Existing Graph Neural Network (GNN) methods that learn graph representations focus on learning node and edge representations by predicting observed edges in the graph. Although such approaches have shown advances in downstream node classification tasks, they are ineffective in jointly representing larger k-node sets, k{>}2. We propose MHM-GNN, an inductive unsupervised graph representation approach that combines joint k-node representations with energy-based models (hypergraph Markov networks) and GNNs. To address the intractability of the loss that arises from this combination, we endow our optimization with a loss upper bound using a finite-sample unbiased Markov Chain Monte Carlo estimator. Our experiments show that the unsupervised joint k-node representations of MHM-GNN produce better unsupervised representations than existing approaches from the literature.

Fine-grained zero-shot learning task requires some form of side-information to transfer discriminative information from seen to unseen classes. As manually annotated visual attributes are extremely costly and often impractical to obtain for a large number of classes, in this study we use DNA as a side information for the first time for fine-grained zero-shot classification of species. Mitochondrial DNA plays an important role as a genetic marker in evolutionary biology and has been used to achieve near perfect accuracy in species classification of living organisms. We implement a simple hierarchical Bayesian model that uses DNA information to establish the hierarchy in the image space and employs local priors to define surrogate classes for unseen ones. On the benchmark CUB dataset we show that DNA can be equally promising, yet in general a more accessible alternative than word vectors as a side information. This is especially important as obtaining robust word representations for fine-grained species names is not a practicable goal when information about these species in free-form text is limited. On a newly compiled fine-grained insect dataset that uses DNA information from over a thousand species we show that the Bayesian approach outperforms state-of-the-art by a wide margin.

The Bayes-Adaptive Markov Decision Process (BAMDP) formalism pursues the Bayes-optimal solution to the exploration-exploitation trade-off in reinforcement learning. As the computation of exact solutions to Bayesian reinforcement-learning problems is intractable, much of the literature has focused on developing suitable approximation algorithms. In this work, before diving into algorithm design, we first define, under mild structural assumptions, a complexity measure for BAMDP planning. As efficient exploration in BAMDPs hinges upon the judicious acquisition of information, our complexity measure highlights the worst-case difficulty of gathering information and exhausting epistemic uncertainty. To illustrate its significance, we establish a computationally-intractable, exact planning algorithm that takes advantage of this measure to show more efficient planning. We then conclude by introducing a specific form of state abstraction with the potential to reduce BAMDP complexity and gives rise to a computationally-tractable, approximate planning algorithm.

Score matching estimators for point processes have gained widespread attention in recent years because they do not require the calculation of intensity integrals, thereby effectively addressing the computational challenges in maximum likelihood estimation (MLE). Some existing works have proposed score matching estimators for point processes. However, this work demonstrates that the incompleteness of the estimators proposed in those works renders them applicable only to specific problems, and they fail for more general point processes. To address this issue, this work introduces the weighted score matching estimator to point processes. Theoretically, we prove the consistency of the estimator we propose. Experimental results indicate that our estimator accurately estimates model parameters on synthetic data and yields results consistent with MLE on real data. In contrast, existing score matching estimators fail to perform effectively.

Greedy algorithms have long been a workhorse for learning graphical models, and more broadly for learning statistical models with sparse structure. In the context of learning directed acyclic graphs, greedy algorithms are popular despite their worst-case exponential runtime. In practice, however, they are very efficient. We provide new insight into this phenomenon by studying a general greedy score-based algorithm for learning DAGs. Unlike edge-greedy algorithms such as the popular GES and hill-climbing algorithms, our approach is vertex-greedy and requires at most a polynomial number of score evaluations. We then show how recent polynomial-time algorithms for learning DAG models are a special case of this algorithm, thereby illustrating how these order-based algorithms can be rigourously interpreted as score-based algorithms. This observation suggests new score functions and optimality conditions based on the duality between Bregman divergences and exponential families, which we explore in detail. Explicit sample and computational complexity bounds are derived. Finally, we provide extensive experiments suggesting that this algorithm indeed optimizes the score in a variety of settings.

We consider a high-dimensional mean estimation problem over a binary hidden Markov model, which illuminates the interplay between memory in data, sample size, dimension, and signal strength in statistical inference. In this model, an estimator observes $n$ samples of a $d$-dimensional parameter vector $\theta_{*}\in\mathbb{R}^{d}$, multiplied by a random sign $ S_i $ ($1\le i\le n$), and corrupted by isotropic standard Gaussian noise. The sequence of signs $\{S_{i}\}_{i\in[n]}\in\{-1,1\}^{n}$ is drawn from a stationary homogeneous Markov chain with flip probability $\delta\in[0,1/2]$. As $\delta$ varies, this model smoothly interpolates two well-studied models: the Gaussian Location Model for which $\delta=0$ and the Gaussian Mixture Model for which $\delta=1/2$. Assuming that the estimator knows $\delta$, we establish a nearly minimax optimal (up to logarithmic factors) estimation error rate, as a function of $\|\theta_{*}\|,\delta,d,n$. We then provide an upper bound to the case of estimating $\delta$, assuming a (possibly inaccurate) knowledge of $\theta_{*}$. The bound is proved to be tight when $\theta_{*}$ is an accurately known constant. These results are then combined to an algorithm which estimates $\theta_{*}$ with $\delta$ unknown a priori, and theoretical guarantees on its error are stated.

This work studies the problem of learning episodic Markov Decision Processes with known transition and bandit feedback. We develop the first algorithm with a ``best-of-both-worlds'' guarantee: it achieves O(log T) regret when the losses are stochastic, and simultaneously enjoys worst-case robustness with \tilde{O}(\sqrt{T}) regret even when the losses are adversarial, where T is the number of episodes. More generally, it achieves \tilde{O}(\sqrt{C}) regret in an intermediate setting where the losses are corrupted by a total amount of C. Our algorithm is based on the Follow-the-Regularized-Leader method from Zimin and Neu (2013), with a novel hybrid regularizer inspired by recent works of Zimmert et al. (2019a, 2019b) for the special case of multi-armed bandits. Crucially, our regularizer admits a non-diagonal Hessian with a highly complicated inverse. Analyzing such a regularizer and deriving a particular self-bounding regret guarantee is our key technical contribution and might be of independent interest.

We develop scalable methods for producing conformal Bayesian predictive intervals with finite sample calibration guarantees. Bayesian posterior predictive distributions, $p(y \mid x)$, characterize subjective beliefs on outcomes of interest, $y$, conditional on predictors, $x$. Bayesian prediction is well-calibrated when the model is true, but the predictive intervals may exhibit poor empirical coverage when the model is misspecified, under the so called ${\cal{M}}$-open perspective. In contrast, conformal inference provides finite sample frequentist guarantees on predictive confidence intervals without the requirement of model fidelity. Using'add-one-in' importance sampling, we show that conformal Bayesian predictive intervals are efficiently obtained from re-weighted posterior samples of model parameters. Our approach contrasts with existing conformal methods that require expensive refitting of models or data-splitting to achieve computational efficiency. We demonstrate the utility on a range of examples including extensions to partially exchangeable settings such as hierarchical models.

Bandits with knapsacks (BwK) is an influential model of sequential decision-making under uncertainty that incorporates resource consumption constraints. In each round, the decision-maker observes an outcome consisting of a reward and a vector of nonnegative resource consumptions, and the budget of each resource is decremented by its consumption. In this paper we introduce a natural generalization of the stochastic BwK problem that allows non-monotonic resource utilization. In each round, the decision-maker observes an outcome consisting of a reward and a vector of resource drifts that can be positive, negative or zero, and the budget of each resource is incremented by its drift. Our main result is a Markov decision process (MDP) policy that has constant regret against a linear programming (LP) relaxation when the decision-maker knows the true outcome distributions. We build upon this to develop a learning algorithm that has logarithmic regret against the same LP relaxation when the decision-maker does not know the true outcome distributions. We also present a reduction from BwK to our model that shows our regret bound matches existing results.

The study of Markov processes and broadcasting on trees has deep connections to a variety of areas including statistical physics, graphical models, phylogenetic reconstruction, Markov Chain Monte Carlo, and community detection in random graphs. Notably, the celebrated Belief Propagation (BP) algorithm achieves Bayes-optimal performance for the reconstruction problem of predicting the value of the Markov process at the root of the tree from its values at the leaves.Recently, the analysis of low-degree polynomials has emerged as a valuable tool for predicting computational-to-statistical gaps. In this work, we investigate the performance of low-degree polynomials for the reconstruction problem on trees. Perhaps surprisingly, we show that there are simple tree models with $N$ leaves and bounded arity where (1) nontrivial reconstruction of the root value is possible with a simple polynomial time algorithm and with robustness to noise, but not with any polynomial of degree $N^{c}$ for $c > 0$ a constant depending only on the arity, and (2) when the tree is unknown and given multiple samples with correlated root assignments, nontrivial reconstruction of the root value is possible with a simple Statistical Query algorithm but not with any polynomial of degree $N^c$. These results clarify some of the limitations of low-degree polynomials vs. polynomial time algorithms for Bayesian estimation problems. They also complement recent work of Moitra, Mossel, and Sandon who studied the circuit complexity of Belief Propagation. As a consequence of our main result, we are able to prove a result of independent interest regarding the performance of RBF kernel ridge regression for learning to predict the root coloration: for some $c' > 0$ depending only on the arity, $\exp(N^{c'})$ many samples are needed for the kernel regression to obtain nontrivial correlation with the true regression function (BP). We pose related open questions about low-degree polynomials and the Kesten-Stigum threshold.