With the rapid development of digital information, the data volume generated by humans and machines is growing exponentially. Along with this trend, machine learning algorithms have been formed and evolved continuously to discover new information and knowledge from different data sources. Learning algorithms using hyperboxes as fundamental representational and building blocks are a branch of machine learning methods. These algorithms have enormous potential for high scalability and online adaptation of predictors built using hyperbox data representations to the dynamically changing environments and streaming data. This paper aims to give a comprehensive survey of literature on hyperbox-based machine learning models. In general, according to the architecture and characteristic features of the resulting models, the existing hyperbox-based learning algorithms may be grouped into three major categories: fuzzy min-max neural networks, hyperbox-based hybrid models, and other algorithms based on hyperbox representation. Within each of these groups, this paper shows a brief description of the structure of models, associated learning algorithms, and an analysis of their advantages and drawbacks. Main applications of these hyperbox-based models to the real-world problems are also described in this paper. Finally, we discuss some open problems and identify potential future research directions in this field.

Energy disaggregation in a non-intrusive way estimates appliance level electricity consumption from a single meter that measures the whole house electricity demand. Recently, with the ongoing increment of energy data, there are many data-driven deep learning architectures being applied to solve the non-intrusive energy disaggregation problem. However, most proposed methods try to estimate the on-off state or the power consumption of appliance, which need not only large amount of parameters, but also hyper-parameter optimization prior to training and even preprocessing of energy data for a specified appliance. In this paper, instead of estimating on-off state or power consumption, we adapt a neural network to estimate the operational state change of appliance. Our proposed solution is more feasible across various appliances and lower complexity comparing to previous methods. The simulated experiments in the low sample rate dataset REDD show the competitive performance of the designed method, with respect to other two benchmark methods, Hidden Markov Model-based and Graph Signal processing-based approaches.

With latent variables, stochastic recurrent models have achieved state-of-the-art performance in modeling sound-wave sequence. However, opposite results are also observed in other domains, where standard recurrent networks often outperform stochastic models. To better understand this discrepancy, we re-examine the roles of latent variables in stochastic recurrent models for speech density estimation. Our analysis reveals that under the restriction of fully factorized output distribution in previous evaluations, the stochastic models were implicitly leveraging intra-step correlation but the standard recurrent baselines were prohibited to do so, resulting in an unfair comparison. To correct the unfairness, we remove such restriction in our re-examination, where all the models can explicitly leverage intra-step correlation with an auto-regressive structure. Over a diverse set of sequential data, including human speech, MIDI music, handwriting trajectory and frame-permuted speech, our results show that stochastic recurrent models fail to exhibit any practical advantage despite the claimed theoretical superiority. In contrast, standard recurrent models equipped with an auto-regressive output distribution consistently perform better, significantly advancing the state-of-the-art results on three speech datasets.

Recently, many adversarial examples have emerged for Deep Neural Networks (DNNs) causing misclassifications. However, in-depth work still needs to be performed to demonstrate such attacks and security vulnerabilities for spiking neural networks (SNNs), i.e. the 3rd generation NNs. This paper aims at addressing the fundamental questions:"Are SNNs vulnerable to the adversarial attacks as well?" and "if yes, to what extent?" Using a Spiking Deep Belief Network (SDBN) for the MNIST database classification, we show that the SNN accuracy decreases accordingly to the noise magnitude in data poisoning random attacks applied to the test images. Moreover, SDBNs generalization capabilities increase by applying noise to the training images. We develop a novel black box attack methodology to automatically generate imperceptible and robust adversarial examples through a greedy algorithm, which is first of its kind for SNNs.

Despite the huge success of deep neural networks (NNs), finding good mechanisms for quantifying their prediction uncertainty is still an open problem. Bayesian neural networks are one of the most popular approaches to uncertainty quantification. On the other hand, it was recently shown that ensembles of NNs, which belong to the class of mixture models, can be used to quantify prediction uncertainty. In this paper, we build upon these two approaches. First, we increase the mixture model's flexibility by replacing the fixed mixing weights by an adaptive, input-dependent distribution (specifying the probability of each component) represented by NNs, and by considering uncountably many mixture components. The resulting class of models can be seen as the continuous counterpart to mixture density networks and is therefore referred to as compound density networks (CDNs). We employ both maximum likelihood and variational Bayesian inference to train CDNs, and empirically show that they yield better uncertainty estimates on out-of-distribution data and are more robust to adversarial examples than the previous approaches.

We propose to meta-learn causal structures based on how fast a learner adapts to new distributions arising from sparse distributional changes, e.g. due to interventions, actions of agents and other sources of non-stationarities. We show that under this assumption, the correct causal structural choices lead to faster adaptation to modified distributions because the changes are concentrated in one or just a few mechanisms when the learned knowledge is modularized appropriately. This leads to sparse expected gradients and a lower effective number of degrees of freedom needing to be relearned while adapting to the change. It motivates using the speed of adaptation to a modified distribution as a meta-learning objective. We demonstrate how this can be used to determine the cause-effect relationship between two observed variables. The distributional changes do not need to correspond to standard interventions (clamping a variable), and the learner has no direct knowledge of these interventions. We show that causal structures can be parameterized via continuous variables and learned end-to-end. We then explore how these ideas could be used to also learn an encoder that would map low-level observed variables to unobserved causal variables leading to faster adaptation out-of-distribution, learning a representation space where one can satisfy the assumptions of independent mechanisms and of small and sparse changes in these mechanisms due to actions and non-stationarities.

While optimization methodology has provided much of the underlying algorithmic machinery that has driven the theory and practice of machine learning in recent years, sampling-based methodology, in particular Markov chain Monte Carlo (MCMC), remains of critical importance, given its role in linking algorithms to statistical inference and, in particular, its ability to provide notions of confidence that are lacking in optimization-based methodology. However, the classical theory of MCMC is largely asymptotic and the theory has not developed as rapidly in recent years as the theory of optimization. Recently, however, a literature has emerged that derives nonasymptotic rates for MCMC algorithms [see, e.g., 9, 12, 10, 8, 6, 14, 21, 22, 2, 5]. This work has explicitly aimed at making use of ideas from optimization; in particular, whereas the classical literature on MCMC focused on reversible Markov chains, the recent literature has focused on nonreversible stochastic processes that are built on gradients [see, e.g., 18, 20, 3, 1]. In particular, the gradient-based Langevin algorithm [33, 32, 13] has been shown to be a form of gradient descent on the space of probabilities [see, e.g., 36]. What has not yet emerged is an analog of acceleration. Recall that the notion of acceleration has played a key role in gradient-based optimization methods [26]. In particular, the Nesterov accelerated gradient descent (AGD) method, an instance of the general family of "momentum methods," provably achieves faster convergence rate than gradient descent (GD) in a variety of settings [25]. Moreover, it achieves the optimal convergence rate under an oracle model of optimization complexity in the convex setting [24].

Predicting bioactivity and physical properties of small molecules is a central challenge in drug discovery. Deep learning is becoming the method of choice but studies to date focus on mean accuracy as the main metric. However, to replace costly and mission-critical experiments by models, a high mean accuracy is not enough: Outliers can derail a discovery campaign, thus models need reliably predict when it will fail, even when the training data is biased; experiments are expensive, thus models need to be data-efficient and suggest informative training sets using active learning. We show that uncertainty quantification and active learning can be achieved by Bayesian semi-supervised graph convolutional neural networks. The Bayesian approach estimates uncertainty in a statistically principled way through sampling from the posterior distribution. Semi-supervised learning disentangles representation learning and regression, keeping uncertainty estimates accurate in the low data limit and allowing the model to start active learning from a small initial pool of training data. Our study highlights the promise of Bayesian deep learning for chemistry.

Click to learn more about video blogger Laura Kahn. This is Lesson 11 in the Data Science in 90 Seconds video blog series from host Laura Kahn. The series covers some of the most prominent questions in Data Science such as Supervised and Unsupervised Learning, K-Means Clustering, Naive Bayes, Decision Trees and Random Forests, Ridge Regression, kNN and more.

In this paper we consider the problem of how a reinforcement learning agent that is tasked with solving a sequence of reinforcement learning problems (a sequence of Markov decision processes) can use knowledge acquired early in its lifetime to improve its ability to solve new problems. We argue that previous experience with similar problems can provide an agent with information about how it should explore when facing a new but related problem. We show that the search for an optimal exploration strategy can be formulated as a reinforcement learning problem itself and demonstrate that such strategy can leverage patterns found in the structure of related problems. We conclude with experiments that show the benefits of optimizing an exploration strategy using our proposed approach.