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This paper proposes a novel multivariate definition of statistical dependence using a functional methodology inspired by Alfred R\'enyi. We define a new symmetric and self-adjoint cross density kernel through a recursive bidirectional statistical mapping between conditional densities of continuous random processes, which estimates their statistical dependence. Therefore, the kernel eigenspectrum is proposed as a new multivariate statistical dependence measure, and the formulation requires fewer assumptions about the data generation model than current methods. The measure can also be estimated from realizations. The proposed functional maximum correlation algorithm (FMCA) is applied to a learning architecture with two multivariate neural networks. The FMCA optimal solution is an equilibrium point that estimates the eigenspectrum of the cross density kernel. Preliminary results with synthetic data and medium size image datasets corroborate the theory. Four different strategies of applying the cross density kernel are thoroughly discussed and implemented to show the versatility and stability of the methodology, and it transcends supervised learning. When two random processes are high-dimensional real-world images and white uniform noise, respectively, the algorithm learns a factorial code i.e., the occurrence of a code guarantees that a certain input in the training set was present, which is quite important for feature learning.

Integrated information theory (IIT) is a theoretical framework that provides a quantitative measure to estimate when a physical system is conscious, its degree of consciousness, and the complexity of the qualia space that the system is experiencing. Formally, IIT rests on the assumption that if a surrogate physical system can fully embed the phenomenological properties of consciousness, then the system properties must be constrained by the properties of the qualia being experienced. Following this assumption, IIT represents the physical system as a network of interconnected elements that can be thought of as a probabilistic causal graph, $\mathcal{G}$, where each node has an input-output function and all the graph is encoded in a transition probability matrix. Consequently, IIT's quantitative measure of consciousness, $\Phi$, is computed with respect to the transition probability matrix and the present state of the graph. In this paper, we provide a random search algorithm that is able to optimize $\Phi$ in order to investigate, as the number of nodes increases, the structure of the graphs that have higher $\Phi$. We also provide arguments that show the difficulties of applying more complex black-box search algorithms, such as Bayesian optimization or metaheuristics, in this particular problem. Additionally, we suggest specific research lines for these techniques to enhance the search algorithm that guarantees maximal $\Phi$.

Graph Pattern Mining (GPM) is an important, rapidly evolving, and computation demanding area. GPM computation relies on subgraph enumeration, which consists in extracting subgraphs that match a given property from an input graph. Graphics Processing Units (GPUs) have been an effective platform to accelerate applications in many areas. However, the irregularity of subgraph enumeration makes it challenging for efficient execution on GPU due to typical uncoalesced memory access, divergence, and load imbalance. Unfortunately, these aspects have not been fully addressed in previous work. Thus, this work proposes novel strategies to design and implement subgraph enumeration efficiently on GPU. We support a depth-first search style search (DFS-wide) that maximizes memory performance while providing enough parallelism to be exploited by the GPU, along with a warp-centric design that minimizes execution divergence and improves utilization of the computing capabilities. We also propose a low-cost load balancing layer to avoid idleness and redistribute work among thread warps in a GPU. Our strategies have been deployed in a system named DuMato, which provides a simple programming interface to allow efficient implementation of GPM algorithms. Our evaluation has shown that DuMato is often an order of magnitude faster than state-of-the-art GPM systems and can mine larger subgraphs (up to 12 vertices).

Deep neural network (DNN) classifiers are often overconfident, producing miscalibrated class probabilities. In high-risk applications like healthcare, practitioners require $\textit{fully calibrated}$ probability predictions for decision-making. That is, conditioned on the prediction $\textit{vector}$, $\textit{every}$ class' probability should be close to the predicted value. Most existing calibration methods either lack theoretical guarantees for producing calibrated outputs, reduce classification accuracy in the process, or only calibrate the predicted class. This paper proposes a new Kernel-based calibration method called KCal. Unlike existing calibration procedures, KCal does not operate directly on the logits or softmax outputs of the DNN. Instead, KCal learns a metric space on the penultimate-layer latent embedding and generates predictions using kernel density estimates on a calibration set. We first analyze KCal theoretically, showing that it enjoys a provable $\textit{full}$ calibration guarantee. Then, through extensive experiments across a variety of datasets, we show that KCal consistently outperforms baselines as measured by the calibration error and by proper scoring rules like the Brier Score.

Magnetic resonance imaging serves as an essential tool for clinical diagnosis. However, it suffers from a long acquisition time. The utilization of deep learning, especially the deep generative models, offers aggressive acceleration and better reconstruction in magnetic resonance imaging. Nevertheless, learning the data distribution as prior knowledge and reconstructing the image from limited data remains challenging. In this work, we propose a novel Hankel-k-space generative model (HKGM), which can generate samples from a training set of as little as one k-space data. At the prior learning stage, we first construct a large Hankel matrix from k-space data, then extract multiple structured k-space patches from the large Hankel matrix to capture the internal distribution among different patches. Extracting patches from a Hankel matrix enables the generative model to be learned from redundant and low-rank data space. At the iterative reconstruction stage, it is observed that the desired solution obeys the learned prior knowledge. The intermediate reconstruction solution is updated by taking it as the input of the generative model. The updated result is then alternatively operated by imposing low-rank penalty on its Hankel matrix and data consistency con-strain on the measurement data. Experimental results confirmed that the internal statistics of patches within a single k-space data carry enough information for learning a powerful generative model and provide state-of-the-art reconstruction.

The application of autonomous UAVs to infrastructure inspection tasks provides benefits in terms of operation time reduction, safety, and cost-effectiveness. This paper presents trajectory planning for three-dimensional autonomous multi-UAV volume coverage and visual inspection of infrastructure based on the Heat Equation Driven Area Coverage (HEDAC) algorithm. The method generates trajectories using a potential field and implements distance fields to prevent collisions and to determine UAVs' camera orientation. It successfully achieves coverage during the visual inspection of complex structures such as a wind turbine and a bridge, outperforming a state-of-the-art method by allowing more surface area to be inspected under the same conditions. The presented trajectory planning method offers flexibility in various setup parameters and is applicable to real-world inspection tasks. Conclusively, the proposed methodology could potentially be applied to different autonomous UAV tasks, or even utilized as a UAV motion control method if its computational efficiency is improved.

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.

Visual recognition is currently one of the most important and active research areas in computer vision, pattern recognition, and even the general field of artificial intelligence. It has great fundamental importance and strong industrial needs. Deep neural networks (DNNs) have largely boosted their performances on many concrete tasks, with the help of large amounts of training data and new powerful computation resources. Though recognition accuracy is usually the first concern for new progresses, efficiency is actually rather important and sometimes critical for both academic research and industrial applications. Moreover, insightful views on the opportunities and challenges of efficiency are also highly required for the entire community. While general surveys on the efficiency issue of DNNs have been done from various perspectives, as far as we are aware, scarcely any of them focused on visual recognition systematically, and thus it is unclear which progresses are applicable to it and what else should be concerned. In this paper, we present the review of the recent advances with our suggestions on the new possible directions towards improving the efficiency of DNN-related visual recognition approaches. We investigate not only from the model but also the data point of view (which is not the case in existing surveys), and focus on three most studied data types (images, videos and points). This paper attempts to provide a systematic summary via a comprehensive survey which can serve as a valuable reference and inspire both researchers and practitioners who work on visual recognition problems.

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.

The Q-learning algorithm is known to be affected by the maximization bias, i.e. the systematic overestimation of action values, an important issue that has recently received renewed attention. Double Q-learning has been proposed as an efficient algorithm to mitigate this bias. However, this comes at the price of an underestimation of action values, in addition to increased memory requirements and a slower convergence. In this paper, we introduce a new way to address the maximization bias in the form of a "self-correcting algorithm" for approximating the maximum of an expected value. Our method balances the overestimation of the single estimator used in conventional Q-learning and the underestimation of the double estimator used in Double Q-learning. Applying this strategy to Q-learning results in Self-correcting Q-learning. We show theoretically that this new algorithm enjoys the same convergence guarantees as Q-learning while being more accurate. Empirically, it performs better than Double Q-learning in domains with rewards of high variance, and it even attains faster convergence than Q-learning in domains with rewards of zero or low variance. These advantages transfer to a Deep Q Network implementation that we call Self-correcting DQN and which outperforms regular DQN and Double DQN on several tasks in the Atari 2600 domain.