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Impressive results in natural language processing (NLP) based on the Transformer neural network architecture have inspired researchers to explore viewing offline reinforcement learning (RL) as a generic sequence modeling problem. Recent works based on this paradigm have achieved state-of-the-art results in several of the mostly deterministic offline Atari and D4RL benchmarks. However, because these methods jointly model the states and actions as a single sequencing problem, they struggle to disentangle the effects of the policy and world dynamics on the return. Thus, in adversarial or stochastic environments, these methods lead to overly optimistic behavior that can be dangerous in safety-critical systems like autonomous driving. In this work, we propose a method that addresses this optimism bias by explicitly disentangling the policy and world models, which allows us at test time to search for policies that are robust to multiple possible futures in the environment. We demonstrate our method's superior performance on a variety of autonomous driving tasks in simulation.

Direct localization (DLOC) methods, which use the observed data to localize a source at an unknown position in a one-step procedure, generally outperform their indirect two-step counterparts (e.g., using time-difference of arrivals). However, underwater acoustic DLOC methods require prior knowledge of the environment, and are computationally costly, hence slow. We propose, what is to the best of our knowledge, the first data-driven DLOC method. Inspired by classical and contemporary optimal model-based DLOC solutions, and leveraging the capabilities of convolutional neural networks (CNNs), we devise a holistic CNN-based solution. Our method includes a specifically-tailored input structure, architecture, loss function, and a progressive training procedure, which are of independent interest in the broader context of machine learning. We demonstrate that our method outperforms attractive alternatives, and asymptotically matches the performance of an oracle optimal model-based solution.

Human motion trajectory prediction, an essential task for autonomous systems in many domains, has been on the rise in recent years. With a multitude of new methods proposed by different communities, the lack of standardized benchmarks and objective comparisons is increasingly becoming a major limitation to assess progress and guide further research. Existing benchmarks are limited in their scope and flexibility to conduct relevant experiments and to account for contextual cues of agents and environments. In this paper we present Atlas, a benchmark to systematically evaluate human motion trajectory prediction algorithms in a unified framework. Atlas offers data preprocessing functions, hyperparameter optimization, comes with popular datasets and has the flexibility to setup and conduct underexplored yet relevant experiments to analyze a method's accuracy and robustness. In an example application of Atlas, we compare five popular model- and learning-based predictors and find that, when properly applied, early physics-based approaches are still remarkably competitive. Such results confirm the necessity of benchmarks like Atlas.

Tracking position and orientation independently affords more agile maneuver for over-actuated multirotor Unmanned Aerial Vehicles (UAVs) while introducing undesired downwash effects; downwash flows generated by thrust generators may counteract others due to close proximity, which significantly threatens the stability of the platform. The complexity of modeling aerodynamic airflow challenges control algorithms from properly compensating for such a side effect. Leveraging the input redundancies in over-actuated UAVs, we tackle this issue with a novel control allocation framework that considers downwash effects and explores the entire allocation space for an optimal solution. This optimal solution avoids downwash effects while providing high thrust efficiency within the hardware constraints. To the best of our knowledge, ours is the first formal derivation to investigate the downwash effects on over-actuated UAVs. We verify our framework on different hardware configurations in both simulation and experiment.

The adaptive processing of structured data is a long-standing research topic in machine learning that investigates how to automatically learn a mapping from a structured input to outputs of various nature. Recently, there has been an increasing interest in the adaptive processing of graphs, which led to the development of different neural network-based methodologies. In this thesis, we take a different route and develop a Bayesian Deep Learning framework for graph learning. The dissertation begins with a review of the principles over which most of the methods in the field are built, followed by a study on graph classification reproducibility issues. We then proceed to bridge the basic ideas of deep learning for graphs with the Bayesian world, by building our deep architectures in an incremental fashion. This framework allows us to consider graphs with discrete and continuous edge features, producing unsupervised embeddings rich enough to reach the state of the art on several classification tasks. Our approach is also amenable to a Bayesian nonparametric extension that automatizes the choice of almost all model's hyper-parameters. Two real-world applications demonstrate the efficacy of deep learning for graphs. The first concerns the prediction of information-theoretic quantities for molecular simulations with supervised neural models. After that, we exploit our Bayesian models to solve a malware-classification task while being robust to intra-procedural code obfuscation techniques. We conclude the dissertation with an attempt to blend the best of the neural and Bayesian worlds together. The resulting hybrid model is able to predict multimodal distributions conditioned on input graphs, with the consequent ability to model stochasticity and uncertainty better than most works. Overall, we aim to provide a Bayesian perspective into the articulated research field of deep learning for graphs.

As soon as abstract mathematical computations were adapted to computation on digital computers, the problem of efficient representation, manipulation, and communication of the numerical values in those computations arose. Strongly related to the problem of numerical representation is the problem of quantization: in what manner should a set of continuous real-valued numbers be distributed over a fixed discrete set of numbers to minimize the number of bits required and also to maximize the accuracy of the attendant computations? This perennial problem of quantization is particularly relevant whenever memory and/or computational resources are severely restricted, and it has come to the forefront in recent years due to the remarkable performance of Neural Network models in computer vision, natural language processing, and related areas. Moving from floating-point representations to low-precision fixed integer values represented in four bits or less holds the potential to reduce the memory footprint and latency by a factor of 16x; and, in fact, reductions of 4x to 8x are often realized in practice in these applications. Thus, it is not surprising that quantization has emerged recently as an important and very active sub-area of research in the efficient implementation of computations associated with Neural Networks. In this article, we survey approaches to the problem of quantizing the numerical values in deep Neural Network computations, covering the advantages/disadvantages of current methods. With this survey and its organization, we hope to have presented a useful snapshot of the current research in quantization for Neural Networks and to have given an intelligent organization to ease the evaluation of future research in this area.

Existing Collaborative Filtering (CF) methods are mostly designed based on the idea of matching, i.e., by learning user and item embeddings from data using shallow or deep models, they try to capture the associative relevance patterns in data, so that a user embedding can be matched with relevant item embeddings using designed or learned similarity functions. However, as a cognition rather than a perception intelligent task, recommendation requires not only the ability of pattern recognition and matching from data, but also the ability of cognitive reasoning in data. In this paper, we propose to advance Collaborative Filtering (CF) to Collaborative Reasoning (CR), which means that each user knows part of the reasoning space, and they collaborate for reasoning in the space to estimate preferences for each other. Technically, we propose a Neural Collaborative Reasoning (NCR) framework to bridge learning and reasoning. Specifically, we integrate the power of representation learning and logical reasoning, where representations capture similarity patterns in data from perceptual perspectives, and logic facilitates cognitive reasoning for informed decision making. An important challenge, however, is to bridge differentiable neural networks and symbolic reasoning in a shared architecture for optimization and inference. To solve the problem, we propose a modularized reasoning architecture, which learns logical operations such as AND ($\wedge$), OR ($\vee$) and NOT ($\neg$) as neural modules for implication reasoning ($\rightarrow$). In this way, logical expressions can be equivalently organized as neural networks, so that logical reasoning and prediction can be conducted in a continuous space. Experiments on real-world datasets verified the advantages of our framework compared with both shallow, deep and reasoning models.

Spectral clustering (SC) is a popular clustering technique to find strongly connected communities on a graph. SC can be used in Graph Neural Networks (GNNs) to implement pooling operations that aggregate nodes belonging to the same cluster. However, the eigendecomposition of the Laplacian is expensive and, since clustering results are graph-specific, pooling methods based on SC must perform a new optimization for each new sample. In this paper, we propose a graph clustering approach that addresses these limitations of SC. We formulate a continuous relaxation of the normalized minCUT problem and train a GNN to compute cluster assignments that minimize this objective. Our GNN-based implementation is differentiable, does not require to compute the spectral decomposition, and learns a clustering function that can be quickly evaluated on out-of-sample graphs. From the proposed clustering method, we design a graph pooling operator that overcomes some important limitations of state-of-the-art graph pooling techniques and achieves the best performance in several supervised and unsupervised tasks.

Since deep neural networks were developed, they have made huge contributions to everyday lives. Machine learning provides more rational advice than humans are capable of in almost every aspect of daily life. However, despite this achievement, the design and training of neural networks are still challenging and unpredictable procedures. To lower the technical thresholds for common users, automated hyper-parameter optimization (HPO) has become a popular topic in both academic and industrial areas. This paper provides a review of the most essential topics on HPO. The first section introduces the key hyper-parameters related to model training and structure, and discusses their importance and methods to define the value range. Then, the research focuses on major optimization algorithms and their applicability, covering their efficiency and accuracy especially for deep learning networks. This study next reviews major services and toolkits for HPO, comparing their support for state-of-the-art searching algorithms, feasibility with major deep learning frameworks, and extensibility for new modules designed by users. The paper concludes with problems that exist when HPO is applied to deep learning, a comparison between optimization algorithms, and prominent approaches for model evaluation with limited computational resources.

User engagement is a critical metric for evaluating the quality of open-domain dialogue systems. Prior work has focused on conversation-level engagement by using heuristically constructed features such as the number of turns and the total time of the conversation. In this paper, we investigate the possibility and efficacy of estimating utterance-level engagement and define a novel metric, {\em predictive engagement}, for automatic evaluation of open-domain dialogue systems. Our experiments demonstrate that (1) human annotators have high agreement on assessing utterance-level engagement scores; (2) conversation-level engagement scores can be predicted from properly aggregated utterance-level engagement scores. Furthermore, we show that the utterance-level engagement scores can be learned from data. These scores can improve automatic evaluation metrics for open-domain dialogue systems, as shown by correlation with human judgements. This suggests that predictive engagement can be used as a real-time feedback for training better dialogue models.