We provide a novel convergence analysis of two popular sampling algorithms, Weighted Kernel Herding and Sequential Bayesian Quadrature, that are used to approximate the expectation of a function under a distribution. Existing theoretical analysis was insufficient to explain the empirical successes of these algorithms. We improve upon existing convergence rates to show that, under mild assumptions, these algorithms converge linearly. To this end, we also suggest a simplifying assumption that is true for most cases in finite dimensions, and that acts as a sufficient condition for linear convergence to hold in the much harder case of infinite dimensions. When this condition is not satisfied, we provide a weaker convergence guarantee. Our analysis also yields a new distributed algorithm for large-scale computation that we prove converges linearly under the same assumptions. Finally, we provide an empirical evaluation to test the proposed algorithm for a real world application.

Predicting the remaining useful life of machinery, infrastructure, or other equipment can facilitate preemptive maintenance decisions, whereby a failure is prevented through timely repair or replacement. This allows for a better decision support by considering the anticipated time-to-failure and thus promises to reduce costs. Here a common baseline may be derived by fitting a probability density function to past lifetimes and then utilizing the (conditional) expected remaining useful life as a prognostic. This approach finds widespread use in practice because of its high explanatory power. A more accurate alternative is promised by machine learning, where forecasts incorporate deterioration processes and environmental variables through sensor data. However, machine learning largely functions as a black-box method and its forecasts thus forfeit most of the desired interpretability. As our primary contribution, we propose a structured-effect neural network for predicting the remaining useful life which combines the favorable properties of both approaches: its key innovation is that it offers both a high accountability and the flexibility of deep learning. The parameters are estimated via variational Bayesian inferences. The different approaches are compared based on the actual time-to-failure for aircraft engines. This demonstrates the performance and superior interpretability of our method, while we finally discuss implications for decision support.

Ages in ocean sediment cores are often inferred using either benthic ${\delta}^{18}{\rm{O}}$ or planktonic ${}^{14}{\rm{C}}$ of foraminiferal calcite. Existing probabilistic dating methods infer ages in two distinct approaches: ages are either inferred directly using radionuclides, e.g. Bacon [Blaauw and Christen (2011)]; or indirectly based on the alignment of records, e.g. HMM-Match [Lin et al. (2014)]. In this paper, we introduce a novel algorithm for integrating these two approaches by constructing Dual Proxy Gaussian Process (DPGP) stacks, which represent a probabilistic model of benthic ${\delta}^{18}{\rm{O}}$ change (and its timing) based on a set of cores. While a previous stack construction algorithm, HMM-Match, uses a discrete age inference model based on Hidden Markov models (HMMs) [Durbin et al. (1998)] and requires a number of records enough to sufficiently cover all its ages, DPGP stacks with time-varying variances are constructed with continuous ages obtained by particle smoothing [Doucet et al. (2001); Klaas et al. (2006)] and Markov-chain Monte Carlo (MCMC) [Peters (2008)] algorithms, and can be derived from a small number of records by applying the Gaussian process regression [Rasmussen and Williams (2005)]. As an example of the stacking method, we construct a local stack from 6 cores in the deep northeastern Atlantic Ocean and compare it to a deterministically constructed ${\delta}^{18}{\rm{O}}$ stack of 58 cores from the deep North Atlantic [Lisiecki and Stern (2016)]. We also provide two examples of how dual proxy alignment ages can be inferred by aligning additional cores to the stack.

Multimorbidity, or the presence of several medical conditions in the same individual, have been increasing in the population both in absolute and relative terms. However, multimorbidity remains poorly understood, and the evidence from existing research to describe its burden, determinants and consequences have been limited. Many of these studies are often cross-sectional and do not explicitly account for multimorbidity patterns' evolution over time. Some studies were based on small datasets, used arbitrary or narrow age range, or lacked appropriate clinical validations. In this study, we applied Non-negative Matrix Factorisation (NMF) in a novel way to one of the largest electronic health records (EHR) databases in the world (with 4 million patients), for simultaneously modelling disease clusters and their role in one's multimorbidity over time. Furthermore, we demonstrated how the temporal characteristics that our model associates with each disease cluster can help mine disease trajectories/networks and generate new hypotheses for the formation of multimorbidity clusters as a function of time/ageing. Our results suggest that our method's ability to learn the underlying dynamics of diseases can provide the field with a novel data-driven / exploratory way of learning the patterns of multimorbidity and their interactions over time.

Most known regret bounds for reinforcement learning are either episodic or assume an environment without traps. We derive a regret bound without making either assumption, by allowing the algorithm to occasionally delegate an action to an external advisor. We thus arrive at a setting of active one-shot model-based reinforcement learning that we call DRL (delegative reinforcement learning.) The algorithm we construct in order to demonstrate the regret bound is a variant of Posterior Sampling Reinforcement Learning supplemented by a subroutine that decides which actions should be delegated. The algorithm is not anytime, since the parameters must be adjusted according to the target time discount. Currently, our analysis is limited to Markov decision processes with finite numbers of hypotheses, states and actions.

The Generalised Travelling Salesman Problem (GTSP) is a well-known problem that, among other applications, arises in warehouse order picking, where each stock is distributed between several locations -- a typical approach in large modern warehouses. However, the instances commonly used in the literature have a completely different structure, and the methods are designed with those instances in mind. In this paper, we give a new pseudo-random instance generator that reflects the warehouse order picking and publish new benchmark testbeds. We also use the Conditional Markov Chain Search framework to automatically generate new GTSP metaheuristics trained specifically for warehouse order picking. Finally, we report the computational results of our metaheuristics to enable further competition between solvers.

Personalized Route Recommendation (PRR) aims to generate user-specific route suggestions in response to users' route queries. Early studies cast the PRR task as a pathfinding problem on graphs, and adopt adapted search algorithms by integrating heuristic strategies. Although these methods are effective to some extent, they require setting the cost functions with heuristics. In addition, it is difficult to utilize useful context information in the search procedure. To address these issues, we propose using neural networks to automatically learn the cost functions of a classic heuristic algorithm, namely A* algorithm, for the PRR task. Our model consists of two components. First, we employ attention-based Recurrent Neural Networks (RNN) to model the cost from the source to the candidate location by incorporating useful context information. Instead of learning a single cost value, the RNN component is able to learn a time-varying vectorized representation for the moving state of a user. Second, we propose to use a value network for estimating the cost from a candidate location to the destination. For capturing structural characteristics, the value network is built on top of improved graph attention networks by incorporating the moving state of a user and other context information. The two components are integrated in a principled way for deriving a more accurate cost of a candidate location. Extensive experiment results on three real-world datasets have shown the effectiveness and robustness of the proposed model.

End-to-end learning has recently emerged as a promising technique to tackle the problem of autonomous driving. Existing works show that learning a navigation policy from raw sensor data may reduce the system's reliance on external sensing systems, (e.g. GPS), and/or outperform traditional methods based on state estimation and planning. However, existing end-to-end methods generally trade off performance for safety, hindering their diffusion to real-life applications. For example, when confronted with an input which is radically different from the training data, end-to-end autonomous driving systems are likely to fail, compromising the safety of the vehicle. To detect such failure cases, this work proposes a general framework for uncertainty estimation which enables a policy trained end-to-end to predict not only action commands, but also a confidence about its own predictions. In contrast to previous works, our framework can be applied to any existing neural network and task, without the need to change the network's architecture or loss, or to train the network. In order to do so, we generate confidence levels by forward propagation of input and model uncertainties using Bayesian inference. We test our framework on the task of steering angle regression for an autonomous car, and compare our approach to existing methods with both qualitative and quantitative results on a real dataset. Finally, we show an interesting by-product of our framework: robustness against adversarial attacks.

The success of generative modeling in continuous domains has led to a surge of interest in generating discrete data such as molecules, source code, and graphs. However, construction histories for these discrete objects are typically not unique and so generative models must reason about intractably large spaces in order to learn. Additionally, structured discrete domains are often characterized by strict constraints on what constitutes a valid object and generative models must respect these requirements in order to produce useful novel samples. Here, we present a generative model for discrete objects employing a Markov chain where transitions are restricted to a set of local operations that preserve validity. Building off of generative interpretations of denoising autoencoders, the Markov chain alternates between producing 1) a sequence of corrupted objects that are valid but not from the data distribution, and 2) a learned reconstruction distribution that attempts to fix the corruptions while also preserving validity. This approach constrains the generative model to only produce valid objects, requires the learner to only discover local modifications to the objects, and avoids marginalization over an unknown and potentially large space of construction histories. We evaluate the proposed approach on two highly structured discrete domains, molecules and Laman graphs, and find that it compares favorably to alternative methods at capturing distributional statistics for a host of semantically relevant metrics.

Prevalent efforts have been put in automatically inferring genres of musical items. Yet, the propose solutions often rely on simplifications and fail to address the diversity and subjectivity of music genres. Accounting for these has, though, many benefits for aligning knowledge sources, integrating data and enriching musical items with tags. Here, we choose a new angle for the genre study by seeking to predict what would be the genres of musical items in a target tag system, knowing the genres assigned to them within source tag systems. We call this a translation task and identify three cases: 1) no common annotated corpus between source and target tag systems exists, 2) such a large corpus exists, 3) only few common annotations exist. We propose the related solutions: a knowledge-based translation modeled as taxonomy mapping, a statistical translation modeled with maximum likelihood logistic regression; a hybrid translation modeled with maximum a posteriori logistic regression with priors given by the knowledge-based translation. During evaluation, the solutions fit well the identified cases and the hybrid translation is systematically the most effective w.r.t. multilabel classification metrics. This is a first attempt to unify genre tag systems by leveraging both representation and interpretation diversity.