Making deep learning practical for Earth system forecasting

Novel “cuboid attention” helps transformers handle large-scale multidimensional data, while diffusion models enable probabilistic prediction.

The Earth is a complex system. Variabilities ranging from regular events like temperature fluctuations to extreme events like drought, hailstorms, and the El Niño–Southern Oscillation (ENSO) phenomenon can influence crop yields, delay airline flights, and cause floods and forest fires. Precise and timely forecasting of these variabilities can help people take necessary precautions to avoid crises or better utilize natural resources such as wind and solar energy.

The success of transformer-based models in other AI domains has led researchers to attempt applying them to Earth system forecasting, too. But these efforts have encountered several major challenges. Foremost among these is the high dimensionality of Earth system data: naively applying the transformer’s quadratic-complexity attention mechanism is too computationally expensive.

Most existing machine-learning-based Earth systems models also output single, point forecasts, which are often averages across wide ranges of possible outcomes. Sometimes, however, it may be more important to know that there’s a 10% chance of an extreme weather event than to know the general averages across a range of possible outcomes. And finally, typical machine learning models don’t have guardrails imposed by physical laws or historical precedents and can produce outputs that are unlikely or even impossible.

In recent work, our team at Amazon Web Services has tackled all these challenges. Our paper “Earthformer: Exploring space-time transformers for Earth system forecasting”, published at NeurIPS 2022, suggests a novel attention mechanism we call cuboid attention, which enables transformers to process large-scale, multidimensional data much more efficiently.

And in “PreDiff: Precipitation nowcasting with latent diffusion models”, to appear at NeurIPS 2023, we show that diffusion models can both enable probabilistic forecasts and impose constraints on model outputs, making them much more consistent with both the historical record and the laws of physics.

Earthformer and cuboid attention

The heart of the transformer model is its “attention mechanism”, which enables it to weigh the importance of different parts of an input sequence when processing each element of the output sequence. This mechanism allows transformers to capture spatiotemporally long-range dependencies and relationships in the data, which have not been well modeled by conventional convolutional-neural-network- or recurrent-neural-network-based architectures.

Earth system data, however, is inherently high-dimensional and spatiotemporally complex. In the SEVIR dataset studied in our NeurIPS 2022 paper, for instance, each data sequence consists of 25 frames of data captured at five-minute intervals, each frame having a spatial resolution of 384 x 384 pixels. Using the conventional transformer attention mechanism to process such high-dimensional data would be extremely expensive.

In our NeurIPS 2022 paper, we proposed a novel attention mechanism we call cuboid attention, which decomposes input tensors into cuboids, or higher-dimensional analogues of cubes, and applies attention at the level of each cuboid. Since the computational cost of attention scales quadratically with the tensor size, applying attention locally in each cuboid is much more computationally tractable than trying to compute attention weights across the entire tensor at once. For instance, decomposing along the temporal axis can result in cost reduction by a factor of 3842 for the SEVIR dataset, since each frame has a spatial resolution of 384 x 384 pixels

Of course, such decomposition introduces a limitation: attention functions independently within each cuboid, with no communication between cuboids. To address this issue, we also compute global vectors that summarize the cuboids’ attention weights. Other cuboids can factor the global vectors into their own attention weight computations.

cuboid_illustration.gif
Cuboid attention layer processing an input tensor (X) with global vectors (G).

We call our transformer-based model with cuboid attention Earthformer. Earthformer adopts a hierarchical encoder-decoder architecture, which gradually encodes the input sequence to multiple levels of representations and generates the prediction via a coarse-to-fine procedure. Each hierarchy includes a stack of cuboid attention blocks. By stacking multiple cuboid attention layers with different configurations, we are able to efficiently explore effective space-time attention.

earthforer_enc_dec.png
The Earthformer architecture is a hierarchical transformer encoder-decoder with cuboid attention. In this diagram, “×D” means to stack D cuboid attention blocks with residual connections, while “×M” means to have M layers of hierarchies.

We experimented with multiple methods for decomposing an input tensor into cuboids. Our empirical studies show that the “axial” pattern, which stacks three unshifted local decompositions along the temporal, height, and width axes, is both effective and efficient. It achieves the best performance while avoiding the exponential computational cost of vanilla attention.

cub_pattern_together.png
Illustration of cuboid decomposition strategies when the input shape is (T, H, W) = (6, 4, 4), and cuboid size is (3, 2, 2). Elements that have the same color belong to the same cuboid and will attend to each other. Local decompositions aggregate contiguous elements of the tensor, and dilated decompositions aggregate elements according to a step function determined by the cuboid size. Both local and dilated decompositions, however, can be shifted by some number of elements along any of the tensor’s axes.

Experimental results

To evaluate Earthformer, we compared it to six state-of-the-art spatiotemporal forecasting models on two real-world datasets: SEVIR, for the task of continuously predicting precipitation probability in the near future (“nowcasting”), and ICAR-ENSO, for forecasting sea surface temperature (SST) anomalies.

On SEVIR, the evaluation metrics we used were standard mean squared error (MSE) and critical success index (CSI), a standard metric in precipitation nowcasting evaluation. CSI is also known as intersection over union (IoU): at different thresholds, it's denoted as CSI-thresh; their mean is denoted as CSI-M.

On both MSE and CSI, Earthformer outperformed all six baseline models across the board. Earthformer with global vectors also uniformly outperformed the version without global vectors.

Model
#Params.(M)
GFLOPS
Metrics
CSI-M↑
CSI-219↑
CSI-181↑
MSE(10-3)↓
Persistence
-
-
0.2613
0.0526
0.0969
11.5338
UNet
16.6
33
0.3593
0.0577
0.1580
4.1119
ConvLSTM
14.0
527
0.4185
0.1288
0.2482
3.7532
PredRNN
46.6
328
0.4080
0.1312
0.2324
3.9014
PhyDNet
13.7
701
0.3940
0.1288
0.2309
4.8165
E3D-LSTM
35.6
523
0.4038
0.1239
0.2270
4.1702
Rainformer
184.0
170
0.3661
0.0831
0.1670
4.0272
Earthformer w/o global
13.1
257
0.4356
0.1572
0.2716
3.7002
Earthformer
15.1
257
0.4419
0.1791
0.2848
3.6957

On ICAR-ENSO, we report the correlation skill of the three-month-moving-averaged Nino3.4 index, which evaluates the accuracy of SST anomaly prediction across a certain area (170°-120°W, 5°S-5°N) of the Pacific. Earthformer consistently outperforms the baselines in all concerned evaluation metrics, and the version using global vectors further improves performance.

Model
#Params.(M)
GFLOPS
Metrics
C-Nino3.4-M↑
C-Nino3.4-WM↑
MSE(10-4)↓
Persistence
-
-
0.3221
0. 447
4.581
UNet
12.1
0.4
0.6926
2.102
2.868
ConvLSTM
14.0
11.1
0.6955
2.107
2.657
PredRNN
23.8
85.8
0.6492
1.910
3.044
PhyDNet
3.1
5.7
0.6646
1.965
2.708
E3D-LSTM
12.9
99.8
0.7040
2.125
3.095
Rainformer
19.2
1.3
0.7106
2.153
3.043
Earthformer w/o global
6.6
23.6
0.7239
2.214
2.550
Earthformer
7.6
23.9
0.7329
2.259
2.546

PreDiff

Diffusion models have recently emerged as a leading approach to many AI tasks. Diffusion models are generative models that establish a forward process of iteratively adding Gaussian noise to training samples; the model then learns to incrementally remove the added noise in a reverse diffusion process, gradually reducing the noise level and ultimately resulting in clear and high-quality generation.

During training, the model learns a sequence of transition probabilities between each of the denoising steps it incrementally learns to perform. It is therefore an intrinsically probabilistic model, which is well suited for probabilistic forecasting.

A recent variation on diffusion models is the latent diffusion model: before passing to the diffusion model, an input is first fed to an autoencoder, which has a bottleneck layer that produces a compressed embedding (data representation); the diffusion model is then applied in the compressed space.

In our forthcoming NeurIPS paper, “PreDiff: Precipitation nowcasting with latent diffusion models”, we present PreDiff, a latent diffusion model that uses Earthformer as its core neural-network architecture.

By modifying the transition probabilities of the trained model, we can impose constraints on the model output, making it more likely to conform to some prior knowledge. We achieve this by simply shifting the mean of the learned distribution, until it complies better with the constraint we wish to impose. 

prediff_overview_new_v1.png
An overview of PreDiff. The autoencoder (e) encodes the input as a latent vector (zcond). The latent diffusion model, which adopts the Earthformer architecture, then incrementally denoises (steps zt+1 to z0) the noisy version of the input (zT). In the knowledge control step, the transition distributions between denoising steps are modified to accord with prior knowledge.

Results

We evaluated PreDiff on the task of predicting precipitation intensity in the near future (“nowcasting”) on SEVIR. We use anticipated precipitation intensity as a knowledge control to simulate possible extreme weather events like rainstorms and droughts.

We found that knowledge control with anticipated future precipitation intensity effectively guides generation while maintaining fidelity and adherence to the true data distribution. For example, the third row of the following figure simulates how weather unfolds in an extreme case (with probability around 0.35%) where the future average intensity exceeds μτ + 4στ. Such simulation can be valuable for estimating potential damage in extreme-rainstorm cases.

nbody_vis_v6.png
A set of example forecasts from PreDiff with knowledge control (PreDiff-KC), i.e., PreDiff under the guidance of anticipated average intensity. From top to bottom: context sequence y, target sequence x, and forecasts from PreDiff-KC showcasing different levels of anticipated future intensity τ + nστ), where n takes the values −4, −2, 0, 2, and 4.

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** This position is open to all candidates in Palo Alto, CA, Seattle, WA, NYC and Arlington, VA ** Amazon Ads Response Prediction team is your choice, if you want to join a highly motivated, collaborative, and fun-loving team with a strong entrepreneurial spirit and bias for action. We are seeking an experienced and motivated Machine Learning Applied Scientist who loves to innovate at the intersection of customer experience, deep learning, and high-scale machine-learning systems. Amazon Advertising operates at the intersection of eCommerce and advertising, and is investing heavily in building a world-class advertising business. We are defining and delivering a collection of self-service performance advertising products that drive discovery and sales. Our products are strategically important to our Retail and Marketplace businesses driving long-term growth. We deliver billions of ad impressions and millions of clicks daily and are breaking fresh ground to create world-class products to improve both shopper and advertiser experience. With a broad mandate to experiment and innovate, we grow at an unprecedented rate with a seemingly endless range of new opportunities. We are looking for a talented Machine Learning Applied Scientist for our Amazon Ads Response Prediction team to grow the business. We are providing advanced real-time machine learning services to connect shoppers with right ads on all platforms and surfaces worldwide. Through the deep understanding of both shoppers and products, we help shoppers discover new products they love, be the most efficient way for advertisers to meet their customers, and helps Amazon continuously innovate on behalf of all customers. Key job responsibilities As a Machine Learning Applied Scientist, you will: * Conduct deep data analysis to derive insights to the business, and identify gaps and new opportunities * Develop scalable and effective machine-learning models and optimization strategies to solve business problems * Run regular A/B experiments, gather data, and perform statistical analysis * Work closely with software engineers to deliver end-to-end solutions into production * Improve the scalability, efficiency and automation of large-scale data analytics, model training, deployment and serving * Conduct research on new machine-learning modeling to optimize all aspects of Sponsored Products business About the team We are pioneers in applying advanced machine learning and generative AI algorithms in Sponsored Products business. We develop customized CTR and CVR prediction models to help shopper feel understood and shop efficiently on off search placements (including product detail pages, thank you pages, home pages, etc.). We develop generative models to understand shopper intent and preference and predict next action.
US, CA, Palo Alto
Amazon Advertising is one of Amazon's fastest growing and most profitable businesses. As a core product offering within our advertising portfolio, Sponsored Products (SP) helps merchants, retail vendors, and brand owners succeed via native advertising, which grows incremental sales of their products sold through Amazon. The SP team's primary goals are to help shoppers discover new products they love, be the most efficient way for advertisers to meet their business objectives, and build a sustainable business that continuously innovates on behalf of customers. Our products and solutions are strategically important to enable our Retail and Marketplace businesses to drive long-term growth. We deliver billions of ad impressions and millions of clicks and break fresh ground in product and technical innovations every day! The Response Prediction team builds machine-learning models and infrastructure to support the Sponsored Products Ads business. Through precise estimation of shoppers' response to ads (e.g. clicks or product purchases), this team helps deliver the most relevant ads experience to shoppers, improves advertisers' ROI, and optimizes Amazon's long-term monetization. The team builds and operates one of the largest ML workflows in WW Advertising, serving Search and Detail Pages. Additionally, it also owns the horizontal ML infrastructure to support various ML use cases - from offline ML pipelines to online model inferencing and model management services. Team video https://youtu.be/zD_6Lzw8raE Key job responsibilities As a Sr. Applied Scientist on this team, you will: - Drive end-to-end Machine Learning projects that have a high degree of ambiguity, scale, complexity. - Perform hands-on analysis and modeling of enormous data sets to develop insights that increase traffic monetization and merchandise sales, without compromising the shopper experience. - Build machine learning models, perform proof-of-concept, experiment, optimize, and deploy your models into production; work closely with service engineers to bring your ML models in production - Run A/B experiments, gather data, and perform statistical analysis. - Establish scalable, efficient, automated processes for large-scale data analysis, machine-learning model development, model validation and serving. - Research new and innovative machine learning approaches - Publish papers in internal and external conferences
US, WA, Seattle
The Private Brands Discovery team designs innovative machine learning solutions to drive customer awareness for Amazon’s own brands and help customers discover products they love. Private Brands Discovery is an interdisciplinary team of Scientists and Engineers, who incubate and build disruptive solutions using cutting-edge technology to solve some of the toughest science problems at Amazon. To this end, the team employs methods from Natural Language Processing, Deep learning, multi-armed bandits and reinforcement learning, Bayesian Optimization, causal and statistical inference, and econometrics to drive discovery across the customer journey. Our solutions are crucial for the success of Amazon’s own brands and serve as a beacon for discovery solutions across Amazon. This is a high visibility opportunity for someone who wants to have business impact, dive deep into large-scale problems, enable measurable actions on the consumer economy, and work closely with scientists and engineers. As a scientist, you bring business and industry context to science and technology decisions. You set the standard for scientific excellence and make decisions that affect the way we build and integrate algorithms. Your solutions are exemplary in terms of algorithm design, clarity, model structure, efficiency, and extensibility. You tackle intrinsically hard problems, acquiring expertise as needed. You decompose complex problems into straightforward solutions.. With a focus on bias for action, this individual will be able to work equally well with Science, Engineering, Economics and business teams. Key job responsibilities - Drive applied science projects in machine learning end-to-end: from ideation over prototyping to launch. For example, starting from deep scientific thinking about new ways to support customers’ journeys through discovery, you analyze how customers discover, review and purchase Private Brands to innovate marketing and merchandising strategies. - Propose viable ideas to advance models and algorithms, with supporting argument, experiment, and eventually preliminary results. - Invent ways to overcome technical limitations and enable new forms of analyses to drive key technical and business decisions. - Present results, reports, and data insights to both technical and business leadership. - Constructively critique peer research and mentor junior scientists and engineers. - Innovate and contribute to Amazon’s science community and external research communities.