We introduce a self-supervised approach for learning node and graph level representations by contrasting structural views of graphs. We show that unlike visual representation learning, increasing the number of views to more than two or contrasting multi-scale encodings do not improve performance, and the best performance is achieved by contrasting encodings from first-order neighbors and a graph diffusion. We achieve new state-of-the-art results in self-supervised learning on 8 out of 8 node and graph classification benchmarks under the linear evaluation protocol. For example, on Cora (node) and Reddit-Binary (graph) classification benchmarks, we achieve 86.8% and 84.5% accuracy, which are 5.5% and 2.4% relative improvements over previous state-of-the-art. When compared to supervised baselines, our approach outperforms them in 4 out of 8 benchmarks. Source code is released at: https://github.com/kavehhassani/mvgrl

We present a unified view of three different problems; rank reduction of matrices, matrix balancing, and mean-field approximation, using information geometry. Our key idea is to treat each matrix as a probability distribution represented by a loglinear model on a partially ordered set (poset), which enables us to formulate rank reduction and balancing of a matrix as projection onto a statistical submanifold, which corresponds to the set of low-rank matrices or that of balanced matrices. Moreover, the process of rank-1 reduction coincides with the mean-field approximation in the sense that the expectation parameters can be decomposed into products, where the mean-field equation holds. Our observation leads to a new convex optimization formulation of rank reduction, which applies to any nonnegative matrices, while the Nystr\"om method, one of the most popular rank reduction methods, is applicable to only kernel positive semidefinite matrices. We empirically show that our rank reduction method achieves better approximation of matrices produced by real-world data compared to Nystrom method.

We propose deep Reinforcement Learning (RL) algorithms inspired by mirror descent, a well-known first-order trust region optimization method for solving constrained convex problems. Our approach, which we call as Mirror Descent Policy Optimization (MDPO), is based on the idea of iteratively solving a `trust-region' problem that minimizes a sum of two terms: a linearization of the objective function and a proximity term that restricts two consecutive updates to be close to each other. Following this approach we derive on-policy and off-policy variants of the MDPO algorithm and analyze their performance while emphasizing important implementation details, motivated by the existing theoretical framework. We highlight the connections between on-policy MDPO and two popular trust region RL algorithms: TRPO and PPO, and conduct a comprehensive empirical comparison of these algorithms. We then derive off-policy MDPO and compare its performance to existing approaches. Importantly, we show that the theoretical framework of MDPO can be scaled to deep RL while achieving good performance on popular benchmarks.

The challenge of learning a new concept, object, or a new medical disease recognition without receiving any examples beforehand is called Zero-Shot Learning (ZSL). One of the major issues in deep learning based methodologies such as in Medical Imaging, Autonomous Systems and other real-world applications is the requirement of feeding a large annotated and labelled datasets, prepared by an expert human to train the network model. ZSL is known for having minimal human intervention by mainly relying only on previously known concepts and current auxiliary information. This is an ever-growing research for the cases where we have very limited or no datasets available and at the same time, the detection/recognition system has human-like characteristics in learning new concepts. Therefore, it makes it applicable in real-world scenarios, from developing autonomous vehicles to medical imaging and COVID-19 Chest X-Ray (CXR) based diagnosis. In this review paper, we present the definition of the problem, we review over fundamentals, and the challenging steps of Zero-Shot Learning, including state-of-the-art categories of solutions as well as our recommended solution, motivations behind each approach, and their advantages over each category to guide the researchers to proceed with the best techniques and practices based on their applications. Inspired from different settings and extensions, we introduce a novel and broaden solution called one/few-shot learning. We then review through different image datasets inducing medical and non-medical images, the variety of splits, and the evaluation protocols proposed so far. Finally, we discuss the recent applications and future directions of ZSL. We aim to convey a useful intuition through this paper towards the goal of handling complex computer vision learning tasks more similar to the way humans learn.

Loss-based clustering methods, such as k-means and its variants, are standard tools for finding groups in data. However, the lack of quantification of uncertainty in the estimated clusters is a disadvantage. Model-based clustering based on mixture models provides an alternative, but such methods face computational problems and large sensitivity to the choice of kernel. This article proposes a generalized Bayes framework that bridges between these two paradigms through the use of Gibbs posteriors. In conducting Bayesian updating, the log likelihood is replaced by a loss function for clustering, leading to a rich family of clustering methods. The Gibbs posterior represents a coherent updating of Bayesian beliefs without needing to specify a likelihood for the data, and can be used for characterizing uncertainty in clustering. We consider losses based on Bregman divergence and pairwise similarities, and develop efficient deterministic algorithms for point estimation along with sampling algorithms for uncertainty quantification. Several existing clustering algorithms, including k-means, can be interpreted as generalized Bayes estimators under our framework, and hence we provide a method of uncertainty quantification for these approaches.

Policy learning using historical observational data is an important problem that has found widespread applications. Examples include selecting offers, prices, advertisements to send to customers, as well as selecting which medication to prescribe to a patient. However, existing literature rests on the crucial assumption that the future environment where the learned policy will be deployed is the same as the past environment that has generated the data--an assumption that is often false or too coarse an approximation. In this paper, we lift this assumption and aim to learn a distributional robust policy with incomplete (bandit) observational data. We propose a novel learning algorithm that is able to learn a robust policy to adversarial perturbations and unknown covariate shifts. We first present a policy evaluation procedure in the ambiguous environment and then give a performance guarantee based on the theory of uniform convergence. Additionally, we also give a heuristic algorithm to solve the distributional robust policy learning problems efficiently.

Predicting which action (treatment) will lead to a better outcome is a central task in decision support systems. To build a prediction model in real situations, learning from biased observational data is a critical issue due to the lack of randomized controlled trial (RCT) data. To handle such biased observational data, recent efforts in causal inference and counterfactual machine learning have focused on debiased estimation of the potential outcomes on a binary action space and the difference between them, namely, the individual treatment effect. When it comes to a large action space (e.g., selecting an appropriate combination of medicines for a patient), however, the regression accuracy of the potential outcomes is no longer sufficient in practical terms to achieve a good decision-making performance. This is because the mean accuracy on the large action space does not guarantee the nonexistence of a single potential outcome misestimation that might mislead the whole decision. Our proposed loss minimizes a classification error of whether or not the action is relatively good for the individual target among all feasible actions, which further improves the decision-making performance, as we prove. We also propose a network architecture and a regularizer that extracts a debiased representation not only from the individual feature but also from the biased action for better generalization in large action spaces. Extensive experiments on synthetic and semi-synthetic datasets demonstrate the superiority of our method for large combinatorial action spaces.

We survey in this article the connections between Machine Learning and Control Theory. Control Theory provide useful concepts and tools for Machine Learning. Conversely Machine Learning can be used to solve large control problems. In the first part of the paper, we develop the connections between reinforcement learning and Markov Decision Processes, which are discrete time control problems. In the second part, we review the concept of supervised learning and the relation with static optimization. Deep learning which extends supervised learning, can be viewed as a control problem. In the third part, we present the links between stochastic gradient descent and mean-field theory. Conversely, in the fourth and fifth parts, we review machine learning approaches to stochastic control problems, and focus on the deterministic case, to explain, more easily, the numerical algorithms.

In order to help physicists to expand their knowledge of the climate in the Lesser Antilles, we aim to identify the spatio-temporal configurations using clustering analysis on wind speed and cumulative rainfall datasets. But we show that using the L2 norm in conventional clustering methods as K-Means (KMS) and Hierarchical Agglomerative Clustering (HAC) can induce undesirable effects. So, we propose to replace Euclidean distance (L2) by a dissimilarity measure named Expert Deviation (ED). Based on the symmetrized Kullback-Leibler divergence, the ED integrates the properties of the observed physical parameters and climate knowledge. This measure helps comparing histograms of four patches, corresponding to geographical zones, that are influenced by atmospheric structures. The combined evaluation of the internal homogeneity and the separation of the clusters obtained using ED and L2 was performed. The results, which are compared using the silhouette index, show five clusters with high indexes. For the two available datasets one can see that, unlike KMS-L2, KMS-ED discriminates the daily situations favorably, giving more physical meaning to the clusters discovered by the algorithm. The effect of patches is observed in the spatial analysis of representative elements for KMS-ED. The ED is able to produce different configurations which makes the usual atmospheric structures clearly identifiable. Atmospheric physicists can interpret the locations of the impact of each cluster on a specific zone according to atmospheric structures. KMS-L2 does not lead to such an interpretability, because the situations represented are spatially quite smooth. This climatological study illustrates the advantage of using ED as a new approach.

Early recognition of clinical deterioration is one of the main steps for reducing inpatient morbidity and mortality. The challenging task of clinical deterioration identification in hospitals lies in the intense daily routines of healthcare practitioners, in the unconnected patient data stored in the Electronic Health Records (EHRs) and in the usage of low accuracy scores. Since hospital wards are given less attention compared to the Intensive Care Unit, ICU, we hypothesized that when a platform is connected to a stream of EHR, there would be a drastic improvement in dangerous situations awareness and could thus assist the healthcare team. With the application of machine learning, the system is capable to consider all patient's history and through the use of high-performing predictive models, an intelligent early warning system is enabled. In this work we used 121,089 medical encounters from six different hospitals and 7,540,389 data points, and we compared popular ward protocols with six different scalable machine learning methods (three are classic machine learning models, logistic and probabilistic-based models, and three gradient boosted models). The results showed an advantage in AUC (Area Under the Receiver Operating Characteristic Curve) of 25 percentage points in the best Machine Learning model result compared to the current state-of-the-art protocols. This is shown by the generalization of the algorithm with leave-one-group-out (AUC of 0.949) and the robustness through cross-validation (AUC of 0.961). We also perform experiments to compare several window sizes to justify the use of five patient timestamps. A sample dataset, experiments, and code are available for replicability purposes.