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Two-step hyperparameter optimization method: Accelerating hyperparameter search by using a fraction of a training dataset 两步超参数优化方法:利用训练数据集的一小部分加速超参数搜索
Pub Date : 2023-11-01 DOI: 10.1175/aies-d-23-0013.1
Sungduk Yu, Mike Pritchard, Po-Lun Ma, Balwinder Singh, Sam Silva
Abstract Hyperparameter optimization (HPO) is an important step in machine learning (ML) model development, but common practices are archaic—primarily relying on manual or grid searches. This is partly because adopting advanced HPO algorithms introduces added complexity to the workflow, leading to longer computation times. This poses a notable challenge to ML applications, as suboptimal hyperparameter selections curtail the potential of ML model performance, ultimately obstructing the full exploitation of ML techniques. In this article, we present a two-step HPO method as a strategic solution to curbing computational demands and wait times, gleaned from practical experiences in applied ML parameterization work. The initial phase involves a preliminary evaluation of hyperparameters on a small subset of the training dataset, followed by a re-evaluation of the top-performing candidate models post-retraining with the entire training dataset. This two-step HPO method is universally applicable across HPO search algorithms, and we argue it has attractive efficiency gains. As a case study, we present our recent application of the two-step HPO method to the development of neural network emulators for aerosol activation. Although our primary use case is a data-rich limit with many millions of samples, we also find that using up to 0.0025% of the data—a few thousand samples—in the initial step is sufficient to find optimal hyperparameter configurations from much more extensive sampling, achieving up to 135× speed-up. The benefits of this method materialize through an assessment of hyperparameters and model performance, revealing the minimal model complexity required to achieve the best performance. The assortment of top-performing models harvested from the HPO process allows us to choose a high-performing model with a low inference cost for efficient use in global climate models (GCMs).
超参数优化(HPO)是机器学习(ML)模型开发中的重要步骤,但常见的做法是过时的-主要依赖于手动或网格搜索。部分原因是采用先进的HPO算法会增加工作流程的复杂性,从而导致更长的计算时间。这对机器学习应用提出了一个显著的挑战,因为次优超参数选择限制了机器学习模型性能的潜力,最终阻碍了机器学习技术的充分利用。在本文中,我们提出了一种两步HPO方法,作为抑制计算需求和等待时间的战略解决方案,收集了应用机器学习参数化工作的实际经验。初始阶段包括在训练数据集的一小部分上对超参数进行初步评估,然后在使用整个训练数据集进行再训练后对表现最佳的候选模型进行重新评估。这种两步HPO方法普遍适用于所有HPO搜索算法,并且我们认为它具有吸引人的效率增益。作为一个案例研究,我们介绍了我们最近将两步HPO方法应用于气溶胶激活神经网络模拟器的开发。尽管我们的主要用例是具有数百万个样本的数据丰富的限制,但我们也发现,在初始步骤中使用高达0.0025%的数据(几千个样本)足以从更广泛的采样中找到最佳的超参数配置,从而实现高达135倍的加速。这种方法的好处是通过对超参数和模型性能的评估来实现的,揭示了实现最佳性能所需的最小模型复杂性。从HPO过程中获得的各种高性能模型使我们能够选择一个具有低推理成本的高性能模型,以便在全球气候模型(GCMs)中有效使用。
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引用次数: 0
Exploring the Use of Machine Learning to Improve Vertical Profiles of Temperature and Moisture 探索使用机器学习来改善温度和湿度的垂直分布
Pub Date : 2023-10-27 DOI: 10.1175/aies-d-22-0090.1
Katherine Haynes, Jason Stock, Jack Dostalek, Charles Anderson, Imme Ebert-Uphoff
Abstract Vertical profiles of temperature and dewpoint are useful in predicting deep convection that leads to severe weather which threatens property and lives. Currently, forecasters rely on observations from radiosonde launches and numerical weather prediction (NWP) models. Radiosonde observations are, however, temporally and spatially sparse, and NWP models contain inherent errors that influence short-term predictions of high impact events. This work explores using machine learning (ML) to postprocess NWP model forecasts, combining them with satellite data to improve vertical profiles of temperature and dewpoint. We focus on different ML architectures, loss functions, and input features to optimize predictions. Because we are predicting vertical profiles at 256 levels in the atmosphere, this work provides a unique perspective at using ML for 1-D tasks. Compared to baseline profiles from the Rapid Refresh (RAP), ML predictions offer the largest improvement for dewpoint, particularly in the mid- and upper-atmosphere. Temperature improvements are modest, but CAPE values are improved by up to 40%. Feature importance analyses indicate that the ML models are primarily improving incoming RAP biases. While additional model and satellite data offer some improvement to the predictions, architecture choice is more important than feature selection in fine-tuning the results. Our proposed deep residual UNet performs the best by leveraging spatial context from the input RAP profiles; however, the results are remarkably robust across model architecture. Further, uncertainty estimates for every level are well-calibrated and can provide useful information to forecasters.
温度和露点的垂直剖面图对于预测导致严重天气威胁财产和生命的深层对流是有用的。目前,预报员依靠无线电探空仪发射和数值天气预报(NWP)模式的观测结果。然而,探空观测在时间和空间上都是稀疏的,而且NWP模式包含影响高撞击事件短期预测的固有误差。这项工作探索了使用机器学习(ML)对NWP模型预测进行后处理,并将其与卫星数据相结合,以改善温度和露点的垂直剖面。我们专注于不同的机器学习架构、损失函数和输入特征来优化预测。由于我们正在预测大气中256层的垂直剖面,因此这项工作为使用ML进行一维任务提供了独特的视角。与快速刷新(RAP)的基线剖面相比,ML预测在露点方面提供了最大的改进,特别是在中高层大气中。温度的改善是适度的,但CAPE值提高了高达40%。特征重要性分析表明,机器学习模型主要是改善传入的RAP偏差。虽然额外的模型和卫星数据为预测提供了一些改进,但在微调结果时,架构选择比特征选择更重要。我们提出的深度残差UNet通过利用来自输入RAP剖面的空间背景而表现最佳;然而,结果在整个模型体系结构中是非常健壮的。此外,每个水平的不确定性估计都经过了很好的校准,可以为预报员提供有用的信息。
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引用次数: 0
Physics-constrained deep learning postprocessing of temperature and humidity 物理约束的深度学习温度和湿度后处理
Pub Date : 2023-10-24 DOI: 10.1175/aies-d-22-0089.1
Francesco Zanetta, Daniele Nerini, Tom Beucler, Mark A. Liniger
Abstract Weather forecasting centers currently rely on statistical postprocessing methods to minimize forecast error. This improves skill but can lead to predictions that violate physical principles or disregard dependencies between variables, which can be problematic for downstream applications and for the trustworthiness of postprocessing models, especially when they are based on new machine learning approaches. Building on recent advances in physics-informed machine learning, we propose to achieve physical consistency in deep learning-based postprocessing models by integrating meteorological expertise in the form of analytic equations. Applied to the post-processing of surface weather in Switzerland, we find that constraining a neural network to enforce thermodynamic state equations yields physically-consistent predictions of temperature and humidity without compromising performance. Our approach is especially advantageous when data is scarce, and our findings suggest that incorporating domain expertise into postprocessing models allows the optimization of weather forecast information while satisfying application-specific requirements.
摘要气象预报中心目前主要依靠统计后处理方法来减少预报误差。这提高了技能,但可能导致预测违反物理原理或忽略变量之间的依赖关系,这可能会对下游应用程序和后处理模型的可信度造成问题,特别是当它们基于新的机器学习方法时。基于物理信息机器学习的最新进展,我们建议通过以解析方程的形式整合气象专业知识,在基于深度学习的后处理模型中实现物理一致性。应用于瑞士地表天气的后处理,我们发现约束神经网络来执行热力学状态方程可以在不影响性能的情况下产生物理上一致的温度和湿度预测。当数据稀缺时,我们的方法尤其有利,我们的研究结果表明,将领域专业知识纳入后处理模型可以在满足特定应用需求的同时优化天气预报信息。
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引用次数: 0
Deep Learning Parameterization of Vertical Wind Velocity Variability via Constrained Adversarial Training 基于约束对抗训练的垂直风速变异性的深度学习参数化
Pub Date : 2023-10-10 DOI: 10.1175/aies-d-23-0025.1
Donifan Barahona, Katherine H. Breen, Heike Kalesse-Los, Johannes Röttenbacher
Abstract Atmospheric models with typical resolution in the tenths of kilometers cannot resolve the dynamics of air parcel ascent, which varies on scales ranging from tens to hundreds of meters. Small-scale wind fluctuations are thus characterized by a subgrid distribution of vertical wind velocity, W , with standard deviation σ W . The parameterization of σ W is fundamental to the representation of aerosol-cloud interactions, yet it is poorly constrained. Using a novel deep learning technique, this work develops a new parameterization for σ W merging data from global storm-resolving model simulations, high-frequency retrievals of W , and climate reanalysis products. The parameterization reproduces the observed statistics of σ W and leverages learned physical relations from the model simulations to guide extrapolation beyond the observed domain. Incorporating observational data during the training phase was found to be critical for its performance. The parameterization can be applied online within large-scale atmospheric models, or offline using output from weather forecasting and reanalysis products.
典型的分辨率在十分之一公里的大气模式无法解析在几十到几百米尺度上变化的气包上升动力学。因此,小尺度风波动的特征是垂直风速W的亚网格分布,标准差为σ W。σ W的参数化是表征气溶胶-云相互作用的基础,但它的约束很差。本文利用一种新颖的深度学习技术,开发了一种新的参数化方法,将全球风暴分辨模式模拟数据、W的高频检索数据和气候再分析产品相结合。参数化再现了σ W的观测统计量,并利用从模型模拟中学习到的物理关系来指导观测域之外的外推。在训练阶段纳入观测数据对其性能至关重要。参数化可以在线应用于大尺度大气模式,也可以离线应用于天气预报和再分析产品的输出。
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引用次数: 0
Machine learning for non-orographic gravity waves in a climate model 气候模型中非地形重力波的机器学习
Pub Date : 2023-10-04 DOI: 10.1175/aies-d-22-0081.1
Steven C Hardiman, Adam A Scaife, Annelize van Niekerk, Rachel Prudden, Aled Owen, Samantha V Adams, Tom Dunstan, Nick J Dunstone, Sam Madge
Abstract There is growing use of machine learning algorithms to replicate sub-grid parametrisation schemes in global climate models. Parametrisations rely on approximations, thus there is potential for machine learning to aid improvements. In this study, a neural network is used to mimic the behaviour of the non-orographic gravity wave scheme used in the Met Office climate model, important for stratospheric climate and variability. The neural network is found to require only two of the six inputs used by the parametrisation scheme, suggesting the potential for greater efficiency in this scheme. Use of a one-dimensional mechanistic model is advocated, allowing neural network hyperparameters to be chosen based on emergent features of the coupled system with minimal computational cost, and providing a test bed prior to coupling to a climate model. A climate model simulation, using the neural network in place of the existing parametrisation scheme, is found to accurately generate a quasi-biennial oscillation of the tropical stratospheric winds, and correctly simulate the non-orographic gravity wave variability associated with the El Niño Southern Oscillation and stratospheric polar vortex variability. These internal sources of variability are essential for providing seasonal forecast skill, and the gravity wave forcing associated with them is reproduced without explicit training for these patterns.
越来越多的人使用机器学习算法来复制全球气候模型中的子网格参数化方案。参数化依赖于近似值,因此机器学习有可能帮助改进。在这项研究中,一个神经网络被用来模拟英国气象局气候模式中使用的非地形重力波方案的行为,这对平流层气候和变率很重要。发现神经网络只需要参数化方案使用的六个输入中的两个,这表明该方案具有更高效率的潜力。提倡使用一维机制模型,允许以最小的计算成本根据耦合系统的紧急特征选择神经网络超参数,并在耦合到气候模型之前提供一个试验台。使用神经网络代替现有参数化方案的气候模式模拟,可以准确地生成热带平流层风的准两年一次振荡,并正确地模拟与El Niño南方涛动和平流层极涡变化相关的非地形重力波变率。这些内部变率源对于提供季节预报技能是必不可少的,而与之相关的重力波强迫是在没有对这些模式进行明确训练的情况下重现的。
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引用次数: 0
Multivariate emulation of kilometer-scale numerical weather predictions with generative adversarial networks: a proof-of-concept 基于生成对抗网络的千米尺度数值天气预报的多元模拟:概念验证
Pub Date : 2023-10-01 DOI: 10.1175/aies-d-23-0006.1
Clément Brochet, Laure Raynaud, Nicolas Thome, Matthieu Plu, Clément Rambour
Emulating numerical weather prediction (NWP) model outputs is important to compute large datasets of weather fields in an efficient way. The purpose of the present paper is to investigate the ability of generative adversarial networks (GAN) to emulate distributions of multivariate outputs (10-meter wind and 2-meter temperature) of a kilometer-scale NWP model. For that purpose, a residual GAN architecture, regularized with spectral normalization, is trained against a kilometer-scale dataset from the AROME ensemble prediction system (AROME-EPS). A wide range of metrics is used for quality assessment, including pixel-wise and multi-scale earth-mover distances, spectral analysis, and correlation length scales. The use of wavelet-based scattering coefficients as meaningful metrics is also presented. The GAN generates samples with good distribution recovery and good skill in average spectrum reconstruction. Important local weather patterns are reproduced with a high level of detail, while the joint generation of multivariate samples matches the underlying AROME-EPS distribution. The different metrics introduced describe the GAN’s behavior in a complementary manner, highlighting the need to go beyond spectral analysis in generation quality assessment. An ablation study then shows that removing variables from the generation process is globally beneficial, pointing at the GAN limitations to leverage cross-variable correlations. The role of absolute positional bias in the training process is also characterized, explaining both accelerated learning and quality-diversity trade-off in the multivariate emulation. These results open perspectives about the use of GAN to enrich NWP ensemble approaches, provided that the aforementioned positional bias is properly controlled.
摘要模拟数值天气预报(NWP)模式输出对于高效计算大型天气场数据集具有重要意义。本文的目的是研究生成对抗网络(gan)模拟千米尺度NWP模型的多变量输出(10米风和2米温度)分布的能力。为此,使用光谱归一化进行正则化的残差GAN架构,针对来自AROME集合预测系统(AROME- eps)的公里尺度数据集进行训练。用于质量评估的度量范围很广,包括像素和多尺度土方距离、光谱分析和相关长度尺度。本文还介绍了利用小波散射系数作为有意义的度量。GAN生成的样本具有良好的分布恢复能力和较好的平均谱重建能力。重要的当地天气模式以高水平的细节重现,而多变量样本的联合生成与潜在的AROME-EPS分布相匹配。引入的不同指标以互补的方式描述了GAN的行为,强调了在发电质量评估中需要超越频谱分析。一项消融研究表明,从生成过程中去除变量是全局有益的,指出了氮化镓在利用交叉变量相关性方面的局限性。绝对位置偏差在训练过程中的作用也被描述,解释了多元仿真中的加速学习和质量多样性权衡。这些结果打开了使用GAN来丰富NWP集成方法的视角,前提是上述位置偏差得到适当控制。
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引用次数: 0
AMS Publications Support for Open, Transparent, and Equitable Research AMS出版物支持开放、透明和公平的研究
Pub Date : 2023-10-01 DOI: 10.1175/aies-d-23-0079.1
Douglas Schuster, Michael Friedman
© 2023 American Meteorological Society. This published article is licensed under the terms of the default AMS reuse license. For information regarding reuse of this content and general copyright information, consult the AMS Copyright Policy (www.ametsoc.org/PUBSReuseLicenses).
©2023美国气象学会。这篇文章是根据默认的AMS重用许可条款发布的。有关重用此内容和一般版权信息的信息,请参阅AMS版权政策(www.ametsoc.org/PUBSReuseLicenses)。
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引用次数: 0
Exploring Randomly Wired Neural Networks for Climate Model Emulation 探索随机连线神经网络在气候模型仿真中的应用
Pub Date : 2023-10-01 DOI: 10.1175/aies-d-22-0088.1
William Yik, Sam J. Silva, Andrew Geiss, Duncan Watson-Parris
Abstract Exploring the climate impacts of various anthropogenic emissions scenarios is key to making informed decisions for climate change mitigation and adaptation. State-of-the-art Earth system models can provide detailed insight into these impacts but have a large associated computational cost on a per-scenario basis. This large computational burden has driven recent interest in developing cheap machine learning models for the task of climate model emulation. In this paper, we explore the efficacy of randomly wired neural networks for this task. We describe how they can be constructed and compare them with their standard feedforward counterparts using the ClimateBench dataset. Specifically, we replace the serially connected dense layers in multilayer perceptrons, convolutional neural networks, and convolutional long short-term memory networks with randomly wired dense layers and assess the impact on model performance for models with 1 million and 10 million parameters. We find that models with less-complex architectures see the greatest performance improvement with the addition of random wiring (up to 30.4% for multilayer perceptrons). Furthermore, of 24 different model architecture, parameter count, and prediction task combinations, only one had a statistically significant performance deficit in randomly wired networks relative to their standard counterparts, with 14 cases showing statistically significant improvement. We also find no significant difference in prediction speed between networks with standard feedforward dense layers and those with randomly wired layers. These findings indicate that randomly wired neural networks may be suitable direct replacements for traditional dense layers in many standard models. Significance Statement Modeling various greenhouse gas and aerosol emissions scenarios is important for both understanding climate change and making informed political and economic decisions. However, accomplishing this with large Earth system models is a complex and computationally expensive task. As such, data-driven machine learning models have risen in prevalence as cheap emulators of Earth system models. In this work, we explore a special type of machine learning model called randomly wired neural networks and find that they perform competitively for the task of climate model emulation. This indicates that future machine learning models for emulation may significantly benefit from using randomly wired neural networks as opposed to their more-standard counterparts.
探索各种人为排放情景对气候的影响是制定明智决策以减缓和适应气候变化的关键。最先进的地球系统模型可以提供这些影响的详细信息,但在每个情景的基础上有很大的相关计算成本。这种巨大的计算负担促使人们最近对开发用于气候模型模拟任务的廉价机器学习模型产生了兴趣。在本文中,我们探讨了随机连线神经网络在这一任务中的有效性。我们描述了如何构建它们,并将它们与使用ClimateBench数据集的标准前馈对应物进行了比较。具体来说,我们将多层感知器、卷积神经网络和卷积长短期记忆网络中的连续连接的密集层替换为随机连接的密集层,并评估了具有100万个和1000万个参数的模型对模型性能的影响。我们发现,随着随机连接的增加,结构不太复杂的模型的性能提高最大(多层感知器的性能提高高达30.4%)。此外,在24种不同的模型架构、参数计数和预测任务组合中,在随机有线网络中,相对于标准网络,只有一种具有统计上显着的性能缺陷,14种情况显示出统计上显着的改善。我们还发现,具有标准前馈密集层的网络与具有随机连线层的网络在预测速度上没有显著差异。这些发现表明,在许多标准模型中,随机连线神经网络可能适合直接替代传统的密集层。模拟各种温室气体和气溶胶排放情景对于了解气候变化和做出明智的政治和经济决策都很重要。然而,用大型地球系统模型来完成这一任务是一项复杂且计算成本高昂的任务。因此,数据驱动的机器学习模型作为地球系统模型的廉价模拟器已经越来越流行。在这项工作中,我们探索了一种特殊类型的机器学习模型,称为随机连线神经网络,并发现它们在气候模型模拟任务中表现得很有竞争力。这表明,未来用于仿真的机器学习模型可能会从使用随机连接的神经网络中获益,而不是使用更标准的神经网络。
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引用次数: 0
Equity, Inclusion, and Justice: An Opportunity for Action for AMS Publications Stakeholders 公平,包容和正义:AMS出版物利益相关者的行动机会
Pub Date : 2023-10-01 DOI: 10.1175/aies-d-23-0072.1
_ _
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引用次数: 0
Environment-aware digital twins: incorporating weather and climate information to support risk-based decision-making. 环境意识数字孪生:结合天气和气候信息,支持基于风险的决策。
Pub Date : 2023-10-01 DOI: 10.1175/aies-d-23-0023.1
Kirstine I. Dale, Edward C. D. Pope, Aaron R. Hopkinson, Theo McCaie, Jason A. Lowe
Abstract Digital twins are a transformative technology that can significantly strengthen climate adaptation and mitigation decision-making. Through provision of dynamic, virtual representations of physical systems, making intelligent use of multidisciplinary data, and high-fidelity simulations they equip decision-makers with the information they need, when they need it, marking a step change in how we extract value from data and models. While digital twins are commonplace in some industrial sectors, they are an emerging concept in the environmental sciences and practical demonstrations are limited, partly due to the challenges of representing complex environmental systems. Collaboration on challenges of mutual interest will unlock digital twins’ potential. To bridge the current gap between digital twins for industrial sectors and those of the environment, we identify the need for “environment aware” digital twins (EA-DT) that are a federation of digital twins of environmentally sensitive systems with weather, climate, and environmental information systems. As weather extremes become more frequent and severe, the importance of building weather, climate, and environmental information into digital twins of critical systems such as cities, ports, flood barriers, energy grids, and transport networks increases. Delivering societal benefits will also require significant advances in climate-related decision-making, which lags behind other applications. Progress relies on moving beyond heuristics, and driving advances in the decision sciences informed by new theoretical insights, machine learning and artificial intelligence. To support the use of EA-DTs, we propose a new ontology that stimulates thinking about application and best practice for decision-making so that we are resilient to the challenges of today’s weather and tomorrow’s climate.
数字孪生是一种变革性技术,可以显著加强气候适应和减缓决策。通过提供物理系统的动态虚拟表示,智能地使用多学科数据和高保真度模拟,他们为决策者提供了他们需要的信息,当他们需要它时,标志着我们如何从数据和模型中提取价值的一个步骤变化。虽然数字孪生在一些工业部门很常见,但它们在环境科学中是一个新兴概念,实际演示有限,部分原因是代表复杂的环境系统存在挑战。在共同关心的挑战上进行合作将释放数字孪生的潜力。为了弥合目前工业部门的数字孪生与环境部门的数字孪生之间的差距,我们确定需要“环境意识”数字孪生(EA-DT),这是具有天气、气候和环境信息系统的环境敏感系统的数字孪生联盟。随着极端天气变得越来越频繁和严重,将天气、气候和环境信息构建到城市、港口、防洪屏障、能源网和交通网络等关键系统的数字孪生中的重要性日益增加。实现社会效益还需要在与气候相关的决策方面取得重大进展,而这方面的进展落后于其他应用。进步依赖于超越启发式,并通过新的理论见解、机器学习和人工智能推动决策科学的进步。为了支持ea - dt的使用,我们提出了一个新的本体,它可以激发对应用和决策最佳实践的思考,从而使我们能够适应今天天气和明天气候的挑战。
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引用次数: 0
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Artificial intelligence for the earth systems
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