We present a method for conditional sampling with normalizing flows when only part of an observation is available. We rely on the following fact: if the flow's domain can be partitioned in such a way that the flow restrictions to subdomains keep the bijectivity property, a lower bound to the conditioning variable log-probability can be derived. Simulation from the variational conditional flow then amends to solving an equality constraint. Our contribution is three-fold: a) we provide detailed insights on the choice of variational distributions; b) we propose how to partition the input space of the flow to preserve bijectivity property; c) we propose a set of methods to optimise the variational distribution in specific cases. Through extensive experiments, we show that our sampling method can be applied with success to invertible residual networks for inference and classification.

There is significant interest in learning and optimizing a complex system composed of multiple sub-components, where these components may be agents or autonomous sensors. Among the rich literature on this topic, agent-based and domain-specific simulations can capture complex dynamics and subgroup interaction, but optimizing over such simulations can be computationally and algorithmically challenging. Bayesian approaches, such as Gaussian processes (GPs), can be used to learn a computationally tractable approximation to the underlying dynamics but typically neglect the detailed information about subgroups in the complicated system. We attempt to find the best of both worlds by proposing the idea of decomposed feedback, which captures group-based heterogeneity and dynamics. We introduce a novel decomposed GP regression to incorporate the subgroup decomposed feedback. Our modified regression has provably lower variance -- and thus a more accurate posterior -- compared to previous approaches; it also allows us to introduce a decomposed GP-UCB optimization algorithm that leverages subgroup feedback. The Bayesian nature of our method makes the optimization algorithm trackable with a theoretical guarantee on convergence and no-regret property. To demonstrate the wide applicability of this work, we execute our algorithm on two disparate social problems: infectious disease control in a heterogeneous population and allocation of distributed weather sensors. Experimental results show that our new method provides significant improvement compared to the state-of-the-art.

When observing task demonstrations, human apprentices are able to identify whether a given task is executed correctly long before they gain expertise in actually performing that task. Prior research into learning from demonstrations (LfD) has failed to capture this notion of the acceptability of a task's execution; meanwhile, temporal logics provide a flexible language for expressing task specifications. Inspired by this, we present Bayesian specification inference, a probabilistic model for inferring task specification as a temporal logic formula. We incorporate methods from probabilistic programming to define our priors, along with a domain-independent likelihood function to enable sampling-based inference. We demonstrate the efficacy of our model for inferring specifications, with over 90% similarity observed between the inferred specification and the ground truth, both within a synthetic domain and during a real-world table setting task.

We study the problem of determining the best intervention in a Causal Bayesian Network (CBN) specified only by its causal graph. We model this as a stochastic multi-armed bandit (MAB) problem with side-information, where the interventions correspond to the arms of the bandit instance. First, we propose a simple regret minimization algorithm that takes as input a semi-Markovian causal graph with atomic interventions and possibly unobservable variables, and achieves $\tilde{O}(\sqrt{M/T})$ expected simple regret, where $M$ is dependent on the input CBN and could be very small compared to the number of arms. We also show that this is almost optimal for CBNs described by causal graphs having an $n$-ary tree structure. Our simple regret minimization results, both upper and lower bound, subsume previous results in the literature, which assumed additional structural restrictions on the input causal graph. In particular, our results indicate that the simple regret guarantee of our proposed algorithm can only be improved by considering more nuanced structural restrictions on the causal graph. Next, we propose a cumulative regret minimization algorithm that takes as input a general causal graph with all observable nodes and atomic interventions and performs better than the optimal MAB algorithm that does not take causal side-information into account. We also experimentally compare both our algorithms with the best known algorithms in the literature. To the best of our knowledge, this work gives the first simple and cumulative regret minimization algorithms for CBNs with general causal graphs under atomic interventions and having unobserved confounders.

Majority-SAT is the problem of determining whether an input $n$-variable formula in conjunctive normal form (CNF) has at least $2^{n-1}$ satisfying assignments. Majority-SAT and related problems have been studied extensively in various AI communities interested in the complexity of probabilistic planning and inference. Although Majority-SAT has been known to be PP-complete for over 40 years, the complexity of a natural variant has remained open: Majority-$k$SAT, where the input CNF formula is restricted to have clause width at most $k$. We prove that for every $k$, Majority-$k$SAT is in P. In fact, for any positive integer $k$ and rational $\rho \in (0,1)$ with bounded denominator, we give an algorithm that can determine whether a given $k$-CNF has at least $\rho \cdot 2^n$ satisfying assignments, in deterministic linear time (whereas the previous best-known algorithm ran in exponential time). Our algorithms have interesting positive implications for counting complexity and the complexity of inference, significantly reducing the known complexities of related problems such as E-MAJ-$k$SAT and MAJ-MAJ-$k$SAT. At the heart of our approach is an efficient method for solving threshold counting problems by extracting sunflowers found in the corresponding set system of a $k$-CNF. We also show that the tractability of Majority-$k$SAT is somewhat fragile. For the closely related GtMajority-SAT problem (where we ask whether a given formula has greater than $2^{n-1}$ satisfying assignments) which is known to be PP-complete, we show that GtMajority-$k$SAT is in P for $k\le 3$, but becomes NP-complete for $k\geq 4$. These results are counterintuitive, because the ``natural'' classifications of these problems would have been PP-completeness, and because there is a stark difference in the complexity of GtMajority-$k$SAT and Majority-$k$SAT for all $k\ge 4$.

Time series forecasting is a growing domain with diverse applications. However, changes of the system behavior over time due to internal or external influences are challenging. Therefore, predictions of a previously learned fore-casting model might not be useful anymore. In this paper, we present EVent-triggered Augmented Refitting of Gaussian Process Regression for Seasonal Data (EVARS-GPR), a novel online algorithm that is able to handle sudden shifts in the target variable scale of seasonal data. For this purpose, EVARS-GPR com-bines online change point detection with a refitting of the prediction model using data augmentation for samples prior to a change point. Our experiments on sim-ulated data show that EVARS-GPR is applicable for a wide range of output scale changes. EVARS-GPR has on average a 20.8 % lower RMSE on different real-world datasets compared to methods with a similar computational resource con-sumption. Furthermore, we show that our algorithm leads to a six-fold reduction of the averaged runtime in relation to all comparison partners with a periodical refitting strategy. In summary, we present a computationally efficient online fore-casting algorithm for seasonal time series with changes of the target variable scale and demonstrate its functionality on simulated as well as real-world data. All code is publicly available on GitHub: https://github.com/grimmlab/evars-gpr.

Bayesian probability theory is the fundamental framework for dealing with uncertain data, and is at the core of practical systems in machine learning and robotics [23, 11]. A probabilistic model relates unknown variables of interest to observable, known or assumed quantities and most generally takes the form of a graph whose connections encode those relationships. Inference is the process of forming the posterior distribution to determine properties of the unknown variables, given the observations, such as their most probable values or their full marginal distributions. There are various possible algorithms for probabilistic inference, many of which take advantage of specific problem structure for fast performance. Efficient inference on models represented by large, dynamic and highly inter-connected graphs however remains computationally challenging and is already a limiting factor in real embodied systems.

Density ratio estimation serves as an important technique in the unsupervised machine learning toolbox. However, such ratios are difficult to estimate for complex, high-dimensional data, particularly when the densities of interest are sufficiently different. In our work, we propose to leverage an invertible generative model to map the two distributions into a common feature space prior to estimation. This featurization brings the densities closer together in latent space, sidestepping pathological scenarios where the learned density ratios in input space can be arbitrarily inaccurate. At the same time, the invertibility of our feature map guarantees that the ratios computed in feature space are equivalent to those in input space. Empirically, we demonstrate the efficacy of our approach in a variety of downstream tasks that require access to accurate density ratios such as mutual information estimation, targeted sampling in deep generative models, and classification with data augmentation.

Relevance vector machine (RVM) is a popular sparse Bayesian learning model typically used for prediction. Recently it has been shown that improper priors assumed on multiple penalty parameters in RVM may lead to an improper posterior. Currently in the literature, the sufficient conditions for posterior propriety of RVM do not allow improper priors over the multiple penalty parameters. In this article, we propose a single penalty relevance vector machine (SPRVM) model in which multiple penalty parameters are replaced by a single penalty and we consider a semi Bayesian approach for fitting the SPRVM. The necessary and sufficient conditions for posterior propriety of SPRVM are more liberal than those of RVM and allow for several improper priors over the penalty parameter. Additionally, we also prove the geometric ergodicity of the Gibbs sampler used to analyze the SPRVM model and hence can estimate the asymptotic standard errors associated with the Monte Carlo estimate of the means of the posterior predictive distribution. Such a Monte Carlo standard error cannot be computed in the case of RVM, since the rate of convergence of the Gibbs sampler used to analyze RVM is not known. The predictive performance of RVM and SPRVM is compared by analyzing three real life datasets.

Markov Chain Monte Carlo inference of target posterior distributions in machine learning is predominately conducted via Hamiltonian Monte Carlo and its variants. This is due to Hamiltonian Monte Carlo based samplers ability to suppress random-walk behaviour. As with other Markov Chain Monte Carlo methods, Hamiltonian Monte Carlo produces auto-correlated samples which results in high variance in the estimators, and low effective sample size rates in the generated samples. Adding antithetic sampling to Hamiltonian Monte Carlo has been previously shown to produce higher effective sample rates compared to vanilla Hamiltonian Monte Carlo. In this paper, we present new algorithms which are antithetic versions of Riemannian Manifold Hamiltonian Monte Carlo and Quantum-Inspired Hamiltonian Monte Carlo. The Riemannian Manifold Hamiltonian Monte Carlo algorithm improves on Hamiltonian Monte Carlo by taking into account the local geometry of the target, which is beneficial for target densities that may exhibit strong correlations in the parameters. Quantum-Inspired Hamiltonian Monte Carlo is based on quantum particles that can have random mass. Quantum-Inspired Hamiltonian Monte Carlo uses a random mass matrix which results in better sampling than Hamiltonian Monte Carlo on spiky and multi-modal distributions such as jump diffusion processes. The analysis is performed on jump diffusion process using real world financial market data, as well as on real world benchmark classification tasks using Bayesian logistic regression.