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Graphs in machine learning: an introduction

arXiv.org Machine Learning

Graphs are commonly used to characterise interactions between objects of interest. Because they are based on a straightforward formalism, they are used in many scientific fields from computer science to historical sciences. In this paper, we give an introduction to some methods relying on graphs for learning. This includes both unsupervised and supervised methods. Unsupervised learning algorithms usually aim at visualising graphs in latent spaces and/or clustering the nodes. Both focus on extracting knowledge from graph topologies. While most existing techniques are only applicable to static graphs, where edges do not evolve through time, recent developments have shown that they could be extended to deal with evolving networks. In a supervised context, one generally aims at inferring labels or numerical values attached to nodes using both the graph and, when they are available, node characteristics. Balancing the two sources of information can be challenging, especially as they can disagree locally or globally. In both contexts, supervised and un-supervised, data can be relational (augmented with one or several global graphs) as described above, or graph valued. In this latter case, each object of interest is given as a full graph (possibly completed by other characteristics). In this context, natural tasks include graph clustering (as in producing clusters of graphs rather than clusters of nodes in a single graph), graph classification, etc. 1 Real networks One of the first practical studies on graphs can be dated back to the original work of Moreno [51] in the 30s. Since then, there has been a growing interest in graph analysis associated with strong developments in the modelling and the processing of these data. Graphs are now used in many scientific fields. In Biology [54, 2, 7], for instance, metabolic networks can describe pathways of biochemical reactions [41], while in social sciences networks are used to represent relation ties between actors [66, 56, 36, 34]. Other examples include powergrids [71] and the web [75]. Recently, networks have also been considered in other areas such as geography [22] and history [59, 39]. In machine learning, networks are seen as powerful tools to model problems in order to extract information from data and for prediction purposes. This is the object of this paper. For more complete surveys, we refer to [28, 62, 49, 45]. In this section, we introduce notations and highlight properties shared by most real networks. In Section 2, we then consider methods aiming at extracting information from a unique network. We will particularly focus on clustering methods where the goal is to find clusters of vertices. Finally, in Section 3, techniques that take a series of networks into account, where each network is


Soft-Deep Boltzmann Machines

arXiv.org Machine Learning

We present a layered Boltzmann machine (BM) that can better exploit the advantages of a distributed representation. It is widely believed that deep BMs (DBMs) have far greater representational power than its shallow counterpart, restricted Boltzmann machines (RBMs). However, this expectation on the supremacy of DBMs over RBMs has not ever been validated in a theoretical fashion. In this paper, we provide both theoretical and empirical evidences that the representational power of DBMs can be actually rather limited in taking advantages of distributed representations. We propose an approximate measure for the representational power of a BM regarding to the efficiency of a distributed representation. With this measure, we show a surprising fact that DBMs can make inefficient use of distributed representations. Based on these observations, we propose an alternative BM architecture, which we dub soft-deep BMs (sDBMs). We show that sDBMs can more efficiently exploit the distributed representations in terms of the measure. Experiments demonstrate that sDBMs outperform several state-of-the-art models, including DBMs, in generative tasks on binarized MNIST and Caltech-101 silhouettes.


Approximate Inference with the Variational Holder Bound

arXiv.org Machine Learning

We introduce the Variational Holder (VH) bound as an alternative to Variational Bayes (VB) for approximate Bayesian inference. Unlike VB which typically involves maximization of a non-convex lower bound with respect to the variational parameters, the VH bound involves minimization of a convex upper bound to the intractable integral with respect to the variational parameters. Minimization of the VH bound is a convex optimization problem; hence the VH method can be applied using off-the-shelf convex optimization algorithms and the approximation error of the VH bound can also be analyzed using tools from convex optimization literature. We present experiments on the task of integrating a truncated multivariate Gaussian distribution and compare our method to VB, EP and a state-of-the-art numerical integration method for this problem.


Tensor Analysis and Fusion of Multimodal Brain Images

arXiv.org Machine Learning

Current high-throughput data acquisition technologies probe dynamical systems with different imaging modalities, generating massive data sets at different spatial and temporal resolutions posing challenging problems in multimodal data fusion. A case in point is the attempt to parse out the brain structures and networks that underpin human cognitive processes by analysis of different neuroimaging modalities (functional MRI, EEG, NIRS etc.). We emphasize that the multimodal, multi-scale nature of neuroimaging data is well reflected by a multi-way (tensor) structure where the underlying processes can be summarized by a relatively small number of components or "atoms". We introduce Markov-Penrose diagrams - an integration of Bayesian DAG and tensor network notation in order to analyze these models. These diagrams not only clarify matrix and tensor EEG and fMRI time/frequency analysis and inverse problems, but also help understand multimodal fusion via Multiway Partial Least Squares and Coupled Matrix-Tensor Factorization. We show here, for the first time, that Granger causal analysis of brain networks is a tensor regression problem, thus allowing the atomic decomposition of brain networks. Analysis of EEG and fMRI recordings shows the potential of the methods and suggests their use in other scientific domains.


Multi-Armed Bandits for Intelligent Tutoring Systems

arXiv.org Artificial Intelligence

We present an approach to Intelligent Tutoring Systems which adaptively personalizes sequences of learning activities to maximize skills acquired by students, taking into account the limited time and motivational resources. At a given point in time, the system proposes to the students the activity which makes them progress faster. We introduce two algorithms that rely on the empirical estimation of the learning progress, RiARiT that uses information about the difficulty of each exercise and ZPDES that uses much less knowledge about the problem. The system is based on the combination of three approaches. First, it leverages recent models of intrinsically motivated learning by transposing them to active teaching, relying on empirical estimation of learning progress provided by specific activities to particular students. Second, it uses state-of-the-art Multi-Arm Bandit (MAB) techniques to efficiently manage the exploration/exploitation challenge of this optimization process. Third, it leverages expert knowledge to constrain and bootstrap initial exploration of the MAB, while requiring only coarse guidance information of the expert and allowing the system to deal with didactic gaps in its knowledge. The system is evaluated in a scenario where 7-8 year old schoolchildren learn how to decompose numbers while manipulating money. Systematic experiments are presented with simulated students, followed by results of a user study across a population of 400 school children.


Dependent Multinomial Models Made Easy: Stick Breaking with the P\'olya-Gamma Augmentation

arXiv.org Machine Learning

Many practical modeling problems involve discrete data that are best represented as draws from multinomial or categorical distributions. For example, nucleotides in a DNA sequence, children's names in a given state and year, and text documents are all commonly modeled with multinomial distributions. In all of these cases, we expect some form of dependency between the draws: the nucleotide at one position in the DNA strand may depend on the preceding nucleotides, children's names are highly correlated from year to year, and topics in text may be correlated and dynamic. These dependencies are not naturally captured by the typical Dirichlet-multinomial formulation. Here, we leverage a logistic stick-breaking representation and recent innovations in P\'olya-gamma augmentation to reformulate the multinomial distribution in terms of latent variables with jointly Gaussian likelihoods, enabling us to take advantage of a host of Bayesian inference techniques for Gaussian models with minimal overhead.


Training Restricted Boltzmann Machines via the Thouless-Anderson-Palmer Free Energy

arXiv.org Machine Learning

Restricted Boltzmann machines are undirected neural networks which have been shown to be effective in many applications, including serving as initializations for training deep multi-layer neural networks. One of the main reasons for their success is the existence of efficient and practical stochastic algorithms, such as contrastive divergence, for unsupervised training. We propose an alternative deterministic iterative procedure based on an improved mean field method from statistical physics known as the Thouless-Anderson-Palmer approach. We demonstrate that our algorithm provides performance equal to, and sometimes superior to, persistent contrastive divergence, while also providing a clear and easy to evaluate objective function. We believe that this strategy can be easily generalized to other models as well as to more accurate higher-order approximations, paving the way for systematic improvements in training Boltzmann machines with hidden units.


Automatic Variational Inference in Stan

arXiv.org Machine Learning

Variational inference is a scalable technique for approximate Bayesian inference. Deriving variational inference algorithms requires tedious model-specific calculations; this makes it difficult to automate. We propose an automatic variational inference algorithm, automatic differentiation variational inference (ADVI). The user only provides a Bayesian model and a dataset; nothing else. We make no conjugacy assumptions and support a broad class of models. The algorithm automatically determines an appropriate variational family and optimizes the variational objective. We implement ADVI in Stan (code available now), a probabilistic programming framework. We compare ADVI to MCMC sampling across hierarchical generalized linear models, nonconjugate matrix factorization, and a mixture model. We train the mixture model on a quarter million images. With ADVI we can use variational inference on any model we write in Stan.


MCMC Learning

arXiv.org Machine Learning

The theory of learning under the uniform distribution is rich and deep, with connections to cryptography, computational complexity, and the analysis of boolean functions to name a few areas. This theory however is very limited due to the fact that the uniform distribution and the corresponding Fourier basis are rarely encountered as a statistical model. A family of distributions that vastly generalizes the uniform distribution on the Boolean cube is that of distributions represented by Markov Random Fields (MRF). Markov Random Fields are one of the main tools for modeling high dimensional data in many areas of statistics and machine learning. In this paper we initiate the investigation of extending central ideas, methods and algorithms from the theory of learning under the uniform distribution to the setup of learning concepts given examples from MRF distributions. In particular, our results establish a novel connection between properties of MCMC sampling of MRFs and learning under the MRF distribution.


A Linear-Time Particle Gibbs Sampler for Infinite Hidden Markov Models

arXiv.org Machine Learning

Infinite Hidden Markov Models (iHMM's) are an attractive, nonparametric generalization of the classical Hidden Markov Model which can automatically infer the number of hidden states in the system. However, due to the infinite-dimensional nature of transition dynamics performing inference in the iHMM is difficult. In this paper, we present an infinite-state Particle Gibbs (PG) algorithm to resample state trajectories for the iHMM. The proposed algorithm uses an efficient proposal optimized for iHMMs and leverages ancestor sampling to suppress degeneracy of the standard PG algorithm. Our algorithm demonstrates significant convergence improvements on synthetic and real world data sets. Additionally, the infinite-state PG algorithm has linear-time complexity in the number of states in the sampler, while competing methods scale quadratically.