Graph autoencoders (GAEs) are self-supervised learning models that can learn meaningful representations of graph-structured data by reconstructing the input graph from a low-dimensional latent space. Over the past few years, GAEs have gained significant attention in academia and industry. In particular, the recent advent of GAEs with masked autoencoding schemes marks a significant advancement in graph self-supervised learning research. While numerous GAEs have been proposed, the underlying mechanisms of GAEs are not well understood, and a comprehensive benchmark for GAEs is still lacking. We revisit the GAEs studied in previous works and demonstrate how contrastive learning principles can be applied to GAEs. Motivated by these insights, we introduce lrGAE (left-right GAE), a general and powerful GAE framework that leverages contrastive learning principles to learn meaningful representations. Our proposed lrGAE not only facilitates a deeper understanding of GAEs but also sets a new benchmark for GAEs across diverse graph-based learning tasks. In the last years, self-supervised learning (SSL) has emerged as a powerful learning paradigm for learning graph representations, approaching, and sometimes even surpassing, the performance of supervised counterparts on many downstream tasks Hjelm et al. (2019); van den Oord et al. (2018). Compared with supervised learning, self-supervised learning gets equal or even better performance with limited or no-labeled data which saves much annotation time and plenty of resources. In a nutshell, SSL purely makes use of rich unlabeled data via well-designed pretext tasks that exploit the underlying structure and patterns in the data. Most recent approaches are shaped by the design of pretext tasks and architectural design, which has led to two lines of research: contrastive and non-contrastive learning Garrido et al. (2023); Balestriero & LeCun (2022). As one of the most successful and widespread SSL strategies, contrastive learning has first shown promising performance in vision representation learning Chen et al. (2020); Gao et al. (2021). It brings together embeddings of different views of the same image while pushing away the embeddings from different ones. Contrastive learning develops rapidly and has recently been applied to the graph learning domain because of the scarcity of graph datasets with labels.

Motivated by real-world situations found in high energy particle physics, we consider a generalisation of the likelihood-ratio estimation task to a quasiprobabilistic setting where probability densities can be negative. By extension, this framing also applies to importance sampling in a setting where the importance weights can be negative. The presence of negative densities and negative weights, pose an array of challenges to traditional neural likelihood ratio estimation methods. We address these challenges by introducing a novel loss function. In addition, we introduce a new model architecture based on the decomposition of a likelihood ratio using signed mixture models, providing a second strategy for overcoming these challenges. Finally, we demonstrate our approach on a pedagogical example and a real-world example from particle physics.

The vector quantization is a widely used method to map continuous representation to discrete space and has important application in tokenization for generative mode, bottlenecking information and many other tasks in machine learning. Vector Quantized Variational Autoencoder (VQ-VAE) is a type of variational autoencoder using discrete embedding as latent. We generalize the technique further, enriching the probabilistic framework with a Gaussian mixture as the underlying generative model. This framework leverages a codebook of latent means and adaptive variances to capture complex data distributions. This principled framework avoids various heuristics and strong assumptions that are needed with the VQ-VAE to address training instability and to improve codebook utilization. This approach integrates the benefits of both discrete and continuous representations within a variational Bayesian framework. Furthermore, by introducing the \textit{Aggregated Categorical Posterior Evidence Lower Bound} (ALBO), we offer a principled alternative optimization objective that aligns variational distributions with the generative model. Our experiments demonstrate that GM-VQ improves codebook utilization and reduces information loss without relying on handcrafted heuristics.

Reliable estimation of treatment effects from observational data is important in many disciplines such as medicine. However, estimation is challenging when unconfoundedness as a standard assumption in the causal inference literature is violated. In this work, we leverage arbitrary (potentially high-dimensional) instruments to estimate bounds on the conditional average treatment effect (CATE). Our contributions are three-fold: (1) We propose a novel approach for partial identification through a mapping of instruments to a discrete representation space so that we yield valid bounds on the CATE. This is crucial for reliable decision-making in real-world applications. (2) We derive a two-step procedure that learns tight bounds using a tailored neural partitioning of the latent instrument space. As a result, we avoid instability issues due to numerical approximations or adversarial training. Furthermore, our procedure aims to reduce the estimation variance in finite-sample settings to yield more reliable estimates. (3) We show theoretically that our procedure obtains valid bounds while reducing estimation variance. We further perform extensive experiments to demonstrate the effectiveness across various settings. Overall, our procedure offers a novel path for practitioners to make use of potentially high-dimensional instruments (e.g., as in Mendelian randomization).

Early detection of fuel leakage at service stations with underground petroleum storage systems is a crucial task to prevent catastrophic hazards. Current data-driven fuel leakage detection methods employ offline statistical inventory reconciliation, leading to significant detection delays. Consequently, this can result in substantial financial loss and environmental impact on the surrounding community. In this paper, we propose a novel framework called Memory-based Online Change Point Detection (MOCPD) which operates in near real-time, enabling early detection of fuel leakage. MOCPD maintains a collection of representative historical data within a size-constrained memory, along with an adaptively computed threshold. Leaks are detected when the dissimilarity between the latest data and historical memory exceeds the current threshold. An update phase is incorporated in MOCPD to ensure diversity among historical samples in the memory. With this design, MOCPD is more robust and achieves a better recall rate while maintaining a reasonable precision score. We have conducted a variety of experiments comparing MOCPD to commonly used online change point detection (CPD) baselines on real-world fuel variance data with induced leakages, actual fuel leakage data and benchmark CPD datasets. Overall, MOCPD consistently outperforms the baseline methods in terms of detection accuracy, demonstrating its applicability to fuel leakage detection and CPD problems.

Feature selection is a crucial step in machine learning, especially for high-dimensional datasets, where irrelevant and redundant features can degrade model performance and increase computational costs. This paper proposes a novel large-scale multi-objective evolutionary algorithm based on the search space shrinking, termed LMSSS, to tackle the challenges of feature selection particularly as a sparse optimization problem. The method includes a shrinking scheme to reduce dimensionality of the search space by eliminating irrelevant features before the main evolutionary process. This is achieved through a ranking-based filtering method that evaluates features based on their correlation with class labels and frequency in an initial, cost-effective evolutionary process. Additionally, a smart crossover scheme based on voting between parent solutions is introduced, giving higher weight to the parent with better classification accuracy. An intelligent mutation process is also designed to target features prematurely excluded from the population, ensuring they are evaluated in combination with other features. These integrated techniques allow the evolutionary process to explore the search space more efficiently and effectively, addressing the sparse and high-dimensional nature of large-scale feature selection problems. The effectiveness of the proposed algorithm is demonstrated through comprehensive experiments on 15 large-scale datasets, showcasing its potential to identify more accurate feature subsets compared to state-of-the-art large-scale feature selection algorithms. These results highlight LMSSS's capability to improve model performance and computational efficiency, setting a new benchmark in the field.

Explainability and evaluation of AI models are crucial parts of the security of modern intrusion detection systems (IDS) in the network security field, yet they are lacking. Accordingly, feature selection is essential for such parts in IDS because it identifies the most paramount features, enhancing attack detection and its description. In this work, we tackle the feature selection problem for IDS by suggesting new ways of applying eXplainable AI (XAI) methods for this problem. We identify the crucial attributes originated by distinct AI methods in tandem with the novel five attribute selection methods. We then compare many state-of-the-art feature selection strategies with our XAI-based feature selection methods, showing that most AI models perform better when using the XAI-based approach proposed in this work. By providing novel feature selection techniques and establishing the foundation for several XAI-based strategies, this research aids security analysts in the AI decision-making reasoning of IDS by providing them with a better grasp of critical intrusion traits. Furthermore, we make the source codes available so that the community may develop additional models on top of our foundational XAI-based feature selection framework.

This proposal aims to develop more accurate federated learning (FL) methods with faster convergence properties and lower communication requirements, specifically for forecasting distributed energy resources (DER) such as renewables, energy storage, and loads in modern, low-carbon power grids. This will be achieved by (i) leveraging recently developed extensions of FL such as hierarchical and iterative clustering to improve performance with non-IID data, (ii) experimenting with different types of FL global models well-suited to time-series data, and (iii) incorporating domain-specific knowledge from power systems to build more general FL frameworks and architectures that can be applied to diverse types of DERs beyond just load forecasting, and with heterogeneous clients.

Evaluating large vision-language models (LVLMs) is very expensive, due to the high computational costs and the wide variety of tasks. The good news is that if we already have some observed performance scores, we may be able to infer unknown ones. In this study, we propose a new framework for predicting unknown performance scores based on observed ones from other LVLMs or tasks. We first formulate the performance prediction as a matrix completion task. Specifically, we construct a sparse performance matrix $\boldsymbol{R}$, where each entry $R_{mn}$ represents the performance score of the $m$-th model on the $n$-th dataset. By applying probabilistic matrix factorization (PMF) with Markov chain Monte Carlo (MCMC), we can complete the performance matrix, that is, predict unknown scores. Additionally, we estimate the uncertainty of performance prediction based on MCMC. Practitioners can evaluate their models on untested tasks with higher uncertainty first, quickly reducing errors in performance prediction. We further introduce several improvements to enhance PMF for scenarios with sparse observed performance scores. In experiments, we systematically evaluate 108 LVLMs on 176 datasets from 36 benchmarks, constructing training and testing sets for validating our framework. Our experiments demonstrate the accuracy of PMF in predicting unknown scores, the reliability of uncertainty estimates in ordering evaluations, and the effectiveness of our enhancements for handling sparse data.

Privacy regulations like the GDPR in Europe and the CCPA in the US allow users the right to remove their data ML applications. Machine unlearning addresses this by modifying the ML parameters in order to forget the influence of a specific data point on its weights. Recent literature has highlighted that the contribution from data point(s) can be forged with some other data points in the dataset with probability close to one. This allows a server to falsely claim unlearning without actually modifying the model's parameters. However, in distributed paradigms such as FL, where the server lacks access to the dataset and the number of clients are limited, claiming unlearning in such cases becomes a challenge. This paper introduces an efficient way to achieve federated unlearning, by employing a privacy model which allows the FL server to plausibly deny the client's participation in the training up to a certain extent. We demonstrate that the server can generate a Proof-of-Deniability, where each aggregated update can be associated with at least x number of client updates. This enables the server to plausibly deny a client's participation. However, in the event of frequent unlearning requests, the server is required to adopt an unlearning strategy and, accordingly, update its model parameters. We also perturb the client updates in a cluster in order to avoid inference from an honest but curious server. We show that the global model satisfies differential privacy after T number of communication rounds. The proposed methodology has been evaluated on multiple datasets in different privacy settings. The experimental results show that our framework achieves comparable utility while providing a significant reduction in terms of memory (30 times), as well as retraining time (1.6-500769 times). The source code for the paper is available.