Explainability in Artificial Intelligence has been revived as a topic of active research by the need of conveying safety and trust to users in the `how' and `why' of automated decision-making. Whilst a plethora of approaches have been developed for post-hoc explainability, only a few focus on how to use domain knowledge, and how this influences the understandability of an explanation from the users' perspective. In this paper we show how ontologies help the understandability of interpretable machine learning models, such as decision trees. In particular, we build on Trepan, an algorithm that explains artificial neural networks by means of decision trees, and we extend it to include ontologies modeling domain knowledge in the process of generating explanations. We present the results of a user study that measures the understandability of decision trees in domains where explanations are critical, namely, in finance and medicine. Our study shows that decision trees taking into account domain knowledge during generation are more understandable than those generated without the use of ontologies.

Recent variational inference methods use stochastic gradient estimators whose variance is not well understood. Theoretical guarantees for these estimators are important to understand when these methods will or will not work. This paper gives bounds for the common "reparameterization" estimators when the target is smooth and the variational family is a location-scale distribution. These bounds are unimprovable and thus provide the best possible guarantees under the stated assumptions.

State representation learning, or the ability to capture latent generative factors of an environment, is crucial for building intelligent agents that can perform a wide variety of tasks. Learning such representations without supervision from rewards is a challenging open problem. We introduce a method that learns state representations by maximizing mutual information across spatially and temporally distinct features of a neural encoder of the observations. We also introduce a new benchmark based on Atari 2600 games where we evaluate representations based on how well they capture the ground truth state variables. We believe this new framework for evaluating representation learning models will be crucial for future representation learning research. Finally, we compare our technique with other state-of-the-art generative and contrastive representation learning methods.

We consider a class of restless multi-armed bandit (RMAB) problems with unknown arm dynamics. At each time, a player chooses an arm out of N arms to play, referred to as an active arm, and receives a random reward from a finite set of reward states. The reward state of the active arm transits according to an unknown Markovian dynamics. The reward state of passive arms (which are not chosen to play at time t) evolves according to an arbitrary unknown random process. The objective is an arm-selection policy that minimizes the regret, defined as the reward loss with respect to a player that always plays the most rewarding arm. This class of RMAB problems has been studied recently in the context of communication networks and financial investment applications. We develop a strategy that selects arms to be played in a consecutive manner, dubbed Adaptive Sequencing Rules (ASR) algorithm. The sequencing rules for selecting arms under the ASR algorithm are adaptively updated and controlled by the current sample reward means. By designing judiciously the adaptive sequencing rules, we show that the ASR algorithm achieves a logarithmic regret order with time, and a finite-sample bound on the regret is established. Although existing methods have shown a logarithmic regret order with time in this RMAB setting, the theoretical analysis shows a significant improvement in the regret scaling with respect to the system parameters under ASR. Extensive simulation results support the theoretical study and demonstrate strong performance of the algorithm as compared to existing methods.

Imitation Learning describes the problem of recovering an expert policy from demonstrations. While inverse reinforcement learning approaches are known to be very sample-efficient in terms of expert demonstrations, they usually require problem-dependent reward functions or a (task-)specific reward-function regularization. In this paper, we show a natural connection between inverse reinforcement learning approaches and Optimal Transport, that enables more general reward functions with desirable properties (e.g., smoothness). Based on our observation, we propose a novel approach called Wasserstein Adversarial Imitation Learning. Our approach considers the Kantorovich potentials as a reward function and further leverages regularized optimal transport to enable large-scale applications. In several robotic experiments, our approach outperforms the baselines in terms of average cumulative rewards and shows a significant improvement in sample-efficiency, by requiring just one expert demonstration.

We study three fundamental statistical-learning problems: distribution estimation, property estimation, and property testing. We establish the profile maximum likelihood (PML) estimator as the first unified sample-optimal approach to a wide range of learning tasks. In particular, for every alphabet size $k$ and desired accuracy $\varepsilon$: $\textbf{Distribution estimation}$ Under $\ell_1$ distance, PML yields optimal $\Theta(k/(\varepsilon^2\log k))$ sample complexity for sorted-distribution estimation, and a PML-based estimator empirically outperforms the Good-Turing estimator on the actual distribution; $\textbf{Additive property estimation}$ For a broad class of additive properties, the PML plug-in estimator uses just four times the sample size required by the best estimator to achieve roughly twice its error, with exponentially higher confidence; $\boldsymbol{\alpha}\textbf{-R\'enyi entropy estimation}$ For integer $\alpha>1$, the PML plug-in estimator has optimal $k^{1-1/\alpha}$ sample complexity; for non-integer $\alpha>3/4$, the PML plug-in estimator has sample complexity lower than the state of the art; $\textbf{Identity testing}$ In testing whether an unknown distribution is equal to or at least $\varepsilon$ far from a given distribution in $\ell_1$ distance, a PML-based tester achieves the optimal sample complexity up to logarithmic factors of $k$. With minor modifications, most of these results also hold for a near-linear-time computable variant of PML.

Explanation methods aim to make neural networks more trustworthy and interpretable. In this paper, we demonstrate a property of explanation methods which is disconcerting for both of these purposes. Namely, we show that explanations can be manipulated arbitrarily by applying visually hardly perceptible perturbations to the input that keep the network's output approximately constant. We establish theoretically that this phenomenon can be related to certain geometrical properties of neural networks. This allows us to derive an upper bound on the susceptibility of explanations to manipulations. Based on this result, we propose effective mechanisms to enhance the robustness of explanations.

We describe a type of neural network, called a Resonator Circuit, that factors high-dimensional vectors. Given a composite vector formed by the Hadamard product of several other vectors drawn from a discrete set, a Resonator Circuit can efficiently decompose the composite into these factors. This paper focuses on the case of "bipolar" vectors whose elements are $\pm1$ and characterizes the solution quality, stability properties, and speed of Resonator Circuits in comparison to several benchmark optimization methods including Alternating Least Squares, Iterative Soft Thresholding, and Multiplicative Weights. We find that Resonator Circuits substantially outperform these alternative methods by leveraging a combination of powerful nonlinear dynamics and "searching in superposition", by which we mean that estimates of the correct solution are, at any given time, formed from a weighted superposition of all possible solutions. The considered alternative methods also search in superposition, but the dynamics of Resonator Circuits allow them to strike a more natural balance between exploring the solution space and exploiting local information to drive the network toward probable solutions. Resonator Circuits can be conceptualized as a set of interconnected Hopfield Networks, and this leads to some interesting analysis. In particular, while a Hopfield Network descends an energy function and is guaranteed to converge, a Resonator Circuit is not. However, there exists a high-fidelity regime where Resonator Circuits almost always do converge, and they can solve the factorization problem extremely well. As factorization is central to many aspects of perception and cognition, we believe that Resonator Circuits may bring us a step closer to understanding how this computationally difficult problem is efficiently solved by neural circuits in brains.

We present a novel extension to embedding-based knowledge graph completion models which enables them to perform open-world link prediction, i.e. to predict facts for entities unseen in training based on their textual description. Our model combines a regular link prediction model learned from a knowledge graph with word embeddings learned from a textual corpus. After training both independently, we learn a transformation to map the embeddings of an entity's name and description to the graph-based embedding space. In experiments on several datasets including FB20k, DBPedia50k and our new dataset FB15k-237-OWE, we demonstrate competitive results. Particularly, our approach exploits the full knowledge graph structure even when textual descriptions are scarce, does not require a joint training on graph and text, and can be applied to any embedding-based link prediction model, such as TransE, ComplEx and DistMult.

Protein modeling is an increasingly popular area of machine learning research. Semi-supervised learning has emerged as an important paradigm in protein modeling due to the high cost of acquiring supervised protein labels, but the current literature is fragmented when it comes to datasets and standardized evaluation techniques. To facilitate progress in this field, we introduce the Tasks Assessing Protein Embeddings (TAPE), a set of five biologically relevant semi-supervised learning tasks spread across different domains of protein biology. We curate tasks into specific training, validation, and test splits to ensure that each task tests biologically relevant generalization that transfers to real-life scenarios. We benchmark a range of approaches to semi-supervised protein representation learning, which span recent work as well as canonical sequence learning techniques. We find that self-supervised pretraining is helpful for almost all models on all tasks, more than doubling performance in some cases. Despite this increase, in several cases features learned by self-supervised pretraining still lag behind features extracted by state-of-the-art non-neural techniques. This gap in performance suggests a huge opportunity for innovative architecture design and improved modeling paradigms that better capture the signal in biological sequences. TAPE will help the machine learning community focus effort on scientifically relevant problems.