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It is often useful to perform integration over learned functions represented by neural networks. However, this integration is usually performed numerically, as analytical integration over learned functions (especially neural networks) is generally viewed as intractable. In this work, we present a method for representing the analytical integral of a learned function $f$. This allows the exact integral of a neural network to be computed, and enables constrained neural networks to be parametrised by applying constraints directly to the integral. Crucially, we also introduce a method to constrain $f$ to be positive, a necessary condition for many applications (e.g. probability distributions, distance metrics, etc). Finally, we introduce several applications where our fixed-integral neural network (FINN) can be utilised.

Cybercrime is a growing threat to organizations and individuals worldwide, with criminals using sophisticated techniques to breach security systems and steal sensitive data. This paper aims to comprehensively survey the latest advancements in cybercrime prediction, highlighting the relevant research. For this purpose, we reviewed more than 150 research articles and discussed 50 most recent and appropriate ones. We start the review with some standard methods cybercriminals use and then focus on the latest machine and deep learning techniques, which detect anomalous behavior and identify potential threats. We also discuss transfer learning, which allows models trained on one dataset to be adapted for use on another dataset. We then focus on active and reinforcement learning as part of early-stage algorithmic research in cybercrime prediction. Finally, we discuss critical innovations, research gaps, and future research opportunities in Cybercrime prediction. This paper presents a holistic view of cutting-edge developments and publicly available datasets.

Gaussian mixtures are widely used for approximating density functions in various applications such as density estimation, belief propagation, and Bayesian filtering. These applications often utilize Gaussian mixtures as initial approximations that are updated recursively. A key challenge in these recursive processes stems from the exponential increase in the mixture's order, resulting in intractable inference. To overcome the difficulty, the Gaussian mixture reduction (GMR), which approximates a high order Gaussian mixture by one with a lower order, can be used. Although existing clustering-based methods are known for their satisfactory performance and computational efficiency, their convergence properties and optimal targets remain unknown. In this paper, we propose a novel optimization-based GMR method based on composite transportation divergence (CTD). We develop a majorization-minimization algorithm for computing the reduced mixture and establish its theoretical convergence under general conditions. Furthermore, we demonstrate that many existing clustering-based methods are special cases of ours, effectively bridging the gap between optimization-based and clustering-based techniques. Our unified framework empowers users to select the most appropriate cost function in CTD to achieve superior performance in their specific applications. Through extensive empirical experiments, we demonstrate the efficiency and effectiveness of our proposed method, showcasing its potential in various domains.

Deep neural networks are increasingly utilized in various machine learning tasks. However, as these models grow in complexity, they often face calibration issues, despite enhanced prediction accuracy. Many studies have endeavored to improve calibration performance through data preprocessing, the use of specific loss functions, and training frameworks. Yet, investigations into calibration properties have been somewhat overlooked. Our study leverages the Neural Architecture Search (NAS) search space, offering an exhaustive model architecture space for thorough calibration properties exploration. We specifically create a model calibration dataset. This dataset evaluates 90 bin-based and 12 additional calibration measurements across 117,702 unique neural networks within the widely employed NATS-Bench search space. Our analysis aims to answer several longstanding questions in the field, using our proposed dataset: (i) Can model calibration be generalized across different tasks? (ii) Can robustness be used as a calibration measurement? (iii) How reliable are calibration metrics? (iv) Does a post-hoc calibration method affect all models uniformly? (v) How does calibration interact with accuracy? (vi) What is the impact of bin size on calibration measurement? (vii) Which architectural designs are beneficial for calibration? Additionally, our study bridges an existing gap by exploring calibration within NAS. By providing this dataset, we enable further research into NAS calibration. As far as we are aware, our research represents the first large-scale investigation into calibration properties and the premier study of calibration issues within NAS.

Foundation models encompass an extensive knowledge base and offer remarkable transferability. However, this knowledge becomes outdated or insufficient over time. The challenge lies in continuously updating foundation models to accommodate novel information while retaining their original capabilities. Leveraging the fact that foundation models have initial knowledge on various tasks and domains, we propose a novel approach that, instead of updating all parameters equally, localizes the updates to a sparse set of parameters relevant to the task being learned. We strike a balance between efficiency and new tasks performance, while maintaining the transferability and generalizability of foundation models. We extensively evaluate our method on foundational vision-language models with a diverse spectrum of continual learning tasks. Our method achieves improvements on the newly learned tasks accuracy up to 7% while preserving the pretraining knowledge with a negligible decrease of 0.9% on a representative control set accuracy.

This manuscript portrays optimization as a process. In many practical applications the environment is so complex that it is infeasible to lay out a comprehensive theoretical model and use classical algorithmic theory and mathematical optimization. It is necessary as well as beneficial to take a robust approach, by applying an optimization method that learns as one goes along, learning from experience as more aspects of the problem are observed. This view of optimization as a process has become prominent in varied fields and has led to some spectacular success in modeling and systems that are now part of our daily lives.

Causality can be described in terms of a structural causal model (SCM) that carries information on the variables of interest and their mechanistic relations. For most processes of interest the underlying SCM will only be partially observable, thus causal inference tries to leverage any exposed information. Graph neural networks (GNN) as universal approximators on structured input pose a viable candidate for causal learning, suggesting a tighter integration with SCM. To this effect we present a theoretical analysis from first principles that establishes a novel connection between GNN and SCM while providing an extended view on general neural-causal models. We then establish a new model class for GNN-based causal inference that is necessary and sufficient for causal effect identification. Our empirical illustration on simulations and standard benchmarks validate our theoretical proofs.

Analyzing observational data from multiple sources can be useful for increasing statistical power to detect a treatment effect; however, practical constraints such as privacy considerations may restrict individual-level information sharing across data sets. This paper develops federated methods that only utilize summary-level information from heterogeneous data sets. Our federated methods provide doubly-robust point estimates of treatment effects as well as variance estimates. We derive the asymptotic distributions of our federated estimators, which are shown to be asymptotically equivalent to the corresponding estimators from the combined, individual-level data. We show that to achieve these properties, federated methods should be adjusted based on conditions such as whether models are correctly specified and stable across heterogeneous data sets.

Graph Neural Networks (GNNs) have proven to be useful for many different practical applications. However, many existing GNN models have implicitly assumed homophily among the nodes connected in the graph, and therefore have largely overlooked the important setting of heterophily, where most connected nodes are from different classes. In this work, we propose a novel framework called CPGNN that generalizes GNNs for graphs with either homophily or heterophily. The proposed framework incorporates an interpretable compatibility matrix for modeling the heterophily or homophily level in the graph, which can be learned in an end-to-end fashion, enabling it to go beyond the assumption of strong homophily. Theoretically, we show that replacing the compatibility matrix in our framework with the identity (which represents pure homophily) reduces to GCN. Our extensive experiments demonstrate the effectiveness of our approach in more realistic and challenging experimental settings with significantly less training data compared to previous works: CPGNN variants achieve state-of-the-art results in heterophily settings with or without contextual node features, while maintaining comparable performance in homophily settings.

Data augmentation has been widely used to improve generalizability of machine learning models. However, comparatively little work studies data augmentation for graphs. This is largely due to the complex, non-Euclidean structure of graphs, which limits possible manipulation operations. Augmentation operations commonly used in vision and language have no analogs for graphs. Our work studies graph data augmentation for graph neural networks (GNNs) in the context of improving semi-supervised node-classification. We discuss practical and theoretical motivations, considerations and strategies for graph data augmentation. Our work shows that neural edge predictors can effectively encode class-homophilic structure to promote intra-class edges and demote inter-class edges in given graph structure, and our main contribution introduces the GAug graph data augmentation framework, which leverages these insights to improve performance in GNN-based node classification via edge prediction. Extensive experiments on multiple benchmarks show that augmentation via GAug improves performance across GNN architectures and datasets.