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Modern climate projections lack adequate spatial and temporal resolution due to computational constraints. A consequence is inaccurate and imprecise predictions of critical processes such as storms. Hybrid methods that combine physics with machine learning (ML) have introduced a new generation of higher fidelity climate simulators that can sidestep Moore's Law by outsourcing compute-hungry, short, high-resolution simulations to ML emulators. However, this hybrid ML-physics simulation approach requires domain-specific treatment and has been inaccessible to ML experts because of lack of training data and relevant, easy-to-use workflows. We present ClimSim, the largest-ever dataset designed for hybrid ML-physics research. It comprises multi-scale climate simulations, developed by a consortium of climate scientists and ML researchers. It consists of 5.7 billion pairs of multivariate input and output vectors that isolate the influence of locally-nested, high-resolution, high-fidelity physics on a host climate simulator's macro-scale physical state.The dataset is global in coverage, spans multiple years at high sampling frequency, and is designed such that resulting emulators are compatible with downstream coupling into operational climate simulators. We implement a range of deterministic and stochastic regression baselines to highlight the ML challenges and their scoring. The data (https://huggingface.co/datasets/LEAP/ClimSim_high-res) and code (https://leap-stc.github.io/ClimSim) are released openly to support the development of hybrid ML-physics and high-fidelity climate simulations for the benefit of science and society. 

Conventional variational autoencoders fail in modeling correlations between data points due to their use of factorized priors. Amortized Gaussian process inference through GPVAEs has led to significant improvements in this regard, but is still inhibited by the intrinsic complexity of exact GP inference. We improve the scalability of these methods through principled sparse inference approaches. We propose a new scalable GPVAE model that outperforms existing approaches in terms of runtime and memory footprint, is easy to implement, and allows for joint end-to-end optimization of all components. 

Data transformations (e.g. rotations, reflections,and cropping) play an important role in self supervised learning. Typically, images are transformed into different views, and neural networks trained on tasks involving these views produce useful feature representations for downstream tasks, including anomaly detection. However, for anomaly detection beyond image data, it is often unclear which transformations to use. Here we present a simple end-to-end procedure for anomaly detection with learnable transformations. The key idea is to embed the transformed data into a semantic space such that the transformed data still resemble their untransformed form, while different transformations are easily distinguishable. Extensive experiments on time series show that our proposed method outperforms existing approaches in the one-vs.-rest setting and is competitive in the more challenging n-vs.-rest anomaly detection task. On medical and cyber-security tabular data, our method learns domain-specific transformations and detects anomalies more accurately than previous work. 

Training a classifier over a large number of classes, known as ’extreme classification’, has become a topic of major interest with applications in technology, science, and e-commerce. Traditional softmax regression induces a gradient cost proportional to the number of classes C, which often is prohibitively expensive. A popular scalable softmax approximation relies on uniform negative sampling, which suffers from slow convergence due a poor signal-to-noise ratio. In this paper, we propose a simple training method for drastically enhancing the gradient signal by drawing negative samples from an adversarial model that mimics the data distribution. Our contributions are three-fold: (i) an adversarial sampling mechanism that produces negative samples at a cost only logarithmic in C, thus still resulting in cheap gradient updates; (ii) a mathematical proof that this adversarial sampling minimizes the gradient variance while any bias due to non-uniform sampling can be removed; (iii) experimental results on large scale data sets that show a reduction of the training time by an order of magnitude relative to several competitive baselines. 

We propose a novel algorithm for quantizing continuous latent representations in trained models. Our approach applies to deep probabilistic models, such as variational autoencoders (VAEs), and enables both data and model compression. Unlike current end-to-end neural compression methods that cater the model to a fixed quantization scheme, our algorithm separates model design and training from quantization. Consequently, our algorithm enables “plug-and-play” compression at variable rate-distortion trade-off, using a single trained model. Our algorithm can be seen as a novel extension of arithmetic coding to the continuous domain, and uses adaptive quantization accuracy based on estimates of posterior uncertainty. Our experimental results demonstrate the importance of taking into account posterior uncertainties, and show that image compression with the proposed algorithm outperforms JPEG over a wide range of bit rates using only a single standard VAE. Further experiments on Bayesian neural word embeddings demonstrate the versatility of the proposed method.