Evaluation of the marginal likelihood plays an important role in model selection problems. The widely applicable Bayesian information criterion (WBIC) and singular Bayesian information criterion (sBIC) give approximations to the log marginal likelihood, which can be applied to both regular and singular models. When the real log canonical thresholds are known, the performance of sBIC is considered to be better than that of WBIC, but only few real log canonical thresholds are known. In this paper, we propose a new estimator of the real log canonical thresholds based on the variance of thermodynamic integration with an inverse temperature. In addition, we propose an application to make sBIC widely applicable. Finally, we investigate the performance of the estimator and model selection by simulation studies and application to real data.

Graph kernels are an instance of the class of $\mathcal{R}$-Convolution kernels, which measure the similarity of objects by comparing their substructures. Despite their empirical success, most graph kernels use a naive aggregation of the final set of substructures, usually a sum or average, thereby potentially discarding valuable information about the distribution of individual components. Furthermore, only a limited instance of these approaches can be extended to continuously attributed graphs. We propose a novel method that relies on the Wasserstein distance between the node feature vector distributions of two graphs, which allows to find subtler differences in data sets by considering graphs as high-dimensional objects, rather than simple means. We further propose a Weisfeiler-Lehman inspired embedding scheme for graphs with continuous node attributes and weighted edges, enhance it with the computed Wasserstein distance, and thus improve the state-of-the-art prediction performance on several graph classification tasks.

Boosting variational inference (BVI) approximates an intractable probability density by iteratively building up a mixture of simple component distributions one at a time, using techniques from sparse convex optimization to provide both computational scalability and approximation error guarantees. But the guarantees have strong conditions that do not often hold in practice, resulting in degenerate component optimization problems; and we show that the ad-hoc regularization used to prevent degeneracy in practice can cause BVI to fail in unintuitive ways. We thus develop universal boosting variational inference (UBVI), a BVI scheme that exploits the simple geometry of probability densities under the Hellinger metric to prevent the degeneracy of other gradient-based BVI methods, avoid difficult joint optimizations of both component and weight, and simplify fully-corrective weight optimizations. We show that for any target density and any mixture component family, the output of UBVI converges to the best possible approximation in the mixture family, even when the mixture family is misspecified. We develop a scalable implementation based on exponential family mixture components and standard stochastic optimization techniques. Finally, we discuss statistical benefits of the Hellinger distance as a variational objective through bounds on posterior probability, moment, and importance sampling errors. Experiments on multiple datasets and models show that UBVI provides reliable, accurate posterior approximations.

A well-known problem in data science and machine learning is {\em linear regression}, which is recently extended to dynamic graphs. Existing exact algorithms for updating the solution of dynamic graph regression problem require at least a linear time (in terms of $n$: the size of the graph). However, this time complexity might be intractable in practice. In the current paper, we utilize {\em subsampled randomized Hadamard transform} and \textsf{CountSketch} to propose the first randomized algorithms. Suppose that we are given an $n\times m$ matrix embedding $M$ of the graph, where $m \ll n$. Let $r$ be the number of samples required for a guaranteed approximation error, which is a sublinear function of $n$. Our first algorithm reduces time complexity of pre-processing to $O(n(m + 1) + 2n(m + 1) \log_2(r + 1) + rm^2)$. Then after an edge insertion or an edge deletion, it updates the approximate solution in $O(rm)$ time. Our second algorithm reduces time complexity of pre-processing to $O \left( nnz(M) + m^3 \epsilon^{-2} \log^7(m/\epsilon) \right)$, where $nnz(M)$ is the number of nonzero elements of $M$. Then after an edge insertion or an edge deletion or a node insertion or a node deletion, it updates the approximate solution in $O(qm)$ time, with $q=O\left(\frac{m^2}{\epsilon^2} \log^6(m/\epsilon) \right)$. Finally, we show that under some assumptions, if $\ln n < \epsilon^{-1}$ our first algorithm outperforms our second algorithm and if $\ln n \geq \epsilon^{-1}$ our second algorithm outperforms our first algorithm.

Hyperdimensional computing (HDC) is an emerging computing framework that takes inspiration from attributes of neuronal circuits such as hyperdimensionality, fully distributed holographic representation, and (pseudo)randomness. When employed for machine learning tasks such as learning and classification, HDC involves manipulation and comparison of large patterns within memory. Moreover, a key attribute of HDC is its robustness to the imperfections associated with the computational substrates on which it is implemented. It is therefore particularly amenable to emerging non-von Neumann paradigms such as in-memory computing, where the physical attributes of nanoscale memristive devices are exploited to perform computation in place. Here, we present a complete in-memory HDC system that achieves a near-optimum trade-off between design complexity and classification accuracy based on three prototypical HDC related learning tasks, namely, language classification, news classification, and hand gesture recognition from electromyography signals. Comparable accuracies to software implementations are demonstrated, experimentally, using 760,000 phase-change memory devices performing analog in-memory computing.

We propose a new metaheuristic training scheme that combines Stochastic Gradient Descent (SGD) and Discrete Optimization in an unconventional way. Our idea is to define a discrete neighborhood of the current SGD point containing a number of "potentially good moves" that exploit gradient information, and to search this neighborhood by using a classical metaheuristic scheme borrowed from Discrete Optimization. In the present paper we investigate the use of a simple Simulated Annealing (SA) metaheuristic that accepts/rejects a candidate new solution in the neighborhood with a probability that depends both on the new solution quality and on a parameter (the temperature) which is modified over time to lower the probability of accepting worsening moves. We use this scheme as an automatic way to perform hyper-parameter tuning, hence the title of the paper. A distinctive feature of our scheme is that hyper-parameters are modified within a single SGD execution (and not in an external loop, as customary) and evaluated on the fly on the current minibatch, i.e., their tuning is fully embedded within the SGD algorithm. The use of SA for training is not new, but previous proposals were mainly intended for non-differentiable objective functions for which SGD is not applied due to the lack of gradients. On the contrary, our SA method requires differentiability of (a proxy of) the loss function, and leverages on the availability of a gradient direction to define local moves that have a large probability to improve the current solution. Computational results on image classification (CIFAR-10) are reported, showing that the proposed approach leads to an improvement of the final validation accuracy for modern Deep Neural Networks such as ResNet34 and VGG16.

Attributed graph clustering is challenging as it requires joint modelling of graph structures and node attributes. Recent progress on graph convolutional networks has proved that graph convolution is effective in combining structural and content information, and several recent methods based on it have achieved promising clustering performance on some real attributed networks. However, there is limited understanding of how graph convolution affects clustering performance and how to properly use it to optimize performance for different graphs. Existing methods essentially use graph convolution of a fixed and low order that only takes into account neighbours within a few hops of each node, which underutilizes node relations and ignores the diversity of graphs. In this paper, we propose an adaptive graph convolution method for attributed graph clustering that exploits high-order graph convolution to capture global cluster structure and adaptively selects the appropriate order for different graphs. We establish the validity of our method by theoretical analysis and extensive experiments on benchmark datasets. Empirical results show that our method compares favourably with state-of-the-art methods.

Temporal point process is an expressive tool for modeling event sequences over time. In this paper, we take a reinforcement learning view whereby the observed sequences are assumed to be generated from a mixture of latent policies. The purpose is to cluster the sequences with different temporal patterns into the underlying policies while learning each of the policy model. The flexibility of our model lies in: i) all the components are networks including the policy network for modeling the intensity function of temporal point process; ii) to handle varying-length event sequences, we resort to inverse reinforcement learning by decomposing the observed sequence into states (RNN hidden embedding of history) and actions (time interval to next event) in order to learn the reward function, thus achieving better performance or increasing efficiency compared to existing methods using rewards over the entire sequence such as log-likelihood or Wasserstein distance. We adopt an expectation-maximization framework with the E-step estimating the cluster labels for each sequence, and the M-step aiming to learn the respective policy. Extensive experiments show the efficacy of our method against state-of-the-arts.

Market and customer segmentation are some of the most important tasks in any company. The segmentation done will influence marketing and sales decisions, and potentially the survival of a company. Surprisingly, despite the advance in machine learning, few marketers are using such technology to augment their all-important market and customer segmentation efforts. In this article, I will show you how to augment your segmentation analysis with a simple, yet powerful machine learning technique called K-means. Learning this will give you an edge over your competitors (and colleagues).

Unsupervised Learning has been called the closest thing we have to "actual" Artificial Intelligence, in the sense of General AI, with K-Means Clustering one of its simplest, but most powerful applications. I am not here to discuss whether those claims are true or not, as I am not an expert nor a philosopher. I will however state, that I am often amazed by how well unsupervised learning techniques, even the most rudimentary, capture patterns in the data that I would expect only people to find. Today we'll apply unsupervised learning on a Dataset I gathered myself. It's a database of professional Magic: The Gathering decks that I crawled from mtgtop8.com, an awesome website if you're into Magic: the Gathering. I scraped the MtgTop8 data from a few years of tournaments, and they're all available to be consumed in this GitHub repository.