The logic of hybrid MKNF (minimal knowledge and negation as failure) is a powerful knowledge representation language that elegantly pairs ASP (answer set programming) with ontologies. Disjunctive rules are a desirable extension to normal rule-based reasoning and typically semantic frameworks designed for normal knowledge bases need substantial restructuring to support disjunctive rules. Alternatively, one may lift characterizations of normal rules to support disjunctive rules by inducing a collection of normal knowledge bases, each with the same body and a single atom in its head. In this work, we refer to a set of such normal knowledge bases as a head-cut of a disjunctive knowledge base. The question arises as to whether the semantics of disjunctive hybrid MKNF knowledge bases can be characterized using fixpoint constructions with head-cuts. Earlier, we have shown that head-cuts can be paired with fixpoint operators to capture the two-valued MKNF models of disjunctive hybrid MKNF knowledge bases. Three-valued semantics extends two-valued semantics with the ability to express partial information. In this work, we present a fixpoint construction that leverages head-cuts using an operator that iteratively captures three-valued models of hybrid MKNF knowledge bases with disjunctive rules. This characterization also captures partial stable models of disjunctive logic programs since a program can be expressed as a disjunctive hybrid MKNF knowledge base with an empty ontology. We elaborate on a relationship between this characterization and approximators in AFT (approximation fixpoint theory) for normal hybrid MKNF knowledge bases.

Estimating the importance of variables is an essential task in modern machine learning. This help to evaluate the goodness of a feature in a given model. Several techniques for estimating the importance of variables have been developed during the last decade. In this paper, we proposed a computational and theoretical exploration of the emerging methods of variable importance estimation, namely: Least Absolute Shrinkage and Selection Operator (LASSO), Support Vector Machine (SVM), the Predictive Error Function (PERF), Random Forest (RF), and Extreme Gradient Boosting (XGBOOST) that were tested on different kinds of real-life and simulated data. All these methods can handle both regression and classification tasks seamlessly but all fail when it comes to dealing with data containing missing values. The implementation has shown that PERF has the best performance in the case of highly correlated data closely followed by RF. PERF and XGBOOST are "data-hungry" methods, they had the worst performance on small data sizes but they are the fastest when it comes to the execution time. SVM is the most appropriate when many redundant features are in the dataset. A surplus with the PERF is its natural cut-off at zero helping to separate positive and negative scores with all positive scores indicating essential and significant features while the negatives score indicates useless features. RF and LASSO are very versatile in a way that they can be used in almost all situations despite they are not giving the best results.

Building robust deterministic neural networks remains a challenge. On the one hand, some approaches improve out-of-distribution detection at the cost of reducing classification accuracy in some situations. On the other hand, some methods simultaneously increase classification accuracy, uncertainty estimation, and out-of-distribution detection at the expense of reducing the inference efficiency. In this paper, we propose training deterministic neural networks using our DisMax loss, which works as a drop-in replacement for the usual SoftMax loss (i.e., the combination of the linear output layer, the SoftMax activation, and the cross-entropy loss). Starting from the IsoMax+ loss, we create each logit based on the distances to all prototypes, rather than just the one associated with the correct class. We also introduce a mechanism to combine images to construct what we call fractional probability regularization. Moreover, we present a fast way to calibrate the network after training. Finally, we propose a composite score to perform out-of-distribution detection. Our experiments show that DisMax usually outperforms current approaches simultaneously in classification accuracy, uncertainty estimation, and out-of-distribution detection while maintaining deterministic neural network inference efficiency. The code to reproduce the results is available at https://github.com/dlmacedo/distinction-maximization-loss.

Professor Kyunghyun Cho (Computer Science - Courant and Center for Data Science) is one of five recipients of the Inaugural Samsung AI Researcher of the Year Award. Professor Cho is donating the $30,000 prize money to MILA, an AI research institute in Quebec, for the support of incoming female students from Latin America, Africa, South Asia, South East Asia, and Korea. (November, 2020)

Reservoir simulations for petroleum fields and seismic imaging are known as the most demanding workloads for high-performance computing (HPC) in the oil and gas (O&G) industry. The optimization of the simulator numerical parameters plays a vital role as it could save considerable computational efforts. State-of-the-art optimization techniques are based on running numerous simulations, specific for that purpose, to find good parameter candidates. However, using such an approach is highly costly in terms of time and computing resources. This work presents TunaOil, a new methodology to enhance the search for optimal numerical parameters of reservoir flow simulations using a performance model. In the O&G industry, it is common to use ensembles of models in different workflows to reduce the uncertainty associated with forecasting O&G production. We leverage the runs of those ensembles in such workflows to extract information from each simulation and optimize the numerical parameters in their subsequent runs. To validate the methodology, we implemented it in a history matching (HM) process that uses a Kalman filter algorithm to adjust an ensemble of reservoir models to match the observed data from the real field. We mine past execution logs from many simulations with different numerical configurations and build a machine learning model based on extracted features from the data. These features include properties of the reservoir models themselves, such as the number of active cells, to statistics of the simulation's behavior, such as the number of iterations of the linear solver. A sampling technique is used to query the oracle to find the numerical parameters that can reduce the elapsed time without significantly impacting the quality of the results. Our experiments show that the predictions can improve the overall HM workflow runtime on average by 31%.

Density estimation is a fundamental task in statistics and machine learning applications. Kernel density estimation is a powerful tool for non-parametric density estimation in low dimensions; however, its performance is poor in higher dimensions. Moreover, its prediction complexity scale linearly with more training data points. This paper presents a method for neural density estimation that can be seen as a type of kernel density estimation, but without the high prediction computational complexity. The method is based on density matrices, a formalism used in quantum mechanics, and adaptive Fourier features. The method can be trained without optimization, but it could be also integrated with deep learning architectures and trained using gradient descent. Thus, it could be seen as a form of neural density estimation method. The method was evaluated in different synthetic and real datasets, and its performance compared against state-of-the-art neural density estimation methods, obtaining competitive results.

Recently has seen the growth in the use of mobile health (mHealth) information services, which have rich guides on improving physical activity. These rich guides evolved from the consideration of various personal behavioural factors, which often deviate from the user's health conditions. The behavioural factors include changing fitness preferences, adherence issues, and uncertainty about future fitness outcomes, which may all lead to a decline in the quality of the mHealth information services. Many of these mHealth information services provide limited fitness guidance owing to the dynamics of the user's health conditions. This paper seeks an adaptive method using deep reinforcement learning to make personalised physical activity recommendations, which is learnt from retrospective physical activity data and can simulate realistic behaviour trajectories. We construct a real-time interaction model for the mHealth information service system based on scientific knowledge about physical activity to evaluate its exercise performance. The physical activity performance evaluation model is used to find the optimal exercise intensity considering the fitness and fatigue effects to avoid the lack of exercise or overload. The short-term activity plans are made using deep reinforcement learning and personal health conditions that change over time. Using this method, we can dynamically update the physical activity recommendation policy in accordance with the real implementation behaviour. Our DRL-based recommender policy was validated by comparison to other benchmark policies. Experimental results show that this adaptive learning algorithm can improve recommendation performance over 4.13 percent.

Anomaly detection (AD), separating anomalies from normal data, has many applications across domains, from security to healthcare. While most previous works were shown to be effective for cases with fully or partially labeled data, that setting is in practice less common due to labeling being particularly tedious for this task. In this paper, we focus on fully unsupervised AD, in which the entire training dataset, containing both normal and anomalous samples, is unlabeled. To tackle this problem effectively, we propose to improve the robustness of one-class classification trained on self-supervised representations using a data refinement process. Our proposed data refinement approach is based on an ensemble of one-class classifiers (OCCs), each of which is trained on a disjoint subset of training data. Representations learned by self-supervised learning on the refined data are iteratively updated as the data refinement improves. We demonstrate our method on various unsupervised AD tasks with image and tabular data. With a 10% anomaly ratio on CIFAR-10 image data / 2.5% anomaly ratio on Thyroid tabular data, the proposed method outperforms the state-of-the-art one-class classifier by 6.3 AUC and 12.5 average precision / 22.9 F1-score.

This paper focuses on online kernel learning over a decentralized network. Each agent in the network receives continuous streaming data locally and works collaboratively to learn a nonlinear prediction function that is globally optimal in the reproducing kernel Hilbert space with respect to the total instantaneous costs of all agents. In order to circumvent the curse of dimensionality issue in traditional online kernel learning, we utilize random feature (RF) mapping to convert the non-parametric kernel learning problem into a fixed-length parametric one in the RF space. We then propose a novel learning framework named Online Decentralized Kernel learning via Linearized ADMM (ODKLA) to efficiently solve the online decentralized kernel learning problem. To further improve the communication efficiency, we add the quantization and censoring strategies in the communication stage and develop the Quantized and Communication-censored ODKLA (QC-ODKLA) algorithm. We theoretically prove that both ODKLA and QC-ODKLA can achieve the optimal sublinear regret $\mathcal{O}(\sqrt{T})$ over $T$ time slots. Through numerical experiments, we evaluate the learning effectiveness, communication, and computation efficiencies of the proposed methods.

Kernel density estimation (KDE) is one of the most widely used nonparametric density estimation methods. The fact that it is a memory-based method, i.e., it uses the entire training data set for prediction, makes it unsuitable for most current big data applications. Several strategies, such as tree-based or hashing-based estimators, have been proposed to improve the efficiency of the kernel density estimation method. The novel density kernel density estimation method (DMKDE) uses density matrices, a quantum mechanical formalism, and random Fourier features, an explicit kernel approximation, to produce density estimates. This method has its roots in the KDE and can be considered as an approximation method, without its memory-based restriction. In this paper, we systematically evaluate the novel DMKDE algorithm and compare it with other state-of-the-art fast procedures for approximating the kernel density estimation method on different synthetic data sets. Our experimental results show that DMKDE is on par with its competitors for computing density estimates and advantages are shown when performed on high-dimensional data. We have made all the code available as an open source software repository.