Mike Pritchard

Morteza Mardani, Noah Brenowitz, Yair Cohen et al. · nvidia

The state of the art for physical hazard prediction from weather and climate requires expensive km-scale numerical simulations driven by coarser resolution global inputs. Here, a generative diffusion architecture is explored for downscaling such global inputs to km-scale, as a cost-effective machine learning alternative. The model is trained to predict 2km data from a regional weather model over Taiwan, conditioned on a 25km global reanalysis. To address the large resolution ratio, different physics involved at different scales and prediction of channels beyond those in the input data, we employ a two-step approach where a UNet predicts the mean and a corrector diffusion (CorrDiff) model predicts the residual. CorrDiff exhibits encouraging skill in bulk MAE and CRPS scores. The predicted spectra and distributions from CorrDiff faithfully recover important power law relationships in the target data. Case studies of coherent weather phenomena show that CorrDiff can help sharpen wind and temperature gradients that co-locate with intense rainfall in cold front, and can help intensify typhoons and synthesize rain band structures. Calibration of model uncertainty remains challenging. The prospect of unifying methods like CorrDiff with coarser resolution global weather models implies a potential for global-to-regional multi-scale machine learning simulation.

Jerry Lin, Sungduk Yu, Liran Peng et al.

Machine-learning (ML) parameterizations of subgrid processes (here of turbulence, convection, and radiation) may one day replace conventional parameterizations by emulating high-resolution physics without the cost of explicit simulation. However, uncertainty about the relationship between offline and online performance (i.e., when integrated with a large-scale general circulation model (GCM)) hinders their development. Much of this uncertainty stems from limited sampling of the noisy, emergent effects of upstream ML design decisions on downstream online hybrid simulation. Our work rectifies the sampling issue via the construction of a semi-automated, end-to-end pipeline for $\mathcal{O}(100)$ size ensembles of hybrid simulations, revealing important nuances in how systematic reductions in offline error manifest in changes to online error and online stability. For example, removing dropout and switching from a Mean Squared Error (MSE) to a Mean Absolute Error (MAE) loss both reduce offline error, but they have opposite effects on online error and online stability. Other design decisions, like incorporating memory, converting moisture input from specific humidity to relative humidity, using batch normalization, and training on multiple climates do not come with any such compromises. Finally, we show that ensemble sizes of $\mathcal{O}(100)$ may be necessary to reliably detect causally relevant differences online. By enabling rapid online experimentation at scale, we can empirically settle debates regarding subgrid ML parameterization design that would have otherwise remained unresolved in the noise.

Sungduk Yu, Mike Pritchard, Po-Lun Ma et al.

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-times speedup. 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).

Jean Kossaifi, Nikola Kovachki, Morteza Mardani et al.

The recent revolution in data-driven methods for weather forecasting has lead to a fragmented landscape of complex, bespoke architectures and training strategies, obscuring the fundamental drivers of forecast accuracy. Here, we demonstrate that state-of-the-art probabilistic skill requires neither intricate architectural constraints nor specialized training heuristics. We introduce a scalable framework for learning multi-scale atmospheric dynamics by combining a directly downsampled latent space with a history-conditioned local projector that resolves high-resolution physics. We find that our framework design is robust to the choice of probabilistic estimator, seamlessly supporting stochastic interpolants, diffusion models, and CRPS-based ensemble training. Validated against the Integrated Forecasting System and the deep learning probabilistic model GenCast, our framework achieves statistically significant improvements on most of the variables. These results suggest scaling a general-purpose model is sufficient for state-of-the-art medium-range prediction, eliminating the need for tailored training recipes and proving effective across the full spectrum of probabilistic frameworks.

Corey Adams, Peter Harrington, Akshay Subramaniam et al.

Scientific Machine Learning (SciML) faces unique challenges for extreme-resolution data, with mitigations that often fail to scale or degrade the accuracy of trained models. While some specialized methods have achieved remarkable results in training models or performing inference on massive spatial datasets with bespoke techniques, there is no generalized framework for parallelization over input data below batch size one per device. In this work we introduce ShardTensor: a novel paradigm of domain parallelism that enables flexible scaling of input data to arbitrary sizes. By decoupling the spatial dimensionality of input data from hardware constraints, ShardTensor enables scientific machine learning workloads to reach new levels of high fidelity training and inference. We demonstrate both strong and weak scaling of workloads during training and inference, showing improved latency with strong scaling and demonstrating the capacity to process higher data sizes with weak scaling. Additionally, we demonstrate multiple dimensions of parallelization, removing barriers to SciML on extreme-scale inputs.

Peter Manshausen, Noah Brenowitz, Julius Berner et al.

ML climate model emulators are useful for scenario planning and adaptation, allowing for cost-efficient experimentation. Recently, the diffusion model Climate in a Bottle (cBottle) has been proposed for generation of atmospheric states compatible with boundary conditions of solar position and sea surface temperatures. Crucially, cBottle can be guided to generate extreme events such as Tropical Cyclones (TCs) over locations of interest. Diffusion models such as cBottle work by approximating the probability density of the training data. Here, we show use cases of the probability density estimates of atmospheric states obtained from this climate emulator. Most importantly, these estimates allow us to calculate likelihoods of extreme events under guidance. When guiding the model towards states including TCs, comparing the probability density under the guided and unguided model enables us to quantify how much more likely the guidance has made the TC. We show how these odds ratios allow us to importance-sample from the TC distribution, reducing the standard error of the probability estimate compared to simple Monte Carlo sampling. Furthermore, we discuss results and limitations of the application of model probability densities to extreme event attribution-like experiments. We present these early but encouraging results hoping they will spur more research into probabilistic information that can be gained from diffusion models of the atmosphere.

Jason Stock, Jaideep Pathak, Yair Cohen et al.

This work presents an autoregressive generative diffusion model (DiffObs) to predict the global evolution of daily precipitation, trained on a satellite observational product, and assessed with domain-specific diagnostics. The model is trained to probabilistically forecast day-ahead precipitation. Nonetheless, it is stable for multi-month rollouts, which reveal a qualitatively realistic superposition of convectively coupled wave modes in the tropics. Cross-spectral analysis confirms successful generation of low frequency variations associated with the Madden--Julian oscillation, which regulates most subseasonal to seasonal predictability in the observed atmosphere, and convectively coupled moist Kelvin waves with approximately correct dispersion relationships. Despite secondary issues and biases, the results affirm the potential for a next generation of global diffusion models trained on increasingly sparse, and increasingly direct and differentiated observations of the world, for practical applications in subseasonal and climate prediction.

Jerry Lin, Zeyuan Hu, Tom Beucler et al.

Subgrid machine-learning (ML) parameterizations have the potential to introduce a new generation of climate models that incorporate the effects of higher-resolution physics without incurring the prohibitive computational cost associated with more explicit physics-based simulations. However, important issues, ranging from online instability to inconsistent online performance, have limited their operational use for long-term climate projections. To more rapidly drive progress in solving these issues, domain scientists and machine learning researchers opened up the offline aspect of this problem to the broader machine learning and data science community with the release of ClimSim, a NeurIPS Datasets and Benchmarks publication, and an associated Kaggle competition. This paper reports on the downstream results of the Kaggle competition by coupling emulators inspired by the winning teams' architectures to an interactive climate model (including full cloud microphysics, a regime historically prone to online instability) and systematically evaluating their online performance. Our results demonstrate that online stability in the low-resolution, real-geography setting is reproducible across multiple diverse architectures, which we consider a key milestone. All tested architectures exhibit strikingly similar offline and online biases, though their responses to architecture-agnostic design choices (e.g., expanding the list of input variables) can differ significantly. Multiple Kaggle-inspired architectures achieve state-of-the-art (SOTA) results on certain metrics such as zonal mean bias patterns and global RMSE, indicating that crowdsourcing the essence of the offline problem is one path to improving online performance in hybrid physics-AI climate simulation.

Peter Manshausen, Yair Cohen, Peter Harrington et al.

Data assimilation of observational data into full atmospheric states is essential for weather forecast model initialization. Recently, methods for deep generative data assimilation have been proposed which allow for using new input data without retraining the model. They could also dramatically accelerate the costly data assimilation process used in operational regional weather models. Here, in a central US testbed, we demonstrate the viability of score-based data assimilation in the context of realistically complex km-scale weather. We train an unconditional diffusion model to generate snapshots of a state-of-the-art km-scale analysis product, the High Resolution Rapid Refresh. Then, using score-based data assimilation to incorporate sparse weather station data, the model produces maps of precipitation and surface winds. The generated fields display physically plausible structures, such as gust fronts, and sensitivity tests confirm learnt physics through multivariate relationships. Preliminary skill analysis shows the approach already outperforms a naive baseline of the High-Resolution Rapid Refresh system itself. By incorporating observations from 40 weather stations, 10% lower RMSEs on left-out stations are attained. Despite some lingering imperfections such as insufficiently disperse ensemble DA estimates, we find the results overall an encouraging proof of concept, and the first at km-scale. It is a ripe time to explore extensions that combine increasingly ambitious regional state generators with an increasing set of in situ, ground-based, and satellite remote sensing data streams.

Harshini Mangipudi, Griffin Mooers, Mike Pritchard et al.

Understanding the details of small-scale convection and storm formation is crucial to accurately represent the larger-scale planetary dynamics. Presently, atmospheric scientists run high-resolution, storm-resolving simulations to capture these kilometer-scale weather details. However, because they contain abundant information, these simulations can be overwhelming to analyze using conventional approaches. This paper takes a data-driven approach and jointly embeds spatial arrays of vertical wind velocities, temperatures, and water vapor information as three "channels" of a VAE architecture. Our "multi-channel VAE" results in more interpretable and robust latent structures than earlier work analyzing vertical velocities in isolation. Analyzing and clustering the VAE's latent space identifies weather patterns and their geographical manifestations in a fully unsupervised fashion. Our approach shows that VAEs can play essential roles in analyzing high-dimensional simulation data and extracting critical weather and climate characteristics.

Jordan Ott, Mike Pritchard, Natalie Best et al.

Implementing artificial neural networks is commonly achieved via high-level programming languages like Python and easy-to-use deep learning libraries like Keras. These software libraries come pre-loaded with a variety of network architectures, provide autodifferentiation, and support GPUs for fast and efficient computation. As a result, a deep learning practitioner will favor training a neural network model in Python, where these tools are readily available. However, many large-scale scientific computation projects are written in Fortran, making it difficult to integrate with modern deep learning methods. To alleviate this problem, we introduce a software library, the Fortran-Keras Bridge (FKB). This two-way bridge connects environments where deep learning resources are plentiful, with those where they are scarce. The paper describes several unique features offered by FKB, such as customizable layers, loss functions, and network ensembles. The paper concludes with a case study that applies FKB to address open questions about the robustness of an experimental approach to global climate simulation, in which subgrid physics are outsourced to deep neural network emulators. In this context, FKB enables a hyperparameter search of one hundred plus candidate models of subgrid cloud and radiation physics, initially implemented in Keras, to be transferred and used in Fortran. Such a process allows the model's emergent behavior to be assessed, i.e. when fit imperfections are coupled to explicit planetary-scale fluid dynamics. The results reveal a previously unrecognized strong relationship between offline validation error and online performance, in which the choice of optimizer proves unexpectedly critical. This reveals many neural network architectures that produce considerable improvements in stability including some with reduced error, for an especially challenging training dataset.