WLSXY, ordinary least-squares (OLS) estimation with bias correction (OLSBC) also performs well. For achieving unbiasedness, it is further necessary to take the correct regression direction (i.e., of Y on X) into account. The present paper introduces a pairwise moving block bootstrap resampling approach for obtaining accurate estimation confidence intervals (CIs) under real-world climate conditions (i.e., non-Gaussian distributional shapes and autocorrelations in the noise components). A Monte Carlo simulation experiment confirms the feasibility and validity of this approach. The parameter estimates and bootstrap replications serve to predict the response with CIs. The methodological approach to unbiased calibration is illustrated for a paired time series dataset of sea-surface temperature and coral oxygen isotopic composition. Fortran software with implementation of OLSBC and WLSXY accompanies this paper.

线性校准模型是一种强大的统计工具,可用于通过观测替代变量或预测变量 X 来预测未知响应变量 Y。这可以通过最先进的数据驱动统计技术来实现。本文表明,双变量加权最小二乘法估计(WLSXY)能够在异方差情况下提供无偏的斜率估计。在同方差情况下,除 WLSXY 外,带偏差修正的普通最小二乘法(OLS)估计(OLSBC)也有很好的表现。为了实现无偏,还需要考虑正确的回归方向(即 Y 对 X 的回归方向)。本文介绍了一种成对移动块引导重采样方法,用于在实际气候条件下(即噪声成分的非高斯分布形状和自相关性)获得准确的估计置信区间(CI)。蒙特卡罗模拟实验证实了这种方法的可行性和有效性。参数估计和引导复制可用于预测具有 CIs 的响应。以海面温度和珊瑚氧同位素组成的成对时间序列数据集为例,说明了无偏校准的方法。本文附有实现 OLSBC 和 WLSXY 的 Fortran 软件。
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引用次数: 0
A New Numerical Simulation Framework to Model the Electric Interfacial Polarization Effects and Corresponding Impacts on Complex Dielectric Permittivity Measurements in Sedimentary Rocks 模拟电界面极化效应及其对沉积岩复杂介电常数测量的相应影响的新数值模拟框架
IF 2.6 3区 地球科学 Q1 Mathematics Pub Date : 2023-12-19 DOI: 10.1007/s11004-023-10124-3
Artur Posenato Garcia, Zoya Heidari

A thorough understanding of the interplay between polarization mechanisms is pivotal for the interpretation of electrical measurements, since sub-megahertz electrical measurements in sedimentary rocks are dominated by interfacial polarization mechanisms. Nonetheless, rock-physics models oversimplify pore-network geometry and the interaction of electric double layers relating to adjacent grains. Numerical algorithms present the best possible framework in which to characterize the electrical response of sedimentary rocks, avoiding the constraints intrinsic to rock-physics models. Recently, an algorithm was introduced that can simulate the interactions of electric fields with the ions in solution. The sub-kilohertz permittivity enhancement in sedimentary rocks is dominated by Stern-layer polarization, but a model for the polarization mechanism associated with the Stern layer has not been developed. Hence, the aim of this paper is to develop and test a numerical simulation framework to quantify the influence of Stern- and diffuse-layer polarization, temperature, ion concentration, and pore-network geometry on multi-frequency complex electrical measurements. The algorithm numerically solves the Poisson–Nernst–Planck equations in the time domain and a mineral-dependent electrochemical adsorption/desorption equilibrium model to determine surface charge distribution. Then, the numerical simulator is utilized to perform a sensitivity analysis to quantify the influence of electrolyte and interfacial properties on the permittivity of pore-scale samples at different frequencies.

由于沉积岩中的亚兆赫电气测量主要受界面极化机制的影响,因此透彻了解极化机制之间的相互作用对于解释电气测量结果至关重要。然而,岩石物理学模型过于简化了孔隙网络的几何形状以及与相邻晶粒有关的电双层的相互作用。数值算法是描述沉积岩电响应的最佳框架,避免了岩石物理模型的固有限制。最近推出的一种算法可以模拟电场与溶液中离子的相互作用。沉积岩中的亚千赫介电常数增强主要是由斯特恩层极化引起的,但与斯特恩层相关的极化机制模型尚未建立。因此,本文旨在开发和测试一个数值模拟框架,以量化斯特恩层和扩散层极化、温度、离子浓度和孔隙网络几何形状对多频复杂电学测量的影响。该算法在时域中数值求解泊松-奈恩斯特-普朗克方程和矿物依赖的电化学吸附/解吸平衡模型,以确定表面电荷分布。然后,利用数值模拟器进行敏感性分析,量化电解质和界面特性对不同频率下孔隙尺度样品介电常数的影响。
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引用次数: 0
2023 Andrei Borisovich Vistelius Research Award: Shaunna Morrison
IF 2.6 3区 地球科学 Q1 Mathematics Pub Date : 2023-11-30 DOI: 10.1007/s11004-023-10114-5
Anirudh Prabhu
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引用次数: 0
Automated Machine Learning-Based Landslide Susceptibility Mapping for the Three Gorges Reservoir Area, China 基于机器学习的三峡库区滑坡敏感性自动制图
IF 2.6 3区 地球科学 Q1 Mathematics Pub Date : 2023-11-28 DOI: 10.1007/s11004-023-10116-3
Junwei Ma, Dongze Lei, Zhiyuan Ren, Chunhai Tan, Ding Xia, Haixiang Guo

Machine learning (ML)-based landslide susceptibility mapping (LSM) has achieved substantial success in landslide risk management applications. However, the complexity of classically trained ML is often beyond nonexperts. With the rapid growth of practical applications, an “off-the-shelf” ML technique that can be easily used by nonexperts is highly relevant. In the present study, a new paradigm for an end-to-end ML modeling was adopted for LSM in the Three Gorges Reservoir area (TGRA) using automated machine learning (AutoML) as the backend model support for the paradigm. A well-defined database consisting of data from 290 landslides and 11 conditioning factors was collected for implementing AutoML and compared with classically trained ML approaches. The stacked ensemble model from AutoML achieved the best performance (0.954), surpassing the support vector machine with artificial bee colony optimization (ABC-SVM, 0.931), gray wolf optimization (GWO-SVM, 0.925), particle swarm optimization (PSO-SVM, 0.925), water cycle algorithm (WCA-SVM, 0.925), grid search (GS-SVM, 0.920), multilayer perceptron (MLP, 0.908), classification and regression tree (CART, 0.891), K-nearest neighbor (KNN, 0.898), and random forest (RF, 0.909) in terms of the area under the receiver operating characteristic curve (AUC). Notable improvements of up to 11% in AUC demonstrate that the AutoML approach succeeded in LSM and could be used to select the best model with minimal effort or intervention from the user. Moreover, a simple model that has been customarily ignored by practitioners and researchers has been identified with performance satisfying practical requirements. The experimental results indicate that AutoML provides an attractive alternative to manual ML practice, especially for practitioners with little expert knowledge in ML, by delivering a high-performance off-the-shelf solution for ML model development for LSM.

基于机器学习(ML)的滑坡敏感性制图(LSM)在滑坡风险管理应用中取得了巨大的成功。然而,经过经典训练的机器学习的复杂性往往超出非专业人士。随着实际应用的快速增长,一种非专家可以轻松使用的“现成的”ML技术是高度相关的。在本研究中,采用一种新的端到端机器学习建模范式,以自动机器学习(AutoML)作为该范式的后端模型支持,对三峡库区(TGRA) LSM进行端到端机器学习建模。收集了来自290个滑坡和11个条件因素的数据组成的定义良好的数据库,用于实现AutoML,并与经典训练的ML方法进行了比较。AutoML的堆叠集成模型获得了最好的性能(0.954),超过了人工蜂群优化(ABC-SVM, 0.931)、灰狼优化(GWO-SVM, 0.925)、粒子群优化(PSO-SVM, 0.925)、水循环算法(WCA-SVM, 0.925)、网格搜索(GS-SVM, 0.920)、多层感知器(MLP, 0.908)、分类与回归树(CART, 0.891)、k近邻(KNN, 0.898)和随机森林(RF, 0.908)的支持向量机。0.909),表示接收器工作特性曲线(AUC)下的面积。AUC的显著改进高达11%,这表明AutoML方法在LSM中取得了成功,并且可以在用户最小的努力或干预下选择最佳模型。此外,一个通常被实践者和研究者忽视的简单模型也被证明具有满足实际要求的性能。实验结果表明,通过为LSM的ML模型开发提供高性能的现成解决方案,AutoML为人工ML实践提供了一个有吸引力的替代方案,特别是对于缺乏ML专业知识的从业者。
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引用次数: 0
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Mathematical Geosciences
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