Lifted probabilistic inference algorithms have been successfully applied to a large number of symmetric graphical models. Unfortunately, the majority of real-world graphical models is asymmetric. This is even the case for relational representations when evidence is given. Therefore, more recent work in the community moved to making the models symmetric and then applying existing lifted inference algorithms. However, this approach has two shortcomings. First, all existing over-symmetric approximations require a relational representation such as Markov logic networks. Second, the induced symmetries often change the distribution significantly, making the computed probabilities highly biased. We present a framework for probabilistic sampling-based inference that only uses the induced approximate symmetries to propose steps in a Metropolis-Hastings style Markov chain. The framework, therefore, leads to improved probability estimates while remaining unbiased. Experiments demonstrate that the approach outperforms existing MCMC algorithms.

Knowledge Discovery in Databases is a complex process that involves many different data processing and learning operators. Today's Knowledge Discovery Support Systems can contain several hundred operators. A major challenge is to assist the user in designing workflows which are not only valid but also -- ideally -- optimize some performance measure associated with the user goal. In this paper we present such a system. The system relies on a meta-mining module which analyses past data mining experiments and extracts meta-mining models which associate dataset characteristics with workflow descriptors in view of workflow performance optimization. The meta-mining model is used within a data mining workflow planner, to guide the planner during the workflow planning. We learn the meta-mining models using a similarity learning approach, and extract the workflow descriptors by mining the workflows for generalized relational patterns accounting also for domain knowledge provided by a data mining ontology. We evaluate the quality of the data mining workflows that the system produces on a collection of real world datasets coming from biology and show that it produces workflows that are significantly better than alternative methods that can only do workflow selection and not planning.

We consider the least-squares regression problem and provide a detailed asymptotic analysis of the performance of averaged constant-step-size stochastic gradient descent (a.k.a. least-mean-squares). In the strongly-convex case, we provide an asymptotic expansion up to explicit exponentially decaying terms. Our analysis leads to new insights into stochastic approximation algorithms: (a) it gives a tighter bound on the allowed step-size; (b) the generalization error may be divided into a variance term which is decaying as O(1/n), independently of the step-size $\gamma$, and a bias term that decays as O(1/$\gamma$ 2 n 2); (c) when allowing non-uniform sampling, the choice of a good sampling density depends on whether the variance or bias terms dominate. In particular, when the variance term dominates, optimal sampling densities do not lead to much gain, while when the bias term dominates, we can choose larger step-sizes that leads to significant improvements.

When solving data analysis problems it is important to integrate prior knowledge and/or structural invariances. This paper contributes by a novel framework for incorporating algebraic invariance structure into kernels. In particular, we show that algebraic properties such as sign symmetries in data, phase independence, scaling etc. can be included easily by essentially performing the kernel trick twice. We demonstrate the usefulness of our theory in simulations on selected applications such as sign-invariant spectral clustering and underdetermined ICA.

We discuss two views on extending existing methods for complex network modeling which we dub the communities first and the networks first view, respectively. Inspired by the networks first view that we attribute to White, Boorman, and Breiger (1976)[1], we formulate the multiple-networks stochastic blockmodel (MNSBM), which seeks to separate the observed network into subnetworks of different types and where the problem of inferring structure in each subnetwork becomes easier. We show how this model is specified in a generative Bayesian framework where parameters can be inferred efficiently using Gibbs sampling. The result is an effective multiple-membership model without the drawbacks of introducing complex definitions of "groups" and how they interact. We demonstrate results on the recovery of planted structure in synthetic networks and show very encouraging results on link prediction performances using multiple-networks models on a number of real-world network data sets.

Contrary to standard statistical models, unnormalised statistical models only specify the likelihood function up to a constant. While such models are natural and popular, the lack of normalisation makes inference much more difficult. Here we show that inferring the parameters of a unnormalised model on a space $\Omega$ can be mapped onto an equivalent problem of estimating the intensity of a Poisson point process on $\Omega$. The unnormalised statistical model now specifies an intensity function that does not need to be normalised. Effectively, the normalisation constant may now be inferred as just another parameter, at no loss of information. The result can be extended to cover non-IID models, which includes for example unnormalised models for sequences of graphs (dynamical graphs), or for sequences of binary vectors. As a consequence, we prove that unnormalised parameteric inference in non-IID models can be turned into a semi-parametric estimation problem. Moreover, we show that the noise-contrastive divergence of Gutmann & Hyv\"arinen (2012) can be understood as an approximation of the Poisson transform, and extended to non-IID settings. We use our results to fit spatial Markov chain models of eye movements, where the Poisson transform allows us to turn a highly non-standard model into vanilla semi-parametric logistic regression.

In this paper, we propose an efficient semidefinite programming (SDP) approach to worst-case linear discriminant analysis (WLDA). Compared with the traditional LDA, WLDA considers the dimensionality reduction problem from the worst-case viewpoint, which is in general more robust for classification. However, the original problem of WLDA is non-convex and difficult to optimize. In this paper, we reformulate the optimization problem of WLDA into a sequence of semidefinite feasibility problems. To efficiently solve the semidefinite feasibility problems, we design a new scalable optimization method with quasi-Newton methods and eigen-decomposition being the core components. The proposed method is orders of magnitude faster than standard interior-point based SDP solvers. Experiments on a variety of classification problems demonstrate that our approach achieves better performance than standard LDA. Our method is also much faster and more scalable than standard interior-point SDP solvers based WLDA. The computational complexity for an SDP with $m$ constraints and matrices of size $d$ by $d$ is roughly reduced from $\mathcal{O}(m^3+md^3+m^2d^2)$ to $\mathcal{O}(d^3)$ ($m>d$ in our case).

We show two novel concentration inequalities for suprema of empirical processes when sampling without replacement, which both take the variance of the functions into account. While these inequalities may potentially have broad applications in learning theory in general, we exemplify their significance by studying the transductive setting of learning theory. For which we provide the first excess risk bounds based on the localized complexity of the hypothesis class, which can yield fast rates of convergence also in the transductive learning setting. We give a preliminary analysis of the localized complexities for the prominent case of kernel classes.

We investigate the geometrical structure of probabilistic generative dimensionality reduction models using the tools of Riemannian geometry. We explicitly define a distribution over the natural metric given by the models. We provide the necessary algorithms to compute expected metric tensors where the distribution over mappings is given by a Gaussian process. We treat the corresponding latent variable model as a Riemannian manifold and we use the expectation of the metric under the Gaussian process prior to define interpolating paths and measure distance between latent points. We show how distances that respect the expected metric lead to more appropriate generation of new data.

We consider the problem of learning a set from random samples. We show how relevant geometric and topological properties of a set can be studied analytically using concepts from the theory of reproducing kernel Hilbert spaces. A new kind of reproducing kernel, that we call separating kernel, plays a crucial role in our study and is analyzed in detail. We prove a new analytic characterization of the support of a distribution, that naturally leads to a family of provably consistent regularized learning algorithms and we discuss the stability of these methods with respect to random sampling. Numerical experiments show that the approach is competitive, and often better, than other state of the art techniques.