The volume of data generated by internet and social networks is increasing every day, and there is a clear need for efficient ways of extracting useful information from them. As those data can take different forms, it is important to use all the available data representations for prediction. In this paper, we focus our attention on supervised classification using both regular plain, tabular, data and structural information coming from a network structure. 14 techniques are investigated and compared in this study and can be divided in three classes: the first one uses only the plain data to build a classification model, the second uses only the graph structure and the last uses both information sources. The relative performances in these three cases are investigated. Furthermore, the effect of using a graph embedding and well-known indicators in spatial statistics is also studied. Possible applications are automatic classification of web pages or other linked documents, of people in a social network or of proteins in a biological complex system, to name a few. Based on our comparison, we draw some general conclusions and advices to tackle this particular classification task: some datasets can be better explained by their graph structure (graph-driven), or by their feature set (features-driven). The most efficient methods are discussed in both cases.

Identifying the flavour of neutral $B$ mesons production is one of the most important components needed in the study of time-dependent $CP$ violation. The harsh environment of the Large Hadron Collider makes it particularly hard to succeed in this task. We present an inclusive flavour-tagging algorithm as an upgrade of the algorithms currently used by the LHCb experiment. Specifically, a probabilistic model which efficiently combines information from reconstructed vertices and tracks using machine learning is proposed. The algorithm does not use information about underlying physics process. It reduces the dependence on the performance of lower level identification capacities and thus increases the overall performance. The proposed inclusive flavour-tagging algorithm is applicable to tag the flavour of $B$ mesons in any proton-proton experiment.

Invariance to nuisance transformations is one of the desirable properties of effective representations. We consider transformations that form a \emph{group} and propose an approach based on kernel methods to derive local group invariant representations. Locality is achieved by defining a suitable probability distribution over the group which in turn induces distributions in the input feature space. We learn a decision function over these distributions by appealing to the powerful framework of kernel methods and generate local invariant random feature maps via kernel approximations. We show uniform convergence bounds for kernel approximation and provide excess risk bounds for learning with these features. We evaluate our method on three real datasets, including Rotated MNIST and CIFAR-10, and observe that it outperforms competing kernel based approaches. The proposed method also outperforms deep CNN on Rotated-MNIST and performs comparably to the recently proposed group-equivariant CNN.

Computational Fluid Dynamics (CFD) is a hugely important subject with applications in almost every engineering field, however, fluid simulations are extremely computationally and memory demanding. Towards this end, we present Lat-Net, a method for compressing both the computation time and memory usage of Lattice Boltzmann flow simulations using deep neural networks. Lat-Net employs convolutional autoencoders and residual connections in a fully differentiable scheme to compress the state size of a simulation and learn the dynamics on this compressed form. The result is a computationally and memory efficient neural network that can be iterated and queried to reproduce a fluid simulation. We show that once Lat-Net is trained, it can generalize to large grid sizes and complex geometries while maintaining accuracy. We also show that Lat-Net is a general method for compressing other Lattice Boltzmann based simulations such as Electromagnetism.

We propose non-stationary spectral kernels for Gaussian process regression. We propose to model the spectral density of a non-stationary kernel function as a mixture of input-dependent Gaussian process frequency density surfaces. We solve the generalised Fourier transform with such a model, and present a family of non-stationary and non-monotonic kernels that can learn input-dependent and potentially long-range, non-monotonic covariances between inputs. We derive efficient inference using model whitening and marginalized posterior, and show with case studies that these kernels are necessary when modelling even rather simple time series, image or geospatial data with non-stationary characteristics.

We would like to learn a representation of the data which decomposes an observation into factors of variation which we can independently control. Specifically, we want to use minimal supervision to learn a latent representation that reflects the semantics behind a specific grouping of the data, where within a group the samples share a common factor of variation. For example, consider a collection of face images grouped by identity. We wish to anchor the semantics of the grouping into a relevant and disentangled representation that we can easily exploit. However, existing deep probabilistic models often assume that the observations are independent and identically distributed. We present the Multi-Level Variational Autoencoder (ML-VAE), a new deep probabilistic model for learning a disentangled representation of a set of grouped observations. The ML-VAE separates the latent representation into semantically meaningful parts by working both at the group level and the observation level, while retaining efficient test-time inference. Quantitative and qualitative evaluations show that the ML-VAE model (i) learns a semantically meaningful disentanglement of grouped data, (ii) enables manipulation of the latent representation, and (iii) generalises to unseen groups.

Generative Adversarial Networks (GAN) (Goodfellow et al., 2014) are an effective method for training generative models of complex data such as natural images. However, they are notoriously hard to train and can suffer from the problem of missing modes where the model is not able to produce examples in certain regions of the space. We propose an iterative procedure, called AdaGAN, where at every step we add a new component into a mixture model by running a GAN algorithm on a reweighted sample. This is inspired by boosting algorithms, where many potentially weak individual predictors are greedily aggregated to form a strong composite predictor. We prove that such an incremental procedure leads to convergence to the true distribution in a finite number of steps if each step is optimal, and convergence at an exponential rate otherwise. We also illustrate experimentally that this procedure addresses the problem of missing modes.

The increasing complexity of the power grid, due to higher penetration of distributed resources and the growing availability of interconnected, distributed metering devices re- quires novel tools for providing a unified and consistent view of the system. A computational framework for power systems data fusion, based on probabilistic graphical models, capable of combining heterogeneous data sources with classical state estimation nodes and other customised computational nodes, is proposed. The framework allows flexible extension of the notion of grid state beyond the view of flows and injection in bus-branch models, and an efficient, naturally distributed inference algorithm can be derived. An application of the data fusion model to the quantification of distributed solar energy is proposed through numerical examples based on semi-synthetic simulations of the standard IEEE 14-bus test case.

Typical reinforcement learning (RL) agents learn to complete tasks specified by reward functions tailored to their domain. As such, the policies they learn do not generalize even to similar domains. To address this issue, we develop a framework through which a deep RL agent learns to generalize policies from smaller, simpler domains to more complex ones using a recurrent attention mechanism. The task is presented to the agent as an image and an instruction specifying the goal. This meta-controller guides the agent towards its goal by designing a sequence of smaller subtasks on the part of the state space within the attention, effectively decomposing it. As a baseline, we consider a setup without attention as well. Our experiments show that the meta-controller learns to create subgoals within the attention.

This paper presents two unsupervised learning layers (UL layers) for label-free video analysis: one for fully connected layers, and the other for convolutional ones. The proposed UL layers can play two roles: they can be the cost function layer for providing global training signal; meanwhile they can be added to any regular neural network layers for providing local training signals and combined with the training signals backpropagated from upper layers for extracting both slow and fast changing features at layers of different depths. Therefore, the UL layers can be used in either pure unsupervised or semi-supervised settings. Both a closed-form solution and an online learning algorithm for two UL layers are provided. Experiments with unlabeled synthetic and real-world videos demonstrated that the neural networks equipped with UL layers and trained with the proposed online learning algorithm can extract shape and motion information from video sequences of moving objects. The experiments demonstrated the potential applications of UL layers and online learning algorithm to head orientation estimation and moving object localization.