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Register a new userEquivariant Learning of Stochastic Fields: Gaussian Processes and Steerable Conditional Neural Processes
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Motivated by objects such as electric fields or fluid streams, we study the problem of learning stochastic fields, i.e. stochastic processes whose samples are fields like those occurring in physics and engineering. Considering general transformations such as rotations and reflections, we show that spatial invariance of stochastic fields requires an inference model to be equivariant. Leveraging recent advances from the equivariance literature, we study equivariance in two classes of models. Firstly, we fully characterise equivariant Gaussian processes. Secondly, we introduce Steerable Conditional Neural Processes (SteerCNPs), a new, fully equivariant member of the Neural Process family. In experiments with Gaussian process vector fields, images, and real-world weather data, we observe that SteerCNPs significantly improve the performance of previous models and equivariance leads to improvements in transfer learning tasks.
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We present the group equivariant conditional neural process (EquivCNP), a meta-learning method with permutation invariance in a data set as in conventional conditional neural processes (CNPs), and it also has transformation equivariance in data space. Incorporating group equivariance, such as rotation and scaling equivariance, provides a way to consider the symmetry of real-world data. We give a decomposition theorem for permutation-invariant and group-equivariant maps, which leads us to construct EquivCNPs with an infinite-dimensional latent space to handle group symmetries. In this paper, we build architecture using Lie group convolutional layers for practical implementation. We show that EquivCNP with translation equivariance achieves comparable performance to conventional CNPs in a 1D regression task. Moreover, we demonstrate that incorporating an appropriate Lie group equivariance, EquivCNP is capable of zero-shot generalization for an image-completion task by selecting an appropriate Lie group equivariance.
Conditional Neural Processes (CNP; Garnelo et al., 2018) are an attractive family of meta-learning models which produce well-calibrated predictions, enable fast inference at test time, and are trainable via a simple maximum likelihood procedure. A limitation of CNPs is their inability to model dependencies in the outputs. This significantly hurts predictive performance and renders it impossible to draw coherent function samples, which limits the applicability of CNPs in down-stream applications and decision making. Neural Processes (NPs; Garnelo et al., 2018) attempt to alleviate this issue by using latent variables, relying on these to model output dependencies, but introduces difficulties stemming from approximate inference. One recent alternative (Bruinsma et al.,2021), which we refer to as the FullConvGNP, models dependencies in the predictions while still being trainable via exact maximum-likelihood. Unfortunately, the FullConvGNP relies on expensive 2D-dimensional convolutions, which limit its applicability to only one-dimensional data. In this work, we present an alternative way to model output dependencies which also lends itself maximum likelihood training but, unlike the FullConvGNP, can be scaled to two- and three-dimensional data. The proposed models exhibit good performance in synthetic experiments.
The generalization properties of Gaussian processes depend heavily on the choice of kernel, and this choice remains a dark art. We present the Neural Kernel Network (NKN), a flexible family of kernels represented by a neural network. The NKN architecture is based on the composition rules for kernels, so that each unit of the network corresponds to a valid kernel. It can compactly approximate compositional kernel structures such as those used by the Automatic Statistician (Lloyd et al., 2014), but because the architecture is differentiable, it is end-to-end trainable with gradient-based optimization. We show that the NKN is universal for the class of stationary kernels. Empirically we demonstrate pattern discovery and extrapolation abilities of NKN on several tasks that depend crucially on identifying the underlying structure, including time series and texture extrapolation, as well as Bayesian optimization.
A neural network (NN) is a parameterised function that can be tuned via gradient descent to approximate a labelled collection of data with high precision. A Gaussian process (GP), on the other hand, is a probabilistic model that defines a distribution over possible functions, and is updated in light of data via the rules of probabilistic inference. GPs are probabilistic, data-efficient and flexible, however they are also computationally intensive and thus limited in their applicability. We introduce a class of neural latent variable models which we call Neural Processes (NPs), combining the best of both worlds. Like GPs, NPs define distributions over functions, are capable of rapid adaptation to new observations, and can estimate the uncertainty in their predictions. Like NNs, NPs are computationally efficient during training and evaluation but also learn to adapt their priors to data. We demonstrate the performance of NPs on a range of learning tasks, including regression and optimisation, and compare and contrast with related models in the literature.
Choosing a proper set of kernel functions is an important problem in learning Gaussian Process (GP) models since each kernel structure has different model complexity and data fitness. Recently, automatic kernel composition methods provide not only accurate prediction but also attractive interpretability through search-based methods. However, existing methods suffer from slow kernel composition learning. To tackle large-scaled data, we propose a new sparse approximate posterior for GPs, MultiSVGP, constructed from groups of inducing points associated with individual additive kernels in compositional kernels. We demonstrate that this approximation provides a better fit to learn compositional kernels given empirical observations. We also provide theoretically justification on error bound when compared to the traditional sparse GP. In contrast to the search-based approach, we present a novel probabilistic algorithm to learn a kernel composition by handling the sparsity in the kernel selection with Horseshoe prior. We demonstrate that our model can capture characteristics of time series with significant reductions in computational time and have competitive regression performance on real-world data sets.
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