Currently, next location recommendation plays a vital role in location-based social network applications and services. Although many methods have been proposed to solve this problem, three important challenges have not been well addressed so far: (1) most existing methods are based on recurrent network, which is time-consuming to train long sequences due to not allowing for full parallelism; (2) personalized preferences generally are not considered reasonably; (3) existing methods rarely systematically studied how to efficiently utilize various auxiliary information (e.g., user ID and timestamp) in trajectory data and the spatio-temporal relations among non-consecutive locations. To address the above challenges, we propose a novel method named SanMove, a self-attention network based model, to predict the next location via capturing the long- and short-term mobility patterns of users. Specifically, SanMove introduces a long-term preference learning module, and it uses a self-attention module to capture the users long-term mobility pattern which can represent personalized location preferences of users. Meanwhile, SanMove uses a spatial-temporal guided non-invasive self-attention (STNOVA) to exploit auxiliary information to learn short-term preferences. We evaluate SanMove with two real-world datasets, and demonstrate SanMove is not only faster than the state-of-the-art RNN-based predict model but also outperforms the baselines for next location prediction.

Deep reinforcement learning (Deep RL) has recently seen significant progress in developing algorithms for generalization. However, most algorithms target a single type of generalization setting. In this work, we study generalization across three disparate task structures: (a) tasks composed of spatial and temporal compositions of regularly occurring object motions; (b) tasks composed of active perception of and navigation towards regularly occurring 3D objects; and (c) tasks composed of remembering goal-information over sequences of regularly occurring object-configurations. These diverse task structures all share an underlying idea of compositionality: task completion always involves combining recurring segments of task-oriented perception and behavior. We hypothesize that an agent can generalize within a task structure if it can discover representations that capture these recurring task-segments. For our tasks, this corresponds to representations for recognizing individual object motions, for navigation towards 3D objects, and for navigating through object-configurations. Taking inspiration from cognitive science, we term representations for recurring segments of an agent's experience, "perceptual schemas". We propose Feature Attending Recurrent Modules (FARM), which learns a state representation where perceptual schemas are distributed across multiple, relatively small recurrent modules. We compare FARM to recurrent architectures that leverage spatial attention, which reduces observation features to a weighted average over spatial positions. Our experiments indicate that our feature-attention mechanism better enables FARM to generalize across the diverse object-centric domains we study.

A major impediment to successful drug development is the complexity, cost, and scale of clinical trials. The detailed internal structure of clinical trial data can make conventional optimization difficult to achieve. Recent advances in machine learning, specifically graph-structured data analysis, have the potential to enable significant progress in improving the clinical trial design. TrialGraph seeks to apply these methodologies to produce a proof-of-concept framework for developing models which can aid drug development and benefit patients. In this work, we first introduce a curated clinical trial data set compiled from the CT.gov, AACT and TrialTrove databases (n=1191 trials; representing one million patients) and describe the conversion of this data to graph-structured formats. We then detail the mathematical basis and implementation of a selection of graph machine learning algorithms, which typically use standard machine classifiers on graph data embedded in a low-dimensional feature space. We trained these models to predict side effect information for a clinical trial given information on the disease, existing medical conditions, and treatment. The MetaPath2Vec algorithm performed exceptionally well, with standard Logistic Regression, Decision Tree, Random Forest, Support Vector, and Neural Network classifiers exhibiting typical ROC-AUC scores of 0.85, 0.68, 0.86, 0.80, and 0.77, respectively. Remarkably, the best performing classifiers could only produce typical ROC-AUC scores of 0.70 when trained on equivalent array-structured data. Our work demonstrates that graph modelling can significantly improve prediction accuracy on appropriate datasets. Successive versions of the project that refine modelling assumptions and incorporate more data types can produce excellent predictors with real-world applications in drug development.

While generative adversarial networks (GAN) are popular for their higher sample quality as opposed to other generative models like the variational autoencoders (VAE) and Boltzmann machines, they suffer from the same difficulty of the evaluation of generated samples. Various aspects must be kept in mind, such as the quality of generated samples, the diversity of classes (within a class and among classes), the use of disentangled latent spaces, agreement of said evaluation metric with human perception, etc. In this paper, we propose a new score, namely, GM Score, which takes into various factors such as sample quality, disentangled representation, intra-class and inter-class diversity, and other metrics such as precision, recall, and F1 score are employed for discriminability of latent space of deep belief network (DBN) and restricted Boltzmann machine (RBM). The evaluation is done for different GANs (GAN, DCGAN, BiGAN, CGAN, CoupledGAN, LSGAN, SGAN, WGAN, and WGAN Improved) trained on the benchmark MNIST dataset.

The technologies used in smart homes have recently improved to learn the user preferences from feedback in order to enhance the user convenience and quality of experience. Most smart homes learn a uniform model to represent the thermal preferences of users, which generally fails when the pool of occupants includes people with different sensitivities to temperature, for instance due to age and physiological factors. Thus, a smart home with a single optimal policy may fail to provide comfort when a new user with a different preference is integrated into the home. In this paper, we propose a Bayesian Reinforcement learning framework that can approximate the current occupant state in a partially observable smart home environment using its thermal preference, and then identify the occupant as a new user or someone is already known to the system. Our proposed framework can be used to identify users based on the temperature and humidity preferences of the occupant when performing different activities to enable personalization and improve comfort. We then compare the proposed framework with a baseline long short-term memory learner that learns the thermal preference of the user from the sequence of actions which it takes. We perform these experiments with up to 5 simulated human models each based on hierarchical reinforcement learning. The results show that our framework can approximate the belief state of the current user just by its temperature and humidity preferences across different activities with a high degree of accuracy.

Contrastive learning has become a key component of self-supervised learning approaches for graph-structured data. However, despite their success, existing graph contrastive learning methods are incapable of uncertainty quantification for node representations or their downstream tasks, limiting their application in high-stakes domains. In this paper, we propose a novel Bayesian perspective of graph contrastive learning methods showing random augmentations leads to stochastic encoders. As a result, our proposed method represents each node by a distribution in the latent space in contrast to existing techniques which embed each node to a deterministic vector. By learning distributional representations, we provide uncertainty estimates in downstream graph analytics tasks and increase the expressive power of the predictive model. In addition, we propose a Bayesian framework to infer the probability of perturbations in each view of the contrastive model, eliminating the need for a computationally expensive search for hyperparameter tuning. We empirically show a considerable improvement in performance compared to existing state-of-the-art methods on several benchmark datasets.

In the modern age of social media and networks, graph representations of real-world phenomena have become an incredibly useful source to mine insights. Often, we are interested in understanding how entities in a graph are interconnected. The Graph Neural Network (GNN) has proven to be a very useful tool in a variety of graph learning tasks including node classification, link prediction, and edge classification. However, in most of these tasks, the graph data we are working with may be noisy and may contain spurious edges. That is, there is a lot of uncertainty associated with the underlying graph structure. Recent approaches to modeling uncertainty have been to use a Bayesian framework and view the graph as a random variable with probabilities associated with model parameters. Introducing the Bayesian paradigm to graph-based models, specifically for semi-supervised node classification, has been shown to yield higher classification accuracies. However, the method of graph inference proposed in recent work does not take into account the structure of the graph. In this paper, we propose a novel algorithm called Bayesian Graph Convolutional Network using Neighborhood Random Walk Sampling (BGCN-NRWS), which uses a Markov Chain Monte Carlo (MCMC) based graph sampling algorithm utilizing graph structure, reduces overfitting by using a variational inference layer, and yields consistently competitive classification results compared to the state-of-the-art in semi-supervised node classification.

Artificial intelligence (AI) enables machines to learn from human experience, adjust to new inputs, and perform human-like tasks. AI is progressing rapidly and is transforming the way businesses operate, from process automation to cognitive augmentation of tasks and intelligent process/data analytics. However, the main challenge for human users would be to understand and appropriately trust the result of AI algorithms and methods. In this paper, to address this challenge, we study and analyze the recent work done in Explainable Artificial Intelligence (XAI) methods and tools. We introduce a novel XAI process, which facilitates producing explainable models while maintaining a high level of learning performance. We present an interactive evidence-based approach to assist human users in comprehending and trusting the results and output created by AI-enabled algorithms. We adopt a typical scenario in the Banking domain for analyzing customer transactions. We develop a digital dashboard to facilitate interacting with the algorithm results and discuss how the proposed XAI method can significantly improve the confidence of data scientists in understanding the result of AI-enabled algorithms.

Recently, generalization bounds of the non-convex empirical risk minimization paradigm using Stochastic Gradient Langevin Dynamics (SGLD) have been extensively studied. Several theoretical frameworks have been presented to study this problem from different perspectives, such as information theory and stability. In this paper, we present a unified view from privacy leakage analysis to investigate the generalization bounds of SGLD, along with a theoretical framework for re-deriving previous results in a succinct manner. Aside from theoretical findings, we conduct various numerical studies to empirically assess the information leakage issue of SGLD. Additionally, our theoretical and empirical results provide explanations for prior works that study the membership privacy of SGLD.

We consider the task of building strong but human-like policies in multi-agent decision-making problems, given examples of human behavior. Imitation learning is effective at predicting human actions but may not match the strength of expert humans, while self-play learning and search techniques (e.g. AlphaZero) lead to strong performance but may produce policies that are difficult for humans to understand and coordinate with. We show in chess and Go that regularizing search policies based on the KL divergence from an imitation-learned policy by applying Monte Carlo tree search produces policies that have higher human prediction accuracy and are stronger than the imitation policy. We then introduce a novel regret minimization algorithm that is regularized based on the KL divergence from an imitation-learned policy, and show that applying this algorithm to no-press Diplomacy yields a policy that maintains the same human prediction accuracy as imitation learning while being substantially stronger.