Many modern complex data can be represented as a graph. In models dealing with graph-structured data, multivariate parameters are not just sparse but have structured sparsity and smoothness in the sense that both zero and non-zero parameters tend to cluster together. We propose a new prior for high dimensional parameters with graphical relations, referred to as a Tree-based Low-rank Horseshoe(T-LoHo) model, that generalizes the popular univariate Bayesian horseshoe shrinkage prior to the multivariate setting to detect structured sparsity and smoothness simultaneously. The prior can be embedded in many hierarchical high dimensional models. To illustrate its utility, we apply it to regularize a Bayesian high-dimensional regression problem where the regression coefficients are linked on a graph. The resulting clusters have flexible shapes and satisfy the cluster contiguity constraint with respect to the graph. We design an efficient Markov chain Monte Carlo algorithm that delivers full Bayesian inference with uncertainty measures for model parameters including the number of clusters. We offer theoretical investigations of the clustering effects and posterior concentration results. Finally, we illustrate the performance of the model with simulation studies and real data applications such as anomaly detection in road networks. The results indicate substantial improvements over other competing methods such as sparse fused lasso.

We present a method for conditional sampling with normalizing flows when only part of an observation is available. We rely on the following fact: if the flow's domain can be partitioned in such a way that the flow restrictions to subdomains keep the bijectivity property, a lower bound to the conditioning variable log-probability can be derived. Simulation from the variational conditional flow then amends to solving an equality constraint. Our contribution is three-fold: a) we provide detailed insights on the choice of variational distributions; b) we propose how to partition the input space of the flow to preserve bijectivity property; c) we propose a set of methods to optimise the variational distribution in specific cases. Through extensive experiments, we show that our sampling method can be applied with success to invertible residual networks for inference and classification.

Deep predictive models often make use of spurious correlations between the label and the covariates that differ between training and test distributions. In many classification tasks, spurious correlations are induced by a changing relationship between the label and some nuisance variables correlated with the covariates. For example, in classifying animals in natural images, the background, which is the nuisance, can predict the type of animal. This nuisance-label relationship does not always hold. We formalize a family of distributions that only differ in the nuisance-label relationship and introduce a distribution where this relationship is broken called the nuisance-randomized distribution. We introduce a set of predictive models built from the nuisance-randomized distribution with representations, that when conditioned on, do not correlate the label and the nuisance. For models in this set, we lower bound the performance for any member of the family with the mutual information between the representation and the label under the nuisance-randomized distribution. To build predictive models that maximize the performance lower bound, we develop Nuisance-Randomized Distillation (NURD). We evaluate NURD on a synthetic example, colored-MNIST, and classifying chest X-rays. When using non-lung patches as the nuisance in classifying chest X-rays, NURD produces models that predict pneumonia under strong spurious correlations.

In addition to recent developments in computing speed and memory, methodological advances have contributed to significant gains in the performance of stochastic simulation. In this paper, we focus on variance reduction for matrix computations via matrix factorization. We provide insights into existing variance reduction methods for estimating the entries of large matrices. Popular methods do not exploit the reduction in variance that is possible when the matrix is factorized. We show how computing the square root factorization of the matrix can achieve in some important cases arbitrarily better stochastic performance. In addition, we propose a factorized estimator for the trace of a product of matrices and numerically demonstrate that the estimator can be up to 1,000 times more efficient on certain problems of estimating the log-likelihood of a Gaussian process. Additionally, we provide a new estimator of the log-determinant of a positive semi-definite matrix where the log-determinant is treated as a normalizing constant of a probability density.

There is significant interest in learning and optimizing a complex system composed of multiple sub-components, where these components may be agents or autonomous sensors. Among the rich literature on this topic, agent-based and domain-specific simulations can capture complex dynamics and subgroup interaction, but optimizing over such simulations can be computationally and algorithmically challenging. Bayesian approaches, such as Gaussian processes (GPs), can be used to learn a computationally tractable approximation to the underlying dynamics but typically neglect the detailed information about subgroups in the complicated system. We attempt to find the best of both worlds by proposing the idea of decomposed feedback, which captures group-based heterogeneity and dynamics. We introduce a novel decomposed GP regression to incorporate the subgroup decomposed feedback. Our modified regression has provably lower variance -- and thus a more accurate posterior -- compared to previous approaches; it also allows us to introduce a decomposed GP-UCB optimization algorithm that leverages subgroup feedback. The Bayesian nature of our method makes the optimization algorithm trackable with a theoretical guarantee on convergence and no-regret property. To demonstrate the wide applicability of this work, we execute our algorithm on two disparate social problems: infectious disease control in a heterogeneous population and allocation of distributed weather sensors. Experimental results show that our new method provides significant improvement compared to the state-of-the-art.

Hyperspectral (HS) images are characterized by approximately contiguous spectral information, enabling the fine identification of materials by capturing subtle spectral discrepancies. Owing to their excellent locally contextual modeling ability, convolutional neural networks (CNNs) have been proven to be a powerful feature extractor in HS image classification. However, CNNs fail to mine and represent the sequence attributes of spectral signatures well due to the limitations of their inherent network backbone. To solve this issue, we rethink HS image classification from a sequential perspective with transformers, and propose a novel backbone network called \ul{SpectralFormer}. Beyond band-wise representations in classic transformers, SpectralFormer is capable of learning spectrally local sequence information from neighboring bands of HS images, yielding group-wise spectral embeddings. More significantly, to reduce the possibility of losing valuable information in the layer-wise propagation process, we devise a cross-layer skip connection to convey memory-like components from shallow to deep layers by adaptively learning to fuse "soft" residuals across layers. It is worth noting that the proposed SpectralFormer is a highly flexible backbone network, which can be applicable to both pixel- and patch-wise inputs. We evaluate the classification performance of the proposed SpectralFormer on three HS datasets by conducting extensive experiments, showing the superiority over classic transformers and achieving a significant improvement in comparison with state-of-the-art backbone networks. The codes of this work will be available at \url{https://sites.google.com/view/danfeng-hong} for the sake of reproducibility.

This chapter aims to provide next level understanding of the problems of the world and the solutions available to those problems, which lie very well within the domain of neural computing, and at the same time are intelligent in their approach, to invoke a sense of innovation among the educationalists, researchers, academic professionals, students and people concerned, by highlighting the work done by major researchers and innovators in this field and thus, encouraging the readers to develop newer and more advanced techniques for the same. By means of this chapter, the societal problems are discussed and various solutions are also given by means of the theories presented and researches done so far. Different types of neural networks discovered so far and applications of some of those neural networks are focused on, apart from their theoretical understanding, the working and core concepts involved in the applications.

In this paper, we propose a novel approach to support domain-specific Model-Driven Software Engineering (MDSE) for the real-world use-case scenarios of smart Cyber-Physical Systems (CPS) and the Internet of Things (IoT). We argue that the majority of available data in the nature for Artificial Intelligence (AI), specifically Machine Learning (ML) are unlabeled. Hence, unsupervised and/or semi-supervised ML approaches are the practical choices. However, prior work in the literature of MDSE has considered supervised ML approaches, which only work with labeled training data. Our proposed approach is fully implemented and integrated with an existing state-of-the-art MDSE tool to serve the CPS/IoT domain. Moreover, we validate the proposed approach using a portion of the open data of the REFIT reference dataset for the smart energy systems domain. Our model-to-code transformations (code generators) provide the full source code of the desired IoT services out of the model instances in an automated manner. Currently, we generate the source code in Java and Python. The Python code is responsible for the ML functionalities and uses the APIs of several ML libraries and frameworks, namely Scikit-Learn, Keras and TensorFlow. For unsupervised and semi-supervised learning, the APIs of Scikit-Learn are deployed. In addition to the pure MDSE approach, where certain ML methods, e.g., K-Means, Mini-Batch K-Means, DB-SCAN, Spectral Clustering, Gaussian Mixture Model, Self-Training, Label Propagation and Label Spreading are supported, a more flexible, hybrid approach is also enabled to support the practitioner in deploying a pre-trained ML model with any arbitrary architecture and learning algorithm.

Models are used in both the Software Engineering (SE) and the Artificial Intelligence (AI) communities. In the former case, models of software, which may specify the software system architecture on different levels of abstraction could be used in various stages of the Software Development Life-Cycle (SDLC), from early conceptualization and design, to verification, implementation, testing and evolution. However, in the latter case, i.e., AI, models may provide smart capabilities, such as prediction and decision making support. For instance, in Machine Learning (ML), which is the most popular sub-discipline of AI at the present time, mathematical models may learn useful patterns in the observed data instances and can become capable of making better predictions or recommendations in the future. The goal of this work is to create synergy by bringing models in the said communities together and proposing a holistic approach. We illustrate how software models can become capable of producing or dealing with data analytics and ML models. The main focus is on the Internet of Things (IoT) and smart Cyber-Physical Systems (CPS) use cases, where both ML and model-driven (model-based) SE play a key role. In particular, we implement the proposed approach in an open source prototype and validate it using two use cases from the IoT/CPS domain.

Strategies based on Explainable Artificial Intelligence - XAI have emerged in computing to promote a better understanding of predictions made by black box models. Most XAI-based tools used today explain these types of models, generating attribute rankings aimed at explaining the same, that is, the analysis of Attribute Importance. There is no consensus on which XAI tool generates a general rank of explainability, for this reason, several proposals for tools have emerged (Ciu, Dalex, Eli5, Lofo, Shap and Skater). Here, we present an experimental benchmark of explainable AI techniques capable of producing model-agnostic global explainability ranks based on tabular data related to different problems. Seeking to answer questions such as "Are the explanations generated by the different tools the same, similar or different?" and "How does data complexity play along model explainability?". The results from the construction of 82 computational models and 592 ranks give us some light on the other side of the problem of explainability: dataset complexity!