Graph Neural Networks (GNNs) have demonstrated remarkable utility across diverse applications, and their growing complexity has made Machine Learning as a Service (MLaaS) a viable platform for scalable deployment. However, this accessibility also exposes GNN to serious security threats, most notably model extraction attacks (MEAs), in which adversaries strategically query a deployed model to construct a high-fidelity replica. In this work, we evaluate the vulnerability of GNNs to MEAs and explore their potential for cost-effective model acquisition in non-adversarial research settings. Importantly, adaptive node querying strategies can also serve a critical role in research, particularly when labeling data is expensive or time-consuming. By selectively sampling informative nodes, researchers can train high-performing GNNs with minimal supervision, which is particularly valuable in domains such as biomedicine, where annotations often require expert input. To address this, we propose a node querying strategy tailored to a highly practical yet underexplored scenario, where bulk queries are prohibited, and only a limited set of initial nodes is available. Our approach iteratively refines the node selection mechanism over multiple learning cycles, leveraging historical feedback to improve extraction efficiency. Extensive experiments on benchmark graph datasets demonstrate our superiority over comparable baselines on accuracy, fidelity, and F1 score under strict query-size constraints. These results highlight both the susceptibility of deployed GNNs to extraction attacks and the promise of ethical, efficient GNN acquisition methods to support low-resource research environments.

We consider the multinomial logistic bandit problem, a variant of generalized linear bandits where a learner interacts with an environment by selecting actions to maximize expected rewards based on probabilistic feedback from multiple possible outcomes. In the binary setting, recent work has focused on understanding the impact of the non-linearity of the logistic model (Faury et al., 2020; Abeille et al., 2021). They introduced a problem-dependent constant $κ_*$, that may be exponentially large in some problem parameters and which is captured by the derivative of the sigmoid function. It encapsulates the non-linearity and improves existing regret guarantees over $T$ rounds from $\smash{O(d\sqrt{T})}$ to $\smash{O(d\sqrt{T/κ_*})}$, where $d$ is the dimension of the parameter space. We extend their analysis to the multinomial logistic bandit framework, making it suitable for complex applications with more than two choices, such as reinforcement learning or recommender systems. To achieve this, we extend the definition of $κ_*$ to the multinomial setting and propose an efficient algorithm that leverages the problem's non-linearity. Our method yields a problem-dependent regret bound of order $ \smash{\widetilde{\mathcal{O}}( Kd \sqrt{{T}/{κ_*}})} $, where $K$ is the number of actions and $κ_* \ge 1$. This improves upon the best existing guarantees of order $ \smash{\widetilde{\mathcal{O}}( Kd \sqrt{T} )} $. Moreover, we provide a $\smash{ Ω(d\sqrt{T/κ_*})}$ lower-bound, showing that our dependence on $κ_*$ is optimal.

In this paper, we study an online regularized learning algorithm in a reproducing kernel Hilbert spaces (RKHS) based on a class of dependent processes. We choose such a process where the degree of dependence is measured by mixing coefficients. As a representative example, we analyze a strictly stationary Markov chain, where the dependence structure is characterized by the \(ϕ\)- and \(β\)-mixing coefficients. Under these assumptions, we derive probabilistic upper bounds as well as convergence rates for both the exponential and polynomial decay of the mixing coefficients.

We study dynamic regret in online convex optimization, where the objective is to achieve low cumulative loss relative to an arbitrary benchmark sequence. By observing that competing with an arbitrary sequence of comparators $u_{1},\ldots,u_{T}$ in $\mathcal{W}\subseteq\mathbb{R}^{d}$ is equivalent to competing with a fixed comparator function $u:[1,T]\to \mathcal{W}$, we frame dynamic regret minimization as a static regret problem in a function space. By carefully constructing a suitable function space in the form of a Reproducing Kernel Hilbert Space (RKHS), our reduction enables us to recover the optimal $R_{T}(u_{1},\ldots,u_{T}) = \mathcal{O}(\sqrt{\sum_{t}\|u_{t}-u_{t-1}\|T})$ dynamic regret guarantee in the setting of linear losses, and yields new scale-free and directionally-adaptive dynamic regret guarantees. Moreover, unlike prior dynamic-to-static reductions -- which are valid only for linear losses -- our reduction holds for any sequence of losses, allowing us to recover $\mathcal{O}\big(\|u\|^2+d_{\mathrm{eff}}(λ)\ln T\big)$ bounds in exp-concave and improper linear regression settings, where $d_{\mathrm{eff}}(λ)$ is a measure of complexity of the RKHS. Despite working in an infinite-dimensional space, the resulting reduction leads to algorithms that are computable in practice, due to the reproducing property of RKHSs.

A celebrated result of Pollard proves asymptotic consistency for $k$-means clustering when the population distribution has finite variance. In this work, we point out that the population-level $k$-means clustering problem is, in fact, well-posed under the weaker assumption of a finite expectation, and we investigate whether some form of asymptotic consistency holds in this setting. As we illustrate in a variety of negative results, the complete story is quite subtle; for example, the empirical $k$-means cluster centers may fail to converge even if there exists a unique set of population $k$-means cluster centers. A detailed analysis of our negative results reveals that inconsistency arises because of an extreme form of cluster imbalance, whereby the presence of outlying samples leads to some empirical $k$-means clusters possessing very few points. We then give a collection of positive results which show that some forms of asymptotic consistency, under only the assumption of finite expectation, may be recovered by imposing some a priori degree of balance among the empirical $k$-means clusters.

Stochastic optimal control (SOC) has recently emerged as a principled framework for fine-tuning diffusion models. However, its dependence on computationally intensive simulations makes it impractical for fast sampling. In parallel, a class of training-free approaches has been developed that guides diffusion models using off-the-shelf classifiers on predicted clean samples, bypassing the need to train classifiers on noisy data. These methods can be interpreted as approximate SOC schemes, using Tweedie's formula to estimate diffusion posteriors. In practice, however, such direct approximations can introduce significant errors, leading to unreliable guidance. In this work, we unify the strengths of both paradigms by proposing a novel training-free diffusion guidance framework based on a surrogate stochastic optimal control objective. We derive a new theoretical bound on the value function that reveals the necessity of correcting the approximate posteriors to remain faithful to the true diffusion posterior. To this end, we connect the problem with Stein variational inference, which seeks the steepest descent direction that minimizes the Kullback-Leibler discrepancy between the two posteriors. Our method, which we refer to as Stein Diffusion Guidance (SDG), introduces a principled correction mechanism and incorporates a novel running cost functional to enable effective guidance in low-density regions. Experiments on challenging molecular generation tasks demonstrate that SDG significantly outperforms standard training-free guidance methods, highlighting its potential for broader applications.

Vehicle platooning, with vehicles traveling in close formation coordinated through Vehicle-to-Everything (V2X) communications, offers significant benefits in fuel efficiency and road utilization. However, it is vulnerable to sophisticated falsification attacks by authenticated insiders that can destabilize the formation and potentially cause catastrophic collisions. This paper addresses this challenge: misbehavior detection in vehicle platooning systems. We present AttentionGuard, a transformer-based framework for misbehavior detection that leverages the self-attention mechanism to identify anomalous patterns in mobility data. Our proposal employs a multi-head transformer-encoder to process sequential kinematic information, enabling effective differentiation between normal mobility patterns and falsification attacks across diverse platooning scenarios, including steady-state (no-maneuver) operation, join, and exit maneuvers. Our evaluation uses an extensive simulation dataset featuring various attack vectors (constant, gradual, and combined falsifications) and operational parameters (controller types, vehicle speeds, and attacker positions). Experimental results demonstrate that AttentionGuard achieves up to 0.95 F1-score in attack detection, with robust performance maintained during complex maneuvers. Notably, our system performs effectively with minimal latency (100ms decision intervals), making it suitable for real-time transportation safety applications. Comparative analysis reveals superior detection capabilities and establishes the transformer-encoder as a promising approach for securing Cooperative Intelligent Transport Systems (C-ITS) against sophisticated insider threats.

Embedding projections are popular for visualizing large datasets and models. However, people often encounter "friction" when using embedding visualization tools: (1) barriers to adoption, e.g., tedious data wrangling and loading, scalability limits, no integration of results into existing workflows, and (2) limitations in possible analyses, without integration with external tools to additionally show coordinated views of metadata. In this paper, we present Embedding Atlas, a scalable, interactive visualization tool designed to make interacting with large embeddings as easy as possible. Embedding Atlas uses modern web technologies and advanced algorithms -- including density-based clustering, and automated labeling -- to provide a fast and rich data analysis experience at scale. We evaluate Embedding Atlas with a competitive analysis against other popular embedding tools, showing that Embedding Atlas's feature set specifically helps reduce friction, and report a benchmark on its real-time rendering performance with millions of points. Embedding Atlas is available as open source to support future work in embedding-based analysis.

Quantitative Structure-Activity Relationship ( QSAR) modeling is key in drug discovery, but classical methods face limitations when handling high-dimensional data and capturing complex molecular interactions. This research proposes enhancing QSAR techniques through Quantum Support Vector Machines ( QSVMs), which leverage quantum computing principles to process information in Hilbert spaces. By using quantum data encoding and quantum kernel functions, we aim to develop more accurate and efficient predictive models.

Monte-Carlo tree search (MCTS) has driven many recent breakthroughs in deep reinforcement learning (RL). However, scaling MCTS to parallel compute has proven challenging in practice which has motivated alternative planners like sequential Monte-Carlo (SMC). Many of these SMC methods adopt particle filters for smoothing through a reformulation of RL as a policy inference problem. Yet, persisting design choices of these particle filters often conflict with the aim of online planning in RL, which is to obtain a policy improvement at the start of planning. Drawing inspiration from MCTS, we tailor SMC planners specifically for RL by improving data generation within the planner through constrained action sampling and explicit terminal state handling, as well as improving policy and value target estimation. This leads to our Trust-Region Twisted SMC (TRT-SMC), which shows improved runtime and sample-efficiency over baseline MCTS and SMC methods in both discrete and continuous domains.