Gaussian processes (GPs) are Bayesian state-of-the-art tools for discriminative machine learning, i.e., regression [1], classification [2] and dimensionality reduction [3]. GPs were first proposed in statistics by Tony O'Hagan [4] and they are well-known to the geostatistics community as kriging. However, due to their high computational complexity they did not become widely applied tools in machine learning until the early XXI century [5]. GPs can be interpreted as a family of kernel methods with the additional advantage of providing a full conditional statistical description for the predicted variable, which can be primarily used to establish confidence intervals and to set hyper-parameters. In a nutshell, Gaussian processes assume that a Gaussian process prior governs the set of possible latent functions (which are unobserved), and the likelihood (of the latent function) and observations shape this prior to produce posterior probabilistic estimates.

We consider constraint-based methods for causal structure learning, such as the PC-, FCI-, RFCI- and CCD- algorithms (Spirtes et al. (2000, 1993), Richardson (1996), Colombo et al. (2012), Claassen et al. (2013)). The first step of all these algorithms consists of the PC-algorithm. This algorithm is known to be order-dependent, in the sense that the output can depend on the order in which the variables are given. This order-dependence is a minor issue in low-dimensional settings. We show, however, that it can be very pronounced in high-dimensional settings, where it can lead to highly variable results. We propose several modifications of the PC-algorithm (and hence also of the other algorithms) that remove part or all of this order-dependence. All proposed modifications are consistent in high-dimensional settings under the same conditions as their original counterparts. We compare the PC-, FCI-, and RFCI-algorithms and their modifications in simulation studies and on a yeast gene expression data set. We show that our modifications yield similar performance in low-dimensional settings and improved performance in high-dimensional settings. All software is implemented in the R-package pcalg.

Functional magnetic resonance imaging (fMRI) produces data about activity inside the brain, from which spatial maps can be extracted by independent component analysis (ICA). In datasets, there are n spatial maps that contain p voxels. The number of voxels is very high compared to the number of analyzed spatial maps. Clustering of the spatial maps is usually based on correlation matrices. This usually works well, although such a similarity matrix inherently can explain only a certain amount of the total variance contained in the high-dimensional data where n is relatively small but p is large. For high-dimensional space, it is reasonable to perform dimensionality reduction before clustering. In this research, we used the recently developed diffusion map for dimensionality reduction in conjunction with spectral clustering. This research revealed that the diffusion map based clustering worked as well as the more traditional methods, and produced more compact clusters when needed.

Matching pursuit (MP) methods are a promising class of feature construction algorithms for value function approximation. Yet existing MP methods require creating a pool of potential features, mandating expert knowledge or enumeration of a large feature pool, both of which hinder scalability. This paper introduces batch incremental feature dependency discovery (Batch-iFDD) as an MP method that inherits a provable convergence property. Additionally, Batch-iFDD does not require a large pool of features, leading to lower computational complexity. Empirical policy evaluation results across three domains with up to one million states highlight the scalability of Batch-iFDD over the previous state of the art MP algorithm.

We present a comprehensive study of the use of generative modeling approaches for Multiple-Instance Learning (MIL) problems. In MIL a learner receives training instances grouped together into bags with labels for the bags only (which might not be correct for the comprised instances). Our work was motivated by the task of facilitating the diagnosis of neuromuscular disorders using sets of motor unit potential trains (MUPTs) detected within a muscle which can be cast as a MIL problem. Our approach leads to a state-of-the-art solution to the problem of muscle classification. By introducing and analyzing generative models for MIL in a general framework and examining a variety of model structures and components, our work also serves as a methodological guide to modelling MIL tasks. We evaluate our proposed methods both on MUPT datasets and on the MUSK1 dataset, one of the most widely used benchmarks for MIL.

This paper addresses the problem of rank aggregation, which aims to find a consensus ranking among multiple ranking inputs. Traditional rank aggregation methods are deterministic, and can be categorized into explicit and implicit methods depending on whether rank information is explicitly or implicitly utilized. Surprisingly, experimental results on real data sets show that explicit rank aggregation methods would not work as well as implicit methods, although rank information is critical for the task. Our analysis indicates that the major reason might be the unreliable rank information from incomplete ranking inputs. To solve this problem, we propose to incorporate uncertainty into rank aggregation and tackle the problem in both unsupervised and supervised scenario. We call this novel framework {stochastic rank aggregation} (St.Agg for short). Specifically, we introduce a prior distribution on ranks, and transform the ranking functions or objectives in traditional explicit methods to their expectations over this distribution. Our experiments on benchmark data sets show that the proposed St.Agg outperforms the baselines in both unsupervised and supervised scenarios.

We present a novel approach for constrained Bayesian inference. Unlike current methods, our approach does not require convexity of the constraint set. We reduce the constrained variational inference to a parametric optimization over the feasible set of densities and propose a general recipe for such problems. We apply the proposed constrained Bayesian inference approach to multitask learning subject to rank constraints on the weight matrix. Further, constrained parameter estimation is applied to recover the sparse conditional independence structure encoded by prior precision matrices. Our approach is motivated by reverse inference for high dimensional functional neuroimaging, a domain where the high dimensionality and small number of examples requires the use of constraints to ensure meaningful and effective models. For this application, we propose a model that jointly learns a weight matrix and the prior inverse covariance structure between different tasks. We present experimental validation showing that the proposed approach outperforms strong baseline models in terms of predictive performance and structure recovery.

A number of discrete and continuous optimization problems in machine learning are related to convex minimization problems under submodular constraints. In this paper, we deal with a submodular function with a directed graph structure, and we show that a wide range of convex optimization problems under submodular constraints can be solved much more efficiently than general submodular optimization methods by a reduction to a maximum flow problem. Furthermore, we give some applications, including sparse optimization methods, in which the proposed methods are effective. Additionally, we evaluate the performance of the proposed method through computational experiments.

We consider the problem of maximum a posteriori (MAP) inference in discrete graphical models. We present a parallel MAP inference algorithm called Bethe-ADMM based on two ideas: tree-decomposition of the graph and the alternating direction method of multipliers (ADMM). However, unlike the standard ADMM, we use an inexact ADMM augmented with a Bethe-divergence based proximal function, which makes each subproblem in ADMM easy to solve in parallel using the sum-product algorithm. We rigorously prove global convergence of Bethe-ADMM. The proposed algorithm is extensively evaluated on both synthetic and real datasets to illustrate its effectiveness. Further, the parallel Bethe-ADMM is shown to scale almost linearly with increasing number of cores.

We consider the problem of providing nonparametric confidence guarantees for undirected graphs under weak assumptions. In particular, we do not assume sparsity, incoherence or Normality. We allow the dimension $D$ to increase with the sample size $n$. First, we prove lower bounds that show that if we want accurate inferences with low assumptions then there are limitations on the dimension as a function of sample size. When the dimension increases slowly with sample size, we show that methods based on Normal approximations and on the bootstrap lead to valid inferences and we provide Berry-Esseen bounds on the accuracy of the Normal approximation. When the dimension is large relative to sample size, accurate inferences for graphs under low assumptions are not possible. Instead we propose to estimate something less demanding than the entire partial correlation graph. In particular, we consider: cluster graphs, restricted partial correlation graphs and correlation graphs.