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Radiative transfer (RT) is a crucial but computationally expensive process in numerical weather/climate prediction. We develop neural networks (NN) to emulate a common RT parameterization called the Rapid Radiative Transfer Model (RRTM), with the goal of creating a faster parameterization for the Global Forecast System (GFS) v16. In previous work we emulated a highly simplified version of the shortwave RRTM only—excluding many predictor variables, driven by Rapid Refresh forecasts interpolated to a consistent height grid, using only 30 sites in the Northern Hemisphere. In this work we emulate the full shortwave and longwave RRTM—with all predictor variables, driven by GFSv16 forecasts on the native pressure–sigma grid, using data from around the globe. We experiment with NNs of widely varying complexity, including the U-net++ and U-net3+ architectures and deeply supervised training, designed to ensure realistic and accurate structure in gridded predictions. We evaluate the optimal shortwave NN and optimal longwave NN in great detail—as a function of geographic location, cloud regime, and other weather types. Both NNs produce extremely reliable heating rates and fluxes. The shortwave NN has an overall RMSE/MAE/bias of 0.14/0.08/−0.002 K day⁻¹for heating rate and 6.3/4.3/−0.1 W m⁻²for net flux. Analogous numbers for the longwave NN are 0.22/0.12/−0.0006 K day⁻¹and 1.07/0.76/+0.01 W m⁻². Both NNs perform well in nearly all situations, and the shortwave (longwave) NN is 7510 (90) times faster than the RRTM. Both will soon be tested online in the GFSv16.

Radiative transfer is an important process for weather and climate. Accurate radiative transfer models exist, such as the RRTM, but these models are computationally slow. We develop neural networks (NNs), a type of machine learning model that is often computationally fast after training, to mimic the RRTM. We wish to accelerate the RRTM by orders of magnitude without sacrificing much accuracy. We drive both the NNs and RRTM with data from the GFSv16, an operational weather model, using locations around the globe during all seasons. We show that the NNs are highly accurate and much faster than the RRTM, which suggests that the NNs could be used to solve radiative transfer inside the GFSv16.

 

Abstract Many of our generation’s most pressing environmental science problems are wicked problems, which means they cannot be cleanly isolated and solved with a single ‘correct’ answer (e.g., Rittel 1973; Wirz 2021). The NSF AI Institute for Research on Trustworthy AI in Weather, Climate, and Coastal Oceanography (AI2ES) seeks to address such problems by developing synergistic approaches with a team of scientists from three disciplines: environmental science (including atmospheric, ocean, and other physical sciences), AI, and social science including risk communication. As part of our work, we developed a novel approach to summer school, held from June 27-30, 2022. The goal of this summer school was to teach a new generation of environmental scientists how to cross disciplines and develop approaches that integrate all three disciplinary perspectives and approaches in order to solve environmental science problems. In addition to a lecture series that focused on the synthesis of AI, environmental science, and risk communication, this year’s summer school included a unique Trust-a-thon component where participants gained hands-on experience applying both risk communication and explainable AI techniques to pre-trained ML models. We had 677 participants from 63 countries register and attend online. Lecture topics included trust and trustworthiness (Day 1), explainability and interpretability (Day 2), data and workflows (Day 3), and uncertainty quantification (Day 4). For the Trust-a-thon we developed challenge problems for three different application domains: (1) severe storms, (2) tropical cyclones, and (3) space weather. Each domain had associated user persona to guide user-centered development. 

Abstract Convolutional neural networks (CNNs) have recently attracted great attention in geoscience due to their ability to capture non-linear system behavior and extract predictive spatiotemporal patterns. Given their black-box nature however, and the importance of prediction explainability, methods of explainable artificial intelligence (XAI) are gaining popularity as a means to explain the CNN decision-making strategy. Here, we establish an intercomparison of some of the most popular XAI methods and investigate their fidelity in explaining CNN decisions for geoscientific applications. Our goal is to raise awareness of the theoretical limitations of these methods and gain insight into the relative strengths and weaknesses to help guide best practices. The considered XAI methods are first applied to an idealized attribution benchmark, where the ground truth of explanation of the network is known a priori , to help objectively assess their performance. Secondly, we apply XAI to a climate-related prediction setting, namely to explain a CNN that is trained to predict the number of atmospheric rivers in daily snapshots of climate simulations. Our results highlight several important issues of XAI methods (e.g., gradient shattering, inability to distinguish the sign of attribution, ignorance to zero input) that have previously been overlooked in our field and, if not considered cautiously, may lead to a distorted picture of the CNN decision-making strategy. We envision that our analysis will motivate further investigation into XAI fidelity and will help towards a cautious implementation of XAI in geoscience, which can lead to further exploitation of CNNs and deep learning for prediction problems. 

Abstract Despite the increasingly successful application of neural networks to many problems in the geosciences, their complex and nonlinear structure makes the interpretation of their predictions difficult, which limits model trust and does not allow scientists to gain physical insights about the problem at hand. Many different methods have been introduced in the emerging field of eXplainable Artificial Intelligence (XAI), which aims at attributing the network’s prediction to specific features in the input domain. XAI methods are usually assessed by using benchmark datasets (such as MNIST or ImageNet for image classification). However, an objective, theoretically derived ground truth for the attribution is lacking for most of these datasets, making the assessment of XAI in many cases subjective. Also, benchmark datasets specifically designed for problems in geosciences are rare. Here, we provide a framework, based on the use of additively separable functions, to generate attribution benchmark datasets for regression problems for which the ground truth of the attribution is known a priori. We generate a large benchmark dataset and train a fully connected network to learn the underlying function that was used for simulation. We then compare estimated heatmaps from different XAI methods to the ground truth in order to identify examples where specific XAI methods perform well or poorly. We believe that attribution benchmarks as the ones introduced herein are of great importance for further application of neural networks in the geosciences, and for more objective assessment and accurate implementation of XAI methods, which will increase model trust and assist in discovering new science. 

Methods of explainable artificial intelligence (XAI) are used in geoscientific applications to gain insights into the decision-making strategy of neural networks (NNs), highlighting which features in the input contribute the most to a NN prediction. Here, we discuss our “lesson learned” that the task of attributing a prediction to the input does not have a single solution. Instead, the attribution results depend greatly on the considered baseline that the XAI method utilizes—a fact that has been overlooked in the geoscientific literature. The baseline is a reference point to which the prediction is compared so that the prediction can be understood. This baseline can be chosen by the user or is set by construction in the method’s algorithm—often without the user being aware of that choice. We highlight that different baselines can lead to different insights for different science questions and, thus, should be chosen accordingly. To illustrate the impact of the baseline, we use a large ensemble of historical and future climate simulations forced with the shared socioeconomic pathway 3-7.0 (SSP3-7.0) scenario and train a fully connected NN to predict the ensemble- and global-mean temperature (i.e., the forced global warming signal) given an annual temperature map from an individual ensemble member. We then use various XAI methods and different baselines to attribute the network predictions to the input. We show that attributions differ substantially when considering different baselines, because they correspond to answering different science questions. We conclude by discussing important implications and considerations about the use of baselines in XAI research.

In recent years, methods of explainable artificial intelligence (XAI) have found great application in geoscientific applications, because they can be used to attribute the predictions of neural networks (NNs) to the input and interpret them physically. Here, we highlight that the attributions—and the physical interpretation—depend greatly on the choice of the baseline—a fact that has been overlooked in the geoscientific literature. We illustrate this dependence for a specific climate task, in which a NN is trained to predict the ensemble- and global-mean temperature (i.e., the forced global warming signal) given an annual temperature map from an individual ensemble member. We show that attributions differ substantially when considering different baselines, because they correspond to answering different science questions.

 

Abstract We introduce the National Science Foundation (NSF) AI Institute for Research on Trustworthy AI in Weather, Climate, and Coastal Oceanography (AI2ES). This AI institute was funded in 2020 as part of a new initiative from the NSF to advance foundational AI research across a wide variety of domains. To date AI2ES is the only NSF AI institute focusing on environmental science applications. Our institute focuses on developing trustworthy AI methods for weather, climate, and coastal hazards. The AI methods will revolutionize our understanding and prediction of high-impact atmospheric and ocean science phenomena and will be utilized by diverse, professional user groups to reduce risks to society. In addition, we are creating novel educational paths, including a new degree program at a community college serving underrepresented minorities, to improve workforce diversity for both AI and environmental science. 

Topological data analysis (TDA) is a tool from data science and mathematics that is beginning to make waves in environmental science. In this work, we seek to provide an intuitive and understandable introduction to a tool from TDA that is particularly useful for the analysis of imagery, namely, persistent homology. We briefly discuss the theoretical background but focus primarily on understanding the output of this tool and discussing what information it can glean. To this end, we frame our discussion around a guiding example of classifying satellite images from the sugar, fish, flower, and gravel dataset produced for the study of mesoscale organization of clouds by Rasp et al. We demonstrate how persistent homology and its vectorization, persistence landscapes, can be used in a workflow with a simple machine learning algorithm to obtain good results, and we explore in detail how we can explain this behavior in terms of image-level features. One of the core strengths of persistent homology is how interpretable it can be, so throughout this paper we discuss not just the patterns we find but why those results are to be expected given what we know about the theory of persistent homology. Our goal is that readers of this paper will leave with a better understanding of TDA and persistent homology, will be able to identify problems and datasets of their own for which persistent homology could be helpful, and will gain an understanding of the results they obtain from applying the included GitHub example code.

Information such as the geometric structure and texture of image data can greatly support the inference of the physical state of an observed Earth system, for example, in remote sensing to determine whether wildfires are active or to identify local climate zones. Persistent homology is a branch of topological data analysis that allows one to extract such information in an interpretable way—unlike black-box methods like deep neural networks. The purpose of this paper is to explain in an intuitive manner what persistent homology is and how researchers in environmental science can use it to create interpretable models. We demonstrate the approach to identify certain cloud patterns from satellite imagery and find that the resulting model is indeed interpretable.

 

In the last decade, much work in atmospheric science has focused on spatial verification (SV) methods for gridded prediction, which overcome serious disadvantages of pixelwise verification. However, neural networks (NN) in atmospheric science are almost always trained to optimize pixelwise loss functions, even when ultimately assessed with SV methods. This establishes a disconnect between model verification during versus after training. To address this issue, we develop spatially enhanced loss functions (SELF) and demonstrate their use for a real-world problem: predicting the occurrence of thunderstorms (henceforth, “convection”) with NNs. In each SELF we use either a neighborhood filter, which highlights convection at scales larger than a threshold, or a spectral filter (employing Fourier or wavelet decomposition), which is more flexible and highlights convection at scales between two thresholds. We use these filters to spatially enhance common verification scores, such as the Brier score. We train each NN with a different SELF and compare their performance at many scales of convection, from discrete storm cells to tropical cyclones. Among our many findings are that (i) for a low or high risk threshold, the ideal SELF focuses on small or large scales, respectively; (ii) models trained with a pixelwise loss function perform surprisingly well; and (iii) nevertheless, models trained with a spectral filter produce much better-calibrated probabilities than a pixelwise model. We provide a general guide to using SELFs, including technical challenges and the final Python code, as well as demonstrating their use for the convection problem. To our knowledge this is the most in-depth guide to SELFs in the geosciences.

Gridded predictions, in which a quantity is predicted at every pixel in space, should be verified with spatially aware methods rather than pixel by pixel. Neural networks (NN), which are often used for gridded prediction, are trained to minimize an error value called the loss function. NN loss functions in atmospheric science are almost always pixelwise, which causes the predictions to miss rare events and contain unrealistic spatial patterns. We use spatial filters to enhance NN loss functions, and we test our novel spatially enhanced loss functions (SELF) on thunderstorm prediction. We find that different SELFs work better for different scales (i.e., different-sized thunderstorm complexes) and that spectral filters, one of the two filter types, produce unexpectedly well calibrated thunderstorm probabilities.

 

Abstract This paper describes the development of U-net++ models, a type of neural network that performs deep learning, to emulate the shortwave Rapid Radiative-transfer Model (RRTM). The goal is to emulate the RRTM accurately in a small fraction of the computing time, creating a U-net++ that could be used as a parameterization in numerical weather prediction (NWP). Target variables are surface downwelling flux, top-of-atmosphere upwelling flux ( ), net flux, and a profile of radiative-heating rates. We have devised several ways to make the U-net++ models knowledge-guided, recently identified as a key priority in machine learning (ML) applications to the geosciences. We conduct two experiments to find the best U-net++ configurations. In Experiment 1, we train on non-tropical sites and test on tropical sites, to assess extreme spatial generalization. In Experiment 2, we train on sites from all regions and test on different sites from all regions, with the goal of creating the best possible model for use in NWP. The selected model from Experiment 1 shows impressive skill on the tropical testing sites, except four notable deficiencies: large bias and error for heating rate in the upper stratosphere, unreliable for profiles with single-layer liquid cloud, large heating-rate bias in the mid-troposphere for profiles with multi-layer liquid cloud, and negative bias at lowzenith angles for all flux components and tropospheric heating rates. The selected model from Experiment 2 corrects all but the first deficiency, and both models run ~10 4 times faster than the RRTM. Our code is available publicly. 

Neural networks (NN) have become an important tool for prediction tasks—both regression and classification—in environmental science. Since many environmental-science problems involve life-or-death decisions and policy making, it is crucial to provide not only predictions but also an estimate of the uncertainty in the predictions. Until recently, very few tools were available to provide uncertainty quantification (UQ) for NN predictions. However, in recent years the computer-science field has developed numerous UQ approaches, and several research groups are exploring how to apply these approaches in environmental science. We provide an accessible introduction to six of these UQ approaches, then focus on tools for the next step, namely, to answer the question:Once we obtain an uncertainty estimate (using any approach), how do we know whether it is good or bad?To answer this question, we highlight four evaluation graphics and eight evaluation scores that are well suited for evaluating and comparing uncertainty estimates (NN based or otherwise) for environmental-science applications. We demonstrate the UQ approaches and UQ-evaluation methods for two real-world problems: 1) estimating vertical profiles of atmospheric dewpoint (a regression task) and 2) predicting convection over Taiwan based onHimawari-8satellite imagery (a classification task). We also provide Jupyter notebooks with Python code for implementing the UQ approaches and UQ-evaluation methods discussed herein. This article provides the environmental-science community with the knowledge and tools to start incorporating the large number of emerging UQ methods into their research.

Neural networks are used for many environmental-science applications, some involving life-or-death decision-making. In recent years new methods have been developed to provide much-needed uncertainty estimates for NN predictions. We seek to accelerate the adoption of these methods in the environmental-science community with an accessible introduction to 1) methods for computing uncertainty estimates in NN predictions and 2) methods for evaluating such estimates.