As a novel similarity measure that is defined as the expectation of a kernel function between two random variables, correntropy has been successfully applied in robust machine learning and signal processing to combat large outliers. The kernel function in correntropy is usually a zero-mean Gaussian kernel. In a recent work, the concept of mixture correntropy (MC) was proposed to improve the learning performance, where the kernel function is a mixture Gaussian kernel, namely a linear combination of several zero-mean Gaussian kernels with different widths. In both correntropy and mixture correntropy, the center of the kernel function is, however, always located at zero. In the present work, to further improve the learning performance, we propose the concept of multi-kernel correntropy (MKC), in which each component of the mixture Gaussian kernel can be centered at a different location. The properties of the MKC are investigated and an efficient approach is proposed to determine the free parameters in MKC. Experimental results show that the learning algorithms under the maximum multi-kernel correntropy criterion (MMKCC) can outperform those under the original maximum correntropy criterion (MCC) and the maximum mixture correntropy criterion (MMCC).

Dimensionality reduction and manifold learning methods such as t-Distributed Stochastic Neighbor Embedding (t-SNE) are routinely used to map high-dimensional data into a 2-dimensional space to visualize and explore the data. However, two dimensions are typically insufficient to capture all structure in the data, the salient structure is often already known, and it is not obvious how to extract the remaining information in a similarly effective manner. To fill this gap, we introduce \emph{conditional t-SNE} (ct-SNE), a generalization of t-SNE that discounts prior information from the embedding in the form of labels. To achieve this, we propose a conditioned version of the t-SNE objective, obtaining a single, integrated, and elegant method. ct-SNE has one extra parameter over t-SNE; we investigate its effects and show how to efficiently optimize the objective. Factoring out prior knowledge allows complementary structure to be captured in the embedding, providing new insights. Qualitative and quantitative empirical results on synthetic and (large) real data show ct-SNE is effective and achieves its goal.

We propose a link prediction algorithm that is based on spring-electrical models. The idea to study these models came from the fact that spring-electrical models have been successfully used for networks visualization. A good network visualization usually implies that nodes similar in terms of network topology, e.g., connected and/or belonging to one cluster, tend to be visualized close to each other. Therefore, we assumed that the Euclidean distance between nodes in the obtained network layout correlates with a probability of a link between them. We evaluate the proposed method against several popular baselines and demonstrate its flexibility by applying it to undirected, directed and bipartite networks.

Tensor decomposition, a collection of factorization techniques for multidimensional arrays, are among the most general and powerful tools for scientific analysis. However, because of their increasing size, today's data sets require more complex tensor decomposition involving factorization with multiple matrices and diagonal tensors such as DEDICOM or PARATUCK2. Traditional tensor resolution algorithms such as Stochastic Gradient Descent (SGD), Non-linear Conjugate Gradient descent (NCG) or Alternating Least Square (ALS), cannot be easily applied to complex tensor decomposition or often lead to poor accuracy at convergence. We propose a new resolution algorithm, called VecHGrad, for accurate and efficient stochastic resolution over all existing tensor decomposition, specifically designed for complex decomposition. VecHGrad relies on gradient, Hessian-vector product and adaptive line search to ensure the convergence during optimization. Our experiments on five real-world data sets with the state-of-the-art deep learning gradient optimization models show that VecHGrad is capable of converging considerably faster because of its superior theoretical convergence rate per step. Therefore, VecHGrad targets as well deep learning optimizer algorithms. The experiments are performed for various tensor decomposition including CP, DEDICOM and PARATUCK2. Although it involves a slightly more complex update rule, VecHGrad's runtime is similar in practice to that of gradient methods such as SGD, Adam or RMSProp.

Value function learning plays a central role in many state-of-the-art reinforcement-learning algorithms. Many popular algorithms like Q-learning do not optimize any objective function, but are fixed-point iterations of some variant of Bellman operator that is not necessarily a contraction. As a result, they may easily lose convergence guarantees, as can be observed in practice. In this paper, we propose a novel loss function, which can be optimized using standard gradient-based methods without risking divergence. The key advantage is that its gradient can be easily approximated using sampled transitions, avoiding the need for double samples required by prior algorithms like residual gradient. Our approach may be combined with general function classes such as neural networks, on either on- or off-policy data, and is shown to work reliably and effectively in several benchmarks.

Although the popular MNIST dataset [LeCun et al., 1994] is derived from the NIST database [Grother and Hanaoka, 1995], the precise processing steps for this derivation have been lost to time. We propose a reconstruction that is accurate enough to serve as a replacement for the MNIST dataset, with insignificant changes in accuracy. We trace each MNIST digit to its NIST source and its rich metadata such as writer identifier, partition identifier, etc. We also reconstruct the complete MNIST test set with 60,000 samples instead of the usual 10,000. Since the balance 50,000 were never distributed, they enable us to investigate the impact of twenty-five years of MNIST experiments on the reported testing performances. Our results unambiguously confirm the trends observed by Recht et al. [2018, 2019]: although the misclassification rates are slightly off, classifier ordering and model selection remain broadly reliable. We attribute this phenomenon to the pairing benefits of comparing classifiers on the same digits.

Betweenness centrality (BC) is one of the most used centrality measures for network analysis, which seeks to describe the importance of nodes in a network in terms of the fraction of shortest paths that pass through them. It is key to many valuable applications, including community detection and network dismantling. Computing BC scores on large networks is computationally challenging due to high time complexity. Many approximation algorithms have been proposed to speed up the estimation of BC, which are mainly sampling-based. However, these methods are still prone to considerable execution time on large-scale networks, and their results are often exacerbated when small changes happen to the network structures. In this paper, we focus on identifying nodes with high BC in a graph, since many application scenarios are built upon retrieving nodes with top-k BC. Different from previous heuristic methods, we turn this task into a learning problem and design an encoder-decoder based framework to resolve the problem. More specifcally, the encoder leverages the network structure to encode each node into an embedding vector, which captures the important structural information of the node. The decoder transforms the embedding vector for each node into a scalar, which captures the relative rank of this node in terms of BC. We use the pairwise ranking loss to train the model to identify the orders of nodes regarding their BC. By training on small-scale networks, the learned model is capable of assigning relative BC scores to nodes for any unseen networks, and thus identifying the highly-ranked nodes. Comprehensive experiments on both synthetic and real-world networks demonstrate that, compared to representative baselines, our model drastically speeds up the prediction without noticeable sacrifce in accuracy, and outperforms the state-of-the-art by accuracy on several large real-world networks.

Domain generalization is the problem of assigning labels to an unlabeled data set, given several similar data sets for which labels have been provided. Despite considerable interest in this problem over the last decade, there has been no theoretical analysis in the setting of multi-class classification. In this work, we study a kernel-based learning algorithm and establish a generalization error bound that scales logarithmically in the number of classes, matching state-of-the-art bounds for multi-class classification in the conventional learning setting. We also demonstrate empirically that the proposed algorithm achieves significant performance gains compared to a pooling strategy.

Adaptive Bayesian quadrature (ABQ) is a powerful approach to numerical integration that empirically compares favorably with Monte Carlo integration on problems of medium dimensionality (where non-adaptive quadrature is not competitive). Its key ingredient is an acquisition function that changes as a function of previously collected values of the integrand. While this adaptivity appears to be empirically powerful, it complicates analysis. Consequently, there are no theoretical guarantees so far for this class of methods. In this work, for a broad class of adaptive Bayesian quadrature methods, we prove consistency, deriving non-tight but informative convergence rates. To do so we introduce a new concept we call weak adaptivity. In guaranteeing consistency of ABQ, weak adaptivity is notionally similar to the ideas of detailed balance and ergodicity in Markov Chain Monte Carlo methods, which allow sufficient conditions for consistency of MCMC. Likewise, our results identify a large and flexible class of adaptive Bayesian quadrature rules as consistent, within which practitioners can develop empirically efficient methods.

We propose a novel statistical node embedding of directed graphs, which is based on a global minimization of pairwise relative entropy and graph geodesics in a non-linear way. Each node is encoded with a probability density function over a measurable real n-dimensional space. Furthermore, we analyze the connection to the geometrical properties of such embedding and characterize the curvature of the statistical manifolds. Extensive experiments show that our proposed embedding is better preserving the global geodesic information of graphs, as well as outperforming existing embedding models on directed graphs in a variety of evaluation metrics, in an unsupervised setting.