As compliance with privacy regulations becomes increasingly critical, the growing demand for data privacy has highlighted the significance of machine unlearning in many real world applications, such as social network and recommender systems, many of which can be represented as graph-structured data. However, existing graph unlearning algorithms indiscriminately modify edges or nodes from well-trained models without considering the potential impact of such structural modifications on fairness. For example, forgetting links between nodes with different genders in a social network may exacerbate group disparities, leading to significant fairness concerns. To address these challenges, we propose a novel approach that jointly optimizes the graph structure and the corresponding model for fair unlearning tasks. Specifically,our approach rewires the graph to enhance unlearning efficiency by removing redundant edges that hinder forgetting while preserving fairness through targeted edge augmentation. Additionally, we introduce a worst-case evaluation mechanism to assess the reliability of fair unlearning performance. Extensive experiments on real-world datasets demonstrate the effectiveness of the proposed approach in achieving superior unlearning outcomes.

Gaussian process state-space models (GPSSMs) have emerged as a powerful framework for modeling dynamical systems, offering interpretable uncertainty quantification and inherent regularization. However, existing GPSSMs face significant challenges in handling high-dimensional, non-stationary systems due to computational inefficiencies, limited scalability, and restrictive stationarity assumptions. In this paper, we propose an efficient transformed Gaussian process state-space model (ETGPSSM) to address these limitations. Our approach leverages a single shared Gaussian process (GP) combined with normalizing flows and Bayesian neural networks, enabling efficient modeling of complex, high-dimensional state transitions while preserving scalability. To address the lack of closed-form expressions for the implicit process in the transformed GP, we follow its generative process and introduce an efficient variational inference algorithm, aided by the ensemble Kalman filter (EnKF), to enable computationally tractable learning and inference. Extensive empirical evaluations on synthetic and real-world datasets demonstrate the superior performance of our ETGPSSM in system dynamics learning, high-dimensional state estimation, and time-series forecasting, outperforming existing GPSSMs and neural network-based methods in both accuracy and computational efficiency.

Counterfactual explanations have emerged as a prominent method in Explainable Artificial Intelligence (XAI), providing intuitive and actionable insights into Machine Learning model decisions. In contrast to other traditional feature attribution methods that assess the importance of input variables, counterfactual explanations focus on identifying the minimal changes required to alter a model's prediction, offering a ``what-if'' analysis that is close to human reasoning. In the context of XAI, counterfactuals enhance transparency, trustworthiness and fairness, offering explanations that are not just interpretable but directly applicable in the decision-making processes. In this paper, we present a novel framework that integrates perturbation theory and statistical mechanics to generate minimal counterfactual explanations in explainable AI. We employ a local Taylor expansion of a Machine Learning model's predictive function and reformulate the counterfactual search as an energy minimization problem over a complex landscape. In sequence, we model the probability of candidate perturbations leveraging the Boltzmann distribution and use simulated annealing for iterative refinement. Our approach systematically identifies the smallest modifications required to change a model's prediction while maintaining plausibility. Experimental results on benchmark datasets for cybersecurity in Internet of Things environments, demonstrate that our method provides actionable, interpretable counterfactuals and offers deeper insights into model sensitivity and decision boundaries in high-dimensional spaces.

Classification is a core topic in functional data analysis. A large number of functional classifiers have been proposed in the literature, most of which are based on functional principal component analysis or functional regression. In contrast, we investigate this topic from the perspective of manifold learning. It is assumed that functional data lie on an unknown low-dimensional manifold, and we expect that better classifiers can be built upon the manifold structure. To this end, we propose a novel proximity measure that takes the label information into account to learn the low-dimensional representations, also known as the supervised manifold learning outcomes. When the outcomes are coupled with multivariate classifiers, the procedure induces a family of new functional classifiers. In theory, we show that our functional classifier induced by the $k$-NN classifier is asymptotically optimal. In practice, we show that our method, coupled with several classical multivariate classifiers, achieves outstanding classification performance compared to existing functional classifiers in both synthetic and real data examples.

Effective risk management solutions become absolutely crucial when financial markets embrace distributed technology and decentralized financing (DeFi). This study offers a thorough survey and comparative analysis of the integration of artificial intelligence (AI) in risk management for distributed arbitrage systems. We examine several modern caching techniques namely in memory caching, distributed caching, and proxy caching and their functions in enhancing performance in decentralized settings. Through literature review we examine the utilization of AI techniques for alleviating risks related to market volatility, liquidity challenges, operational failures, regulatory compliance, and security threats. This comparison research evaluates various case studies from prominent DeFi technologies, emphasizing critical performance metrics like latency reduction, load balancing, and system resilience. Additionally, we examine the problems and trade offs associated with these technologies, emphasizing their effects on consistency, scalability, and fault tolerance. By meticulously analyzing real world applications, specifically centering on the Aave platform as our principal case study, we illustrate how the purposeful amalgamation of AI with contemporary caching methodologies has revolutionized risk management in distributed arbitrage systems.

As current group contribution (GC) methods are mostly proposed for a wide size-range of molecules, applying them to property prediction of small refrigerant molecules could lead to unacceptable errors. In this sense, for the design of novel refrigerants and refrigeration systems, tailoring GC-based models specifically fitted to refrigerant molecules is of great interest. In this work, databases of potential refrigerant molecules are first collected, focusing on five key properties related to the operational efficiency of refrigeration systems, namely normal boiling point, critical temperature, critical pressure, enthalpy of vaporization, and acentric factor. Based on tailored small-molecule groups, the GC method is combined with machine learning (ML) to model these performance-related properties. Following the development of GC-ML models, their performance is analyzed to highlight the potential group-to-property contributions. Additionally, the refrigerant property databases are extended internally and externally, based on which examples are presented to highlight the significance of the developed models.

Graphical Transformation Models (GTMs) are introduced as a novel approach to effectively model multivariate data with intricate marginals and complex dependency structures non-parametrically, while maintaining interpretability through the identification of varying conditional independencies. GTMs extend multivariate transformation models by replacing the Gaussian copula with a custom-designed multivariate transformation, offering two major advantages. Firstly, GTMs can capture more complex interdependencies using penalized splines, which also provide an efficient regularization scheme. Secondly, we demonstrate how to approximately regularize GTMs using a lasso penalty towards pairwise conditional independencies, akin to Gaussian graphical models. The model's robustness and effectiveness are validated through simulations, showcasing its ability to accurately learn parametric vine copulas and identify conditional independencies. Additionally, the model is applied to a benchmark astrophysics dataset, where the GTM demonstrates favorable performance compared to non-parametric vine copulas in learning complex multivariate distributions.

Graph Contrastive Learning (GCL) aims to self-supervised learn low-dimensional graph representations, primarily through instance discrimination, which involves manually mining positive and negative pairs from graphs, increasing the similarity of positive pairs while decreasing negative pairs. Drawing from the success of Contrastive Learning (CL) in other domains, a consensus has been reached that the effectiveness of GCLs depends on a large number of negative pairs. As a result, despite the significant computational overhead, GCLs typically leverage as many negative node pairs as possible to improve model performance. However, given that nodes within a graph are interconnected, we argue that nodes cannot be treated as independent instances. Therefore, we challenge this consensus: Does employing more negative nodes lead to a more effective GCL model? To answer this, we explore the role of negative nodes in the commonly used InfoNCE loss for GCL and observe that: (1) Counterintuitively, a large number of negative nodes can actually hinder the model's ability to distinguish nodes with different semantics. (2) A smaller number of high-quality and non-topologically coupled negative nodes are sufficient to enhance the discriminability of representations. Based on these findings, we propose a new method called GCL with Effective and Efficient Negative samples, E2Neg, which learns discriminative representations using only a very small set of representative negative samples. E2Neg significantly reduces computational overhead and speeds up model training. We demonstrate the effectiveness and efficiency of E2Neg across multiple datasets compared to other GCL methods.

To accommodate constantly changing road conditions, real-time model training is essential for autonomous driving (AD). Federated learning (FL) serves as a promising paradigm to enable autonomous vehicles to train models collaboratively with their onboard computing resources. However, existing vehicle selection schemes for FL all assume predetermined and location-independent vehicles' datasets, neglecting the fact that vehicles collect training data along their routes, thereby resulting in suboptimal vehicle selection. To improve the perception quality in AD for a region, we propose Sense4FL, a vehicular crowdsensing-enhanced FL framework featuring trajectory-dependent vehicular training data collection. To this end, we first derive the convergence bound of FL by considering the impact of both vehicles' uncertain trajectories and uploading probabilities, from which we discover that minimizing the training loss is equivalent to minimizing a weighted sum of local and global earth mover's distance (EMD) between vehicles' collected data distribution and global data distribution. Based on this observation, we formulate the trajectory-dependent vehicle selection and data collection problem for FL in AD. Given that the problem is NP-hard, we develop an efficient algorithm to find the solution with an approximation guarantee. Extensive simulation results have demonstrated the effectiveness of our approach in improving object detection performance compared with existing benchmarks.

There are many approaches for training decision trees. This work introduces a novel gradient-based method for constructing decision trees that optimize arbitrary differentiable loss functions, overcoming the limitations of heuristic splitting rules. Unlike traditional approaches that rely on heuristic splitting rules, the proposed method refines predictions using the first and second derivatives of the loss function, enabling the optimization of complex tasks such as classification, regression, and survival analysis. We demonstrate the method's applicability to classification, regression, and survival analysis tasks, including those with censored data. Numerical experiments on both real and synthetic datasets compare the proposed method with traditional decision tree algorithms, such as CART, Extremely Randomized Trees, and SurvTree. The implementation of the method is publicly available, providing a practical tool for researchers and practitioners. This work advances the field of decision tree-based modeling, offering a more flexible and accurate approach for handling structured data and complex tasks. By leveraging gradient-based optimization, the proposed method bridges the gap between traditional decision trees and modern machine learning techniques, paving the way for further innovations in interpretable and high-performing models.