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 Rätsch, Gunnar


Real-valued (Medical) Time Series Generation with Recurrent Conditional GANs

arXiv.org Machine Learning

Generative Adversarial Networks (GANs) have shown remarkable success as a framework for training models to produce realistic-looking data. In this work, we propose a Recurrent GAN (RGAN) and Recurrent Conditional GAN (RCGAN) to produce realistic real-valued multi-dimensional time series, with an emphasis on their application to medical data. RGANs make use of recurrent neural networks in the generator and the discriminator. In the case of RCGANs, both of these RNNs are conditioned on auxiliary information. We demonstrate our models in a set of toy datasets, where we show visually and quantitatively (using sample likelihood and maximum mean discrepancy) that they can successfully generate realistic time-series. We also describe novel evaluation methods for GANs, where we generate a synthetic labelled training dataset, and evaluate on a real test set the performance of a model trained on the synthetic data, and vice-versa. We illustrate with these metrics that RCGANs can generate time-series data useful for supervised training, with only minor degradation in performance on real test data. This is demonstrated on digit classification from 'serialised' MNIST and by training an early warning system on a medical dataset of 17,000 patients from an intensive care unit. We further discuss and analyse the privacy concerns that may arise when using RCGANs to generate realistic synthetic medical time series data.


Greedy Algorithms for Cone Constrained Optimization with Convergence Guarantees

arXiv.org Machine Learning

Greedy optimization methods such as Matching Pursuit (MP) and Frank-Wolfe (FW) algorithms regained popularity in recent years due to their simplicity, effectiveness and theoretical guarantees. MP and FW address optimization over the linear span and the convex hull of a set of atoms, respectively. In this paper, we consider the intermediate case of optimization over the convex cone, parametrized as the conic hull of a generic atom set, leading to the first principled definitions of non-negative MP algorithms for which we give explicit convergence rates and demonstrate excellent empirical performance. In particular, we derive sublinear ($\mathcal{O}(1/t)$) convergence on general smooth and convex objectives, and linear convergence ($\mathcal{O}(e^{-t})$) on strongly convex objectives, in both cases for general sets of atoms. Furthermore, we establish a clear correspondence of our algorithms to known algorithms from the MP and FW literature. Our novel algorithms and analyses target general atom sets and general objective functions, and hence are directly applicable to a large variety of learning settings.


Learning Unitary Operators with Help From u(n)

AAAI Conferences

A major challenge in the training of recurrent neural networks is the so-called vanishing or exploding gradient problem. The use of a norm-preserving transition operator can address this issue, but parametrization is challenging. In this work we focus on unitary operators and describe a parametrization using the Lie algebra u( n ) associated with the Lie group U ( n ) of n × n unitary matrices. The exponential map provides a correspondence between these spaces, and allows us to define a unitary matrix using n 2 real coefficients relative to a basis of the Lie algebra. The parametrization is closed under additive updates of these coefficients, and thus provides a simple space in which to do gradient descent. We demonstrate the effectiveness of this parametrization on the problem of learning arbitrary unitary operators, comparing to several baselines and outperforming a recently-proposed lower-dimensional parametrization. We additionally use our parametrization to generalize a recently-proposed unitary recurrent neural network to arbitrary unitary matrices, using it to solve standard long-memory tasks.


Learning Unitary Operators with Help From u(n)

arXiv.org Machine Learning

A major challenge in the training of recurrent neural networks is the so-called vanishing or exploding gradient problem. The use of a norm-preserving transition operator can address this issue, but parametrization is challenging. In this work we focus on unitary operators and describe a parametrization using the Lie algebra $\mathfrak{u}(n)$ associated with the Lie group $U(n)$ of $n \times n$ unitary matrices. The exponential map provides a correspondence between these spaces, and allows us to define a unitary matrix using $n^2$ real coefficients relative to a basis of the Lie algebra. The parametrization is closed under additive updates of these coefficients, and thus provides a simple space in which to do gradient descent. We demonstrate the effectiveness of this parametrization on the problem of learning arbitrary unitary operators, comparing to several baselines and outperforming a recently-proposed lower-dimensional parametrization. We additionally use our parametrization to generalize a recently-proposed unitary recurrent neural network to arbitrary unitary matrices, using it to solve standard long-memory tasks.


A Generative Model of Words and Relationships from Multiple Sources

AAAI Conferences

Neural language models are a powerful tool to embed words into semantic vector spaces. However, learning such models generally relies on the availability of abundant and diverse training examples. In highly specialised domains this requirement may not be met due to difficulties in obtaining a large corpus, or the limited range of expression in average use. Such domains may encode prior knowledge about entities in a knowledge base or ontology. We propose a generative model which integrates evidence from diverse data sources, enabling the sharing of semantic information. We achieve this by generalising the concept of co-occurrence from distributional semantics to include other relationships between entities or words, which we model as affine transformations on the embedding space. We demonstrate the effectiveness of this approach by outperforming recent models on a link prediction task and demonstrating its ability to profit from partially or fully unobserved data training labels. We further demonstrate the usefulness of learning from different data sources with overlapping vocabularies.


Bayesian representation learning with oracle constraints

arXiv.org Machine Learning

Representation learning systems typically rely on massive amounts of labeled data in order to be trained to high accuracy. Recently, high-dimensional parametric models like neural networks have succeeded in building rich representations using either compressive, reconstructive or supervised criteria. However, the semantic structure inherent in observations is oftentimes lost in the process. Human perception excels at understanding semantics but cannot always be expressed in terms of labels. Thus, \emph{oracles} or \emph{human-in-the-loop systems}, for example crowdsourcing, are often employed to generate similarity constraints using an implicit similarity function encoded in human perception. In this work we propose to combine \emph{generative unsupervised feature learning} with a \emph{probabilistic treatment of oracle information like triplets} in order to transfer implicit privileged oracle knowledge into explicit nonlinear Bayesian latent factor models of the observations. We use a fast variational algorithm to learn the joint model and demonstrate applicability to a well-known image dataset. We show how implicit triplet information can provide rich information to learn representations that outperform previous metric learning approaches as well as generative models without this side-information in a variety of predictive tasks. In addition, we illustrate that the proposed approach compartmentalizes the latent spaces semantically which allows interpretation of the latent variables.


A Generative Model of Words and Relationships from Multiple Sources

arXiv.org Machine Learning

Neural language models are a powerful tool to embed words into semantic vector spaces. However, learning such models generally relies on the availability of abundant and diverse training examples. In highly specialised domains this requirement may not be met due to difficulties in obtaining a large corpus, or the limited range of expression in average use. Such domains may encode prior knowledge about entities in a knowledge base or ontology. We propose a generative model which integrates evidence from diverse data sources, enabling the sharing of semantic information. We achieve this by generalising the concept of co-occurrence from distributional semantics to include other relationships between entities or words, which we model as affine transformations on the embedding space. We demonstrate the effectiveness of this approach by outperforming recent models on a link prediction task and demonstrating its ability to profit from partially or fully unobserved data training labels. We further demonstrate the usefulness of learning from different data sources with overlapping vocabularies.


Automatic Relevance Determination For Deep Generative Models

arXiv.org Machine Learning

A recurring problem when building probabilistic latent variable models is regularization and model selection, for instance, the choice of the dimensionality of the latent space. In the context of belief networks with latent variables, this problem has been adressed with Automatic Relevance Determination (ARD) employing Monte Carlo inference. We present a variational inference approach to ARD for Deep Generative Models using doubly stochastic variational inference to provide fast and scalable learning. We show empirical results on a standard dataset illustrating the effects of contracting the latent space automatically. We show that the resulting latent representations are significantly more compact without loss of expressive power of the learned models.


Framework for Multi-task Multiple Kernel Learning and Applications in Genome Analysis

arXiv.org Machine Learning

We present a general regularization-based framework for Multi-task learning (MTL), in which the similarity between tasks can be learned or refined using $\ell_p$-norm Multiple Kernel learning (MKL). Based on this very general formulation (including a general loss function), we derive the corresponding dual formulation using Fenchel duality applied to Hermitian matrices. We show that numerous established MTL methods can be derived as special cases from both, the primal and dual of our formulation. Furthermore, we derive a modern dual-coordinate descend optimization strategy for the hinge-loss variant of our formulation and provide convergence bounds for our algorithm. As a special case, we implement in C++ a fast LibLinear-style solver for $\ell_p$-norm MKL. In the experimental section, we analyze various aspects of our algorithm such as predictive performance and ability to reconstruct task relationships on biologically inspired synthetic data, where we have full control over the underlying ground truth. We also experiment on a new dataset from the domain of computational biology that we collected for the purpose of this paper. It concerns the prediction of transcription start sites (TSS) over nine organisms, which is a crucial task in gene finding. Our solvers including all discussed special cases are made available as open-source software as part of the SHOGUN machine learning toolbox (available at \url{http://shogun.ml}).


Probabilistic Clustering of Time-Evolving Distance Data

arXiv.org Machine Learning

We present a novel probabilistic clustering model for objects that are represented via pairwise distances and observed at different time points. The proposed method utilizes the information given by adjacent time points to find the underlying cluster structure and obtain a smooth cluster evolution. This approach allows the number of objects and clusters to differ at every time point, and no identification on the identities of the objects is needed. Further, the model does not require the number of clusters being specified in advance -- they are instead determined automatically using a Dirichlet process prior. We validate our model on synthetic data showing that the proposed method is more accurate than state-of-the-art clustering methods. Finally, we use our dynamic clustering model to analyze and illustrate the evolution of brain cancer patients over time.