A common belief in designing deep autoencoders (AEs), a type of unsupervised neural network, is that a bottleneck is required to prevent learning the identity function. Learning the identity function renders the AEs useless for anomaly detection. In this work, we challenge this limiting belief and investigate the value of non-bottlenecked AEs. The bottleneck can be removed in two ways: (1) overparameterising the latent layer, and (2) introducing skip connections. However, limited works have reported on the use of one of the ways. For the first time, we carry out extensive experiments covering various combinations of bottleneck removal schemes, types of AEs and datasets. In addition, we propose the infinitely-wide AEs as an extreme example of non-bottlenecked AEs. Their improvement over the baseline implies learning the identity function is not trivial as previously assumed. Moreover, we find that non-bottlenecked architectures (highest AUROC=0.857) can outperform their bottlenecked counterparts (highest AUROC=0.696) on the popular task of CIFAR (inliers) vs SVHN (anomalies), among other tasks, shedding light on the potential of developing non-bottlenecked AEs for improving anomaly detection.

Sparse Bayesian learning (SBL) is a powerful framework for tackling the sparse coding problem. However, the most popular inference algorithms for SBL become too expensive for high-dimensional settings, due to the need to store and compute a large covariance matrix. We introduce a new inference scheme that avoids explicit construction of the covariance matrix by solving multiple linear systems in parallel to obtain the posterior moments for SBL. Our approach couples a little-known diagonal estimation result from numerical linear algebra with the conjugate gradient algorithm. On several simulations, our method scales better than existing approaches in computation time and memory, especially for structured dictionaries capable of fast matrix-vector multiplication.

Coping with increasing number of variables, optimizing predictive performance, and selecting among candidate scientific hypothesis are all valid reasons for using a variable selection algorithm. Another reality of today's datasets are missing values. Although there are existing methods for handling the missing values if applied directly, they can interfere with the assumptions of variable selection algorithms. In this work, we will discuss how model-x knockoffs (Candes et al. 2017), a new approach in principled variable selection, can be applied to datasets that contain missing values. By principled variable selection we refer to algorithms that aims to identify the Markov Blanket (MB) of a response variable (Tsamardinos and Aliferis 2003) while providing a control of the false selections. Identifying the MB is by definition optimal as the MB refers to the smallest subset of variables that is sufficient to describe the conditional distribution of the response variable. Controlling the false selections refers to limiting the variables that are selected due to random chance and is especially important in applications where a selected variable corresponds to a scientific discovery. Model-x knockoffs provides a framework for repurposing existing statistical/machine learning feature scorers for MB discovery. When the assumptions of the model-x framework holds, the expected fraction of selections that are conditionally pairwise independent with the response variable is controlled.

Artificial Intelligence is rapidly becoming the present and future of technology. Machine learning algorithms have been created to handle challenging real-world situations. These algorithms are highly efficient and self-modifying, as they improve over time with the addition of more data and minimal human involvement. Let's go over the top machine learning algorithms you should be familiar with to keep up with the latest ML advancements. The algorithm depicts the relationship between two variables, one independent and the other dependent. When the independent variable is changed, it affects the dependent variable.

We present an end-to-end differentiable neural network architecture to perform anomaly detection in multivariate time series by incorporating a Sequential Probability Ratio Test on the prediction residual. The architecture is a cascade of dynamical systems designed to separate linearly predictable components of the signal such as trends and seasonality, from the non-linear ones. The former are modeled by local Linear Dynamic Layers, and their residual is fed to a generic Temporal Convolutional Network that also aggregates global statistics from different time series as context for the local predictions of each one. The last layer implements the anomaly detector, which exploits the temporal structure of the prediction residuals to detect both isolated point anomalies and set-point changes. It is based on a novel application of the classic CUMSUM algorithm, adapted through the use of a variational approximation of f-divergences. The model automatically adapts to the time scales of the observed signals. It approximates a SARIMA model at the get-go, and auto-tunes to the statistics of the signal and its covariates, without the need for supervision, as more data is observed. The resulting system, which we call STRIC, outperforms both state-of-the-art robust statistical methods and deep neural network architectures on multiple anomaly detection benchmarks.

Naive Bayes(NB) is one of the essential algorithms in data mining. However, it is rarely used in reality because of the attribute independent assumption. Researchers have proposed many improved NB methods to alleviate this assumption. Among these methods, due to high efficiency and easy implementation, the filter attribute weighted NB methods receive great attentions. However, there still exists several challenges, such as the poor representation ability for single index and the fusion problem of two indexes. To overcome above challenges, we propose a general framework for Adaptive Two-index Fusion attribute weighted NB(ATFNB). Two types of data description category are used to represent the correlation between classes and attributes, intercorrelation between attributes and attributes, respectively. ATFNB can select any one index from each category. Then, we introduce a switching factor \{beta} to fuse two indexes, which can adaptively adjust the optimal ratio of the two index on various datasets. And a quick algorithm is proposed to infer the optimal interval of switching factor \{beta}. Finally, the weight of each attribute is calculated using the optimal value \{beta} and is integrated into NB classifier to improve the accuracy. The experimental results on 50 benchmark datasets and a Flavia dataset show that ATFNB outperforms the basic NB and state-of-the-art filter weighted NB models. In addition, the ATFNB framework can improve the existing two-index NB model by introducing the adaptive switching factor \{beta}. Auxiliary experimental results demonstrate the improved model significantly increases the accuracy compared to the original model without the adaptive switching factor \{beta}.

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.

Planet induced sub-structures, like annular gaps, observed in dust emission from protoplanetary disks provide a unique probe to characterize unseen young planets. While deep learning based model has an edge in characterizing the planet's properties over traditional methods, like customized simulations and empirical relations, it lacks in its ability to quantify the uncertainty associated with its predictions. In this paper, we introduce a Bayesian deep learning network "DPNNet-Bayesian" that can predict planet mass from disk gaps and provides uncertainties associated with the prediction. A unique feature of our approach is that it can distinguish between the uncertainty associated with the deep learning architecture and uncertainty inherent in the input data due to measurement noise. The model is trained on a data set generated from disk-planet simulations using the \textsc{fargo3d} hydrodynamics code with a newly implemented fixed grain size module and improved initial conditions. The Bayesian framework enables estimating a gauge/confidence interval over the validity of the prediction when applied to unknown observations. As a proof-of-concept, we apply DPNNet-Bayesian to dust gaps observed in HL Tau. The network predicts masses of $ 86.0 \pm 5.5 M_{\Earth} $, $ 43.8 \pm 3.3 M_{\Earth} $, and $ 92.2 \pm 5.1 M_{\Earth} $ respectively, which are comparable to other studies based on specialized simulations.

Fairness of machine learning algorithms has been of increasing interest. In order to suppress or eliminate discrimination in prediction, various notions as well as approaches have been proposed to impose fairness. Given a notion of fairness, an essential problem is then whether or not it can always be attained, even if with an unlimited amount of data. This issue is, however, not well addressed yet. In this paper, focusing on the Equalized Odds notion of fairness, we consider the attainability of this criterion and, furthermore, if it is attainable, the optimality of the prediction performance under various settings. In particular, for prediction performed by a deterministic function of input features, we give conditions under which Equalized Odds can hold true; if the stochastic prediction is acceptable, we show that under mild assumptions, fair predictors can always be derived. For classification, we further prove that compared to enforcing fairness by post-processing, one can always benefit from exploiting all available features during training and get potentially better prediction performance while remaining fair. Moreover, while stochastic prediction can attain Equalized Odds with theoretical guarantees, we also discuss its limitation and potential negative social impacts.

This paper studies the problem of matching two complete graphs with edge weights correlated through latent geometries, extending a recent line of research on random graph matching with independent edge weights to geometric models. Specifically, given a random permutation $\pi^*$ on $[n]$ and $n$ iid pairs of correlated Gaussian vectors $\{X_{\pi^*(i)}, Y_i\}$ in $\mathbb{R}^d$ with noise parameter $\sigma$, the edge weights are given by $A_{ij}=\kappa(X_i,X_j)$ and $B_{ij}=\kappa(Y_i,Y_j)$ for some link function $\kappa$. The goal is to recover the hidden vertex correspondence $\pi^*$ based on the observation of $A$ and $B$. We focus on the dot-product model with $\kappa(x,y)=\langle x, y \rangle$ and Euclidean distance model with $\kappa(x,y)=\|x-y\|^2$, in the low-dimensional regime of $d=o(\log n)$ wherein the underlying geometric structures are most evident. We derive an approximate maximum likelihood estimator, which provably achieves, with high probability, perfect recovery of $\pi^*$ when $\sigma=o(n^{-2/d})$ and almost perfect recovery with a vanishing fraction of errors when $\sigma=o(n^{-1/d})$. Furthermore, these conditions are shown to be information-theoretically optimal even when the latent coordinates $\{X_i\}$ and $\{Y_i\}$ are observed, complementing the recent results of [DCK19] and [KNW22] in geometric models of the planted bipartite matching problem. As a side discovery, we show that the celebrated spectral algorithm of [Ume88] emerges as a further approximation to the maximum likelihood in the geometric model.