Matthias Bauer

Alexander Immer, Maciej Korzepa, Matthias Bauer

The generalized Gauss-Newton (GGN) approximation is often used to make practical Bayesian deep learning approaches scalable by replacing a second order derivative with a product of first order derivatives. In this paper we argue that the GGN approximation should be understood as a local linearization of the underlying Bayesian neural network (BNN), which turns the BNN into a generalized linear model (GLM). Because we use this linearized model for posterior inference, we should also predict using this modified model instead of the original one. We refer to this modified predictive as "GLM predictive" and show that it effectively resolves common underfitting problems of the Laplace approximation. It extends previous results in this vein to general likelihoods and has an equivalent Gaussian process formulation, which enables alternative inference schemes for BNNs in function space. We demonstrate the effectiveness of our approach on several standard classification datasets as well as on out-of-distribution detection. We provide an implementation at https://github.com/AlexImmer/BNN-predictions.

Erik Daxberger, Agustinus Kristiadi, Alexander Immer et al.

Bayesian formulations of deep learning have been shown to have compelling theoretical properties and offer practical functional benefits, such as improved predictive uncertainty quantification and model selection. The Laplace approximation (LA) is a classic, and arguably the simplest family of approximations for the intractable posteriors of deep neural networks. Yet, despite its simplicity, the LA is not as popular as alternatives like variational Bayes or deep ensembles. This may be due to assumptions that the LA is expensive due to the involved Hessian computation, that it is difficult to implement, or that it yields inferior results. In this work we show that these are misconceptions: we (i) review the range of variants of the LA including versions with minimal cost overhead; (ii) introduce "laplace", an easy-to-use software library for PyTorch offering user-friendly access to all major flavors of the LA; and (iii) demonstrate through extensive experiments that the LA is competitive with more popular alternatives in terms of performance, while excelling in terms of computational cost. We hope that this work will serve as a catalyst to a wider adoption of the LA in practical deep learning, including in domains where Bayesian approaches are not typically considered at the moment.

Matthias Bauer, Andriy Mnih

Efficient low-variance gradient estimation enabled by the reparameterization trick (RT) has been essential to the success of variational autoencoders. Doubly-reparameterized gradients (DReGs) improve on the RT for multi-sample variational bounds by applying reparameterization a second time for an additional reduction in variance. Here, we develop two generalizations of the DReGs estimator and show that they can be used to train conditional and hierarchical VAEs on image modelling tasks more effectively. First, we extend the estimator to hierarchical models with several stochastic layers by showing how to treat additional score function terms due to the hierarchical variational posterior. We then generalize DReGs to score functions of arbitrary distributions instead of just those of the sampling distribution, which makes the estimator applicable to the parameters of the prior in addition to those of the posterior.

Frederik Harder, Matthias Bauer, Mijung Park

Interpretable predictions, where it is clear why a machine learning model has made a particular decision, can compromise privacy by revealing the characteristics of individual data points. This raises the central question addressed in this paper: Can models be interpretable without compromising privacy? For complex big data fit by correspondingly rich models, balancing privacy and explainability is particularly challenging, such that this question has remained largely unexplored. In this paper, we propose a family of simple models in the aim of approximating complex models using several locally linear maps per class to provide high classification accuracy, as well as differentially private explanations on the classification. We illustrate the usefulness of our approach on several image benchmark datasets as well as a medical dataset.

Matthias Bauer, Andriy Mnih

We propose Learned Accept/Reject Sampling (LARS), a method for constructing richer priors using rejection sampling with a learned acceptance function. This work is motivated by recent analyses of the VAE objective, which pointed out that commonly used simple priors can lead to underfitting. As the distribution induced by LARS involves an intractable normalizing constant, we show how to estimate it and its gradients efficiently. We demonstrate that LARS priors improve VAE performance on several standard datasets both when they are learned jointly with the rest of the model and when they are fitted to a pretrained model. Finally, we show that LARS can be combined with existing methods for defining flexible priors for an additional boost in performance.

Mark van der Wilk, Matthias Bauer, ST John et al.

Generalising well in supervised learning tasks relies on correctly extrapolating the training data to a large region of the input space. One way to achieve this is to constrain the predictions to be invariant to transformations on the input that are known to be irrelevant (e.g. translation). Commonly, this is done through data augmentation, where the training set is enlarged by applying hand-crafted transformations to the inputs. We argue that invariances should instead be incorporated in the model structure, and learned using the marginal likelihood, which correctly rewards the reduced complexity of invariant models. We demonstrate this for Gaussian process models, due to the ease with which their marginal likelihood can be estimated. Our main contribution is a variational inference scheme for Gaussian processes containing invariances described by a sampling procedure. We learn the sampling procedure by back-propagating through it to maximise the marginal likelihood.

Jonathan Gordon, John Bronskill, Matthias Bauer et al.

This paper introduces a new framework for data efficient and versatile learning. Specifically: 1) We develop ML-PIP, a general framework for Meta-Learning approximate Probabilistic Inference for Prediction. ML-PIP extends existing probabilistic interpretations of meta-learning to cover a broad class of methods. 2) We introduce VERSA, an instance of the framework employing a flexible and versatile amortization network that takes few-shot learning datasets as inputs, with arbitrary numbers of shots, and outputs a distribution over task-specific parameters in a single forward pass. VERSA substitutes optimization at test time with forward passes through inference networks, amortizing the cost of inference and relieving the need for second derivatives during training. 3) We evaluate VERSA on benchmark datasets where the method sets new state-of-the-art results, handles arbitrary numbers of shots, and for classification, arbitrary numbers of classes at train and test time. The power of the approach is then demonstrated through a challenging few-shot ShapeNet view reconstruction task.

Matthias Bauer, Valentin Volchkov, Michael Hirsch et al.

The modulation transfer function (MTF) is widely used to characterise the performance of optical systems. Measuring it is costly and it is thus rarely available for a given lens specimen. Instead, MTFs based on simulations or, at best, MTFs measured on other specimens of the same lens are used. Fortunately, images recorded through an optical system contain ample information about its MTF, only that it is confounded with the statistics of the images. This work presents a method to estimate the MTF of camera lens systems directly from photographs, without the need for expensive equipment. We use a custom grid display to accurately measure the point response of lenses to acquire ground truth training data. We then use the same lenses to record natural images and employ a data-driven supervised learning approach using a convolutional neural network to estimate the MTF on small image patches, aggregating the information into MTF charts over the entire field of view. It generalises to unseen lenses and can be applied for single photographs, with the performance improving if multiple photographs are available.

Matthias Bauer, Mateo Rojas-Carulla, Jakub Bartłomiej Świątkowski et al.

This paper introduces a probabilistic framework for k-shot image classification. The goal is to generalise from an initial large-scale classification task to a separate task comprising new classes and small numbers of examples. The new approach not only leverages the feature-based representation learned by a neural network from the initial task (representational transfer), but also information about the classes (concept transfer). The concept information is encapsulated in a probabilistic model for the final layer weights of the neural network which acts as a prior for probabilistic k-shot learning. We show that even a simple probabilistic model achieves state-of-the-art on a standard k-shot learning dataset by a large margin. Moreover, it is able to accurately model uncertainty, leading to well calibrated classifiers, and is easily extensible and flexible, unlike many recent approaches to k-shot learning.

Matthias Bauer, Mark van der Wilk, Carl Edward Rasmussen

Good sparse approximations are essential for practical inference in Gaussian Processes as the computational cost of exact methods is prohibitive for large datasets. The Fully Independent Training Conditional (FITC) and the Variational Free Energy (VFE) approximations are two recent popular methods. Despite superficial similarities, these approximations have surprisingly different theoretical properties and behave differently in practice. We thoroughly investigate the two methods for regression both analytically and through illustrative examples, and draw conclusions to guide practical application.