arXiv subjects

Max Welling

Publications and source records attributed to Max Welling.

At least 145 records · Page 8Linked to original sources

arXiv2019

Combinatorial Bayesian Optimization using the Graph Cartesian Product

This paper focuses on Bayesian Optimization (BO) for objectives on combinatorial search spaces, including ordinal and categorical variables. Despite the abundance of potential applications of Combinatorial BO, including chipset configuration search and neural architecture search, only a handful of methods have been proposed. We introduce COMBO, a new Gaussian Process (GP) BO. COMBO quantifies "smoothness" of functions on combinatorial search spaces by utilizing a combinatorial graph. The vertex set of the combinatorial graph consists of all possible joint assignments of the variables, while edges are constructed using the graph Cartesian product of the sub-graphs that represent the individual variables. On this combinatorial graph, we propose an ARD diffusion kernel with which the GP is able to model high-order interactions between variables leading to better performance. Moreover, using the Horseshoe prior for the scale parameter in the ARD diffusion kernel results in an effective variable selection procedure, making COMBO suitable for high dimensional problems. Computationally, in COMBO the graph Cartesian product allows the Graph Fourier Transform calculation to scale linearly instead of exponentially. We validate COMBO in a wide array of realistic benchmarks, including weighted maximum satisfiability problems and neural architecture search. COMBO outperforms consistently the latest state-of-the-art while maintaining computational and statistical efficiency.

stat.ML↗

arXiv2019

i-RIM applied to the fastMRI challenge

We, team AImsterdam, summarize our submission to the fastMRI challenge (Zbontar et al., 2018). Our approach builds on recent advances in invertible learning to infer models as presented in Putzky and Welling (2019). Both, our single-coil and our multi-coil model share the same basic architecture.

eess.IV↗

arXiv2019

DP-MAC: The Differentially Private Method of Auxiliary Coordinates for Deep Learning

Developing a differentially private deep learning algorithm is challenging, due to the difficulty in analyzing the sensitivity of objective functions that are typically used to train deep neural networks. Many existing methods resort to the stochastic gradient descent algorithm and apply a pre-defined sensitivity to the gradients for privatizing weights. However, their slow convergence typically yields a high cumulative privacy loss. Here, we take a different route by employing the method of auxiliary coordinates, which allows us to independently update the weights per layer by optimizing a per-layer objective function. This objective function can be well approximated by a low-order Taylor's expansion, in which sensitivity analysis becomes tractable. We perturb the coefficients of the expansion for privacy, which we optimize using more advanced optimization routines than SGD for faster convergence. We empirically show that our algorithm provides a decent trained model quality under a modest privacy budget.

cs.LG↗

arXiv2019

DIVA: Domain Invariant Variational Autoencoders

We consider the problem of domain generalization, namely, how to learn representations given data from a set of domains that generalize to data from a previously unseen domain. We propose the Domain Invariant Variational Autoencoder (DIVA), a generative model that tackles this problem by learning three independent latent subspaces, one for the domain, one for the class, and one for any residual variations. We highlight that due to the generative nature of our model we can also incorporate unlabeled data from known or previously unseen domains. To the best of our knowledge this has not been done before in a domain generalization setting. This property is highly desirable in fields like medical imaging where labeled data is scarce. We experimentally evaluate our model on the rotated MNIST benchmark and a malaria cell images dataset where we show that (i) the learned subspaces are indeed complementary to each other, (ii) we improve upon recent works on this task and (iii) incorporating unlabelled data can boost the performance even further.

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arXiv2019

Sinkhorn AutoEncoders

Optimal transport offers an alternative to maximum likelihood for learning generative autoencoding models. We show that minimizing the p-Wasserstein distance between the generator and the true data distribution is equivalent to the unconstrained min-min optimization of the p-Wasserstein distance between the encoder aggregated posterior and the prior in latent space, plus a reconstruction error. We also identify the role of its trade-off hyperparameter as the capacity of the generator: its Lipschitz constant. Moreover, we prove that optimizing the encoder over any class of universal approximators, such as deterministic neural networks, is enough to come arbitrarily close to the optimum. We therefore advertise this framework, which holds for any metric space and prior, as a sweet-spot of current generative autoencoding objectives. We then introduce the Sinkhorn auto-encoder (SAE), which approximates and minimizes the p-Wasserstein distance in latent space via backprogation through the Sinkhorn algorithm. SAE directly works on samples, i.e. it models the aggregated posterior as an implicit distribution, with no need for a reparameterization trick for gradients estimations. SAE is thus able to work with different metric spaces and priors with minimal adaptations. We demonstrate the flexibility of SAE on latent spaces with different geometries and priors and compare with other methods on benchmark data sets.

cs.LG↗

arXiv2019

Differentiable probabilistic models of scientific imaging with the Fourier slice theorem

Scientific imaging techniques such as optical and electron microscopy and computed tomography (CT) scanning are used to study the 3D structure of an object through 2D observations. These observations are related to the original 3D object through orthogonal integral projections. For common 3D reconstruction algorithms, computational efficiency requires the modeling of the 3D structures to take place in Fourier space by applying the Fourier slice theorem. At present, it is unclear how to differentiate through the projection operator, and hence current learning algorithms can not rely on gradient based methods to optimize 3D structure models. In this paper we show how back-propagation through the projection operator in Fourier space can be achieved. We demonstrate the validity of the approach with experiments on 3D reconstruction of proteins. We further extend our approach to learning probabilistic models of 3D objects. This allows us to predict regions of low sampling rates or estimate noise. A higher sample efficiency can be reached by utilizing the learned uncertainties of the 3D structure as an unsupervised estimate of the model fit. Finally, we demonstrate how the reconstruction algorithm can be extended with an amortized inference scheme on unknown attributes such as object pose. Through empirical studies we show that joint inference of the 3D structure and the object pose becomes more difficult when the ground truth object contains more symmetries. Due to the presence of for instance (approximate) rotational symmetries, the pose estimation can easily get stuck in local optima, inhibiting a fine-grained high-quality estimate of the 3D structure.

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arXiv2019

Covariance in Physics and Convolutional Neural Networks

In this proceeding we give an overview of the idea of covariance (or equivariance) featured in the recent development of convolutional neural networks (CNNs). We study the similarities and differences between the use of covariance in theoretical physics and in the CNN context. Additionally, we demonstrate that the simple assumption of covariance, together with the required properties of locality, linearity and weight sharing, is sufficient to uniquely determine the form of the convolution.

cs.LG↗

arXiv2019

Stochastic Beams and Where to Find Them: The Gumbel-Top-k Trick for Sampling Sequences Without Replacement

The well-known Gumbel-Max trick for sampling from a categorical distribution can be extended to sample $k$ elements without replacement. We show how to implicitly apply this 'Gumbel-Top-$k$' trick on a factorized distribution over sequences, allowing to draw exact samples without replacement using a Stochastic Beam Search. Even for exponentially large domains, the number of model evaluations grows only linear in $k$ and the maximum sampled sequence length. The algorithm creates a theoretical connection between sampling and (deterministic) beam search and can be used as a principled intermediate alternative. In a translation task, the proposed method compares favourably against alternatives to obtain diverse yet good quality translations. We show that sequences sampled without replacement can be used to construct low-variance estimators for expected sentence-level BLEU score and model entropy.

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arXiv2019

Deep Scale-spaces: Equivariance Over Scale

We introduce deep scale-spaces (DSS), a generalization of convolutional neural networks, exploiting the scale symmetry structure of conventional image recognition tasks. Put plainly, the class of an image is invariant to the scale at which it is viewed. We construct scale equivariant cross-correlations based on a principled extension of convolutions, grounded in the theory of scale-spaces and semigroups. As a very basic operation, these cross-correlations can be used in almost any modern deep learning architecture in a plug-and-play manner. We demonstrate our networks on the Patch Camelyon and Cityscapes datasets, to prove their utility and perform introspective studies to further understand their properties.

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arXiv2019

Emerging Convolutions for Generative Normalizing Flows

Generative flows are attractive because they admit exact likelihood optimization and efficient image synthesis. Recently, Kingma & Dhariwal (2018) demonstrated with Glow that generative flows are capable of generating high quality images. We generalize the 1 x 1 convolutions proposed in Glow to invertible d x d convolutions, which are more flexible since they operate on both channel and spatial axes. We propose two methods to produce invertible convolutions that have receptive fields identical to standard convolutions: Emerging convolutions are obtained by chaining specific autoregressive convolutions, and periodic convolutions are decoupled in the frequency domain. Our experiments show that the flexibility of d x d convolutions significantly improves the performance of generative flow models on galaxy images, CIFAR10 and ImageNet.

cs.LG↗

arXiv2019

Gauge Equivariant Convolutional Networks and the Icosahedral CNN

The principle of equivariance to symmetry transformations enables a theoretically grounded approach to neural network architecture design. Equivariant networks have shown excellent performance and data efficiency on vision and medical imaging problems that exhibit symmetries. Here we show how this principle can be extended beyond global symmetries to local gauge transformations. This enables the development of a very general class of convolutional neural networks on manifolds that depend only on the intrinsic geometry, and which includes many popular methods from equivariant and geometric deep learning. We implement gauge equivariant CNNs for signals defined on the surface of the icosahedron, which provides a reasonable approximation of the sphere. By choosing to work with this very regular manifold, we are able to implement the gauge equivariant convolution using a single conv2d call, making it a highly scalable and practical alternative to Spherical CNNs. Using this method, we demonstrate substantial improvements over previous methods on the task of segmenting omnidirectional images and global climate patterns.

cs.LG↗

arXiv2019

Sylvester Normalizing Flows for Variational Inference

Variational inference relies on flexible approximate posterior distributions. Normalizing flows provide a general recipe to construct flexible variational posteriors. We introduce Sylvester normalizing flows, which can be seen as a generalization of planar flows. Sylvester normalizing flows remove the well-known single-unit bottleneck from planar flows, making a single transformation much more flexible. We compare the performance of Sylvester normalizing flows against planar flows and inverse autoregressive flows and demonstrate that they compare favorably on several datasets.

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arXiv2019

The Deep Weight Prior

Bayesian inference is known to provide a general framework for incorporating prior knowledge or specific properties into machine learning models via carefully choosing a prior distribution. In this work, we propose a new type of prior distributions for convolutional neural networks, deep weight prior (DWP), that exploit generative models to encourage a specific structure of trained convolutional filters e.g., spatial correlations of weights. We define DWP in the form of an implicit distribution and propose a method for variational inference with such type of implicit priors. In experiments, we show that DWP improves the performance of Bayesian neural networks when training data are limited, and initialization of weights with samples from DWP accelerates training of conventional convolutional neural networks.

stat.ML↗

arXiv2019

Attention, Learn to Solve Routing Problems!

The recently presented idea to learn heuristics for combinatorial optimization problems is promising as it can save costly development. However, to push this idea towards practical implementation, we need better models and better ways of training. We contribute in both directions: we propose a model based on attention layers with benefits over the Pointer Network and we show how to train this model using REINFORCE with a simple baseline based on a deterministic greedy rollout, which we find is more efficient than using a value function. We significantly improve over recent learned heuristics for the Travelling Salesman Problem (TSP), getting close to optimal results for problems up to 100 nodes. With the same hyperparameters, we learn strong heuristics for two variants of the Vehicle Routing Problem (VRP), the Orienteering Problem (OP) and (a stochastic variant of) the Prize Collecting TSP (PCTSP), outperforming a wide range of baselines and getting results close to highly optimized and specialized algorithms.

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arXiv2019

Data-Driven Reconstruction of Gravitationally Lensed Galaxies using Recurrent Inference Machines

We present a machine learning method for the reconstruction of the undistorted images of background sources in strongly lensed systems. This method treats the source as a pixelated image and utilizes the Recurrent Inference Machine (RIM) to iteratively reconstruct the background source given a lens model. Our architecture learns to minimize the likelihood of the model parameters (source pixels) given the data using the physical forward model (ray tracing simulations) while implicitly learning the prior of the source structure from the training data. This results in better performance compared to linear inversion methods, where the prior information is limited to the 2-point covariance of the source pixels approximated with a Gaussian form, and often specified in a relatively arbitrary manner. We combine our source reconstruction network with a convolutional neural network that predicts the parameters of the mass distribution in the lensing galaxies directly from telescope images, allowing a fully automated reconstruction of the background source images and the foreground mass distribution.

astro-ph.IM↗

arXiv2018

Graphical Generative Adversarial Networks

We propose Graphical Generative Adversarial Networks (Graphical-GAN) to model structured data. Graphical-GAN conjoins the power of Bayesian networks on compactly representing the dependency structures among random variables and that of generative adversarial networks on learning expressive dependency functions. We introduce a structured recognition model to infer the posterior distribution of latent variables given observations. We generalize the Expectation Propagation (EP) algorithm to learn the generative model and recognition model jointly. Finally, we present two important instances of Graphical-GAN, i.e. Gaussian Mixture GAN (GMGAN) and State Space GAN (SSGAN), which can successfully learn the discrete and temporal structures on visual datasets, respectively.

cs.LG↗

arXiv2018

Private Topic Modeling

We develop a privatised stochastic variational inference method for Latent Dirichlet Allocation (LDA). The iterative nature of stochastic variational inference presents challenges: multiple iterations are required to obtain accurate posterior distributions, yet each iteration increases the amount of noise that must be added to achieve a reasonable degree of privacy. We propose a practical algorithm that overcomes this challenge by combining: (1) an improved composition method for differential privacy, called the moments accountant, which provides a tight bound on the privacy cost of multiple variational inference iterations and thus significantly decreases the amount of additive noise; and (2) privacy amplification resulting from subsampling of large-scale data. Focusing on conjugate exponential family models, in our private variational inference, all the posterior distributions will be privatised by simply perturbing expected sufficient statistics. Using Wikipedia data, we illustrate the effectiveness of our algorithm for large-scale data.

stat.ML↗

arXiv2018

Variational Bayes In Private Settings (VIPS)

Many applications of Bayesian data analysis involve sensitive information, motivating methods which ensure that privacy is protected. We introduce a general privacy-preserving framework for Variational Bayes (VB), a widely used optimization-based Bayesian inference method. Our framework respects differential privacy, the gold-standard privacy criterion, and encompasses a large class of probabilistic models, called the Conjugate Exponential (CE) family. We observe that we can straightforwardly privatise VB's approximate posterior distributions for models in the CE family, by perturbing the expected sufficient statistics of the complete-data likelihood. For a broadly-used class of non-CE models, those with binomial likelihoods, we show how to bring such models into the CE family, such that inferences in the modified model resemble the private variational Bayes algorithm as closely as possible, using the Polya-Gamma data augmentation scheme. The iterative nature of variational Bayes presents a further challenge since iterations increase the amount of noise needed. We overcome this by combining: (1) an improved composition method for differential privacy, called the moments accountant, which provides a tight bound on the privacy cost of multiple VB iterations and thus significantly decreases the amount of additive noise; and (2) the privacy amplification effect of subsampling mini-batches from large-scale data in stochastic learning. We empirically demonstrate the effectiveness of our method in CE and non-CE models including latent Dirichlet allocation, Bayesian logistic regression, and sigmoid belief networks, evaluated on real-world datasets.

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