Trajectory similarity is fundamental to many spatio-temporal data mining applications. Recent studies propose deep learning models to approximate conventional trajectory similarity measures, exploiting their fast inference time once trained. Although efficient inference has been reported, challenges remain in similarity approximation accuracy due to difficulties in trajectory granularity modeling and in exploiting similarity signals in the training data. To fill this gap, we propose TSMini, a highly effective trajectory similarity model with a sub-view modeling mechanism capable of learning multi-granularity trajectory patterns and a k nearest neighbor-based loss that guides TSMini to learn not only absolute similarity values between trajectories but also their relative similarity ranks. Together, these two innovations enable highly accurate trajectory similarity approximation. Experiments show that TSMini can outperform the state-of-the-art models by 22% in accuracy on average when learning trajectory similarity measures.

In physics and engineering, many processes are modeled using non-differentiable black-box simulators, making the optimization of such functions particularly challenging. To address such cases, inspired by the Gradient Theorem, we propose locality-aware surrogate models for active model-based black-box optimization. We first establish a theoretical connection between gradient alignment and the minimization of a Gradient Path Integral Equation (GradPIE) loss, which enforces consistency of the surrogate's gradients in local regions of the design space. Leveraging this theoretical insight, we develop a scalable training algorithm that minimizes the GradPIE loss, enabling both offline and online learning while maintaining computational efficiency. We evaluate our approach on three real-world tasks - spanning automated in silico experiments such as coupled nonlinear oscillators, analog circuits, and optical systems - and demonstrate consistent improvements in optimization efficiency under limited query budgets. Our results offer dependable solutions for both offline and online optimization tasks where reliable gradient estimation is needed.

P300 is an Event-Related Potential widely used in Brain-Computer Interfaces, but its detection is challenging due to inter-subject and temporal variability. This work introduces a clustering methodology based on Normalized Compression Distance (NCD) to extract the P300 structure, ensuring robustness against variability. We propose a novel signal-to-ASCII transformation to generate compression-friendly objects, which are then clustered using a hierarchical tree-based method and a multidimensional projection approach. Experimental results on two datasets demonstrate the method's ability to reveal relevant P300 structures, showing clustering performance comparable to state-of-the-art approaches. Furthermore, analysis at the electrode level suggests that the method could assist in electrode selection for P300 detection. This compression-driven clustering methodology offers a complementary tool for EEG analysis and P300 identification.

Zeroth-order (ZO) optimization has emerged as a promising alternative to gradient-based backpropagation methods, particularly for black-box optimization and large language model (LLM) fine-tuning. However, ZO methods suffer from slow convergence due to high-variance stochastic gradient estimators. While structured perturbations, such as sparsity and low-rank constraints, have been explored to mitigate these issues, their effectiveness remains highly under-explored. In this work, we develop a unified theoretical framework that analyzes both the convergence and generalization properties of ZO optimization under structured perturbations. We show that high dimensionality is the primary bottleneck and introduce the notions of \textit{stable rank} and \textit{effective overlap} to explain how structured perturbations reduce gradient noise and accelerate convergence. Using the uniform stability under our framework, we then provide the first theoretical justification for why these perturbations enhance generalization. Additionally, through empirical analysis, we identify that \textbf{block coordinate descent} (BCD) to be an effective structured perturbation method. Extensive experiments show that, compared to existing alternatives, memory-efficient ZO (MeZO) with BCD (\textit{MeZO-BCD}) can provide improved converge with a faster wall-clock time/iteration by up to $\times\textbf{2.09}$ while yielding similar or better accuracy.

Efficient sampling of unnormalized probability densities such as the Boltzmann distribution of molecular systems is a longstanding challenge. Next to conventional approaches like molecular dynamics or Markov chain Monte Carlo, variational approaches, such as training normalizing flows with the reverse Kullback-Leibler divergence, have been introduced. However, such methods are prone to mode collapse and often do not learn to sample the full configurational space. Here, we present temperature-annealed Boltzmann generators (TA-BG) to address this challenge. First, we demonstrate that training a normalizing flow with the reverse Kullback-Leibler divergence at high temperatures is possible without mode collapse. Furthermore, we introduce a reweighting-based training objective to anneal the distribution to lower target temperatures. We apply this methodology to three molecular systems of increasing complexity and, compared to the baseline, achieve better results in almost all metrics while requiring up to three times fewer target energy evaluations. For the largest system, our approach is the only method that accurately resolves the metastable states of the system.

This paper introduces a secure communication architecture for Unmanned Aerial Vehicles (UAVs) and ground stations in 5G networks, addressing critical challenges in network security. The proposed solution integrates the Advanced Encryption Standard (AES) with Elliptic Curve Cryptography (ECC) and CRYSTALS-Kyber for key encapsulation, offering a hybrid cryptographic approach. By incorporating CRYSTALS-Kyber, the framework mitigates vulnerabilities in ECC against quantum attacks, positioning it as a quantum-resistant alternative. The architecture is based on a server-client model, with UAVs functioning as clients and the ground station acting as the server. The system was rigorously evaluated in both VPN and 5G environments. Experimental results confirm that CRYSTALS-Kyber delivers strong protection against quantum threats with minimal performance overhead, making it highly suitable for UAVs with resource constraints. Moreover, the proposed architecture integrates an Artificial Intelligence (AI)-based Intrusion Detection System (IDS) to further enhance security. In performance evaluations, the IDS demonstrated strong results across multiple models with XGBoost, particularly in more demanding scenarios, outperforming other models with an accuracy of 97.33% and an AUC of 0.94. These findings underscore the potential of combining quantum-resistant encryption mechanisms with AI-driven IDS to create a robust, scalable, and secure communication framework for UAV networks, particularly within the high-performance requirements of 5G environments.

We introduce CyBeR-0, a Byzantine-resilient federated zero-order optimization method that is robust under Byzantine attacks and provides significant savings in uplink and downlink communication costs. We introduce transformed robust aggregation to give convergence guarantees for general non-convex objectives under client data heterogeneity. Empirical evaluations for standard learning tasks and fine-tuning large language models show that CyBeR-0 exhibits stable performance with only a few scalars per-round communication cost and reduced memory requirements.

The advent of artificial intelligence has significantly enhanced credit scoring technologies. Despite the remarkable efficacy of advanced deep learning models, mainstream adoption continues to favor tree-structured models due to their robust predictive performance on tabular data. Although pretrained models have seen considerable development, their application within the financial realm predominantly revolves around question-answering tasks and the use of such models for tabular-structured credit scoring datasets remains largely unexplored. Tabular-oriented large models, such as TabPFN, has made the application of large models in credit scoring feasible, albeit can only processing with limited sample sizes. This paper provides a novel framework to combine tabular-tailored dataset distillation technique with the pretrained model, empowers the scalability for TabPFN. Furthermore, though class imbalance distribution is the common nature in financial datasets, its influence during dataset distillation has not been explored. We thus integrate the imbalance-aware techniques during dataset distillation, resulting in improved performance in financial datasets (e.g., a 2.5% enhancement in AUC). This study presents a novel framework for scaling up the application of large pretrained models on financial tabular datasets and offers a comparative analysis of the influence of class imbalance on the dataset distillation process. We believe this approach can broaden the applications and downstream tasks of large models in the financial domain.

We investigate the impact of limited data on training pairwise energy-based models for inverse problems aimed at identifying interaction networks. Utilizing the Gaussian model as testbed, we dissect training trajectories across the eigenbasis of the coupling matrix, exploiting the independent evolution of eigenmodes and revealing that the learning timescales are tied to the spectral decomposition of the empirical covariance matrix. We see that optimal points for early stopping arise from the interplay between these timescales and the initial conditions of training. Moreover, we show that finite data corrections can be accurately modeled through asymptotic random matrix theory calculations and provide the counterpart of generalized cross-validation in the energy based model context. Our analytical framework extends to binary-variable maximum-entropy pairwise models with minimal variations. These findings offer strategies to control overfitting in discrete-variable models through empirical shrinkage corrections, improving the management of overfitting in energy-based generative models.

Despite the great performance of deep learning models in many areas, they still make mistakes and underperform on certain subsets of data, i.e. error slices. Given a trained model, it is important to identify its semantically coherent error slices that are easy to interpret, which is referred to as the error slice discovery problem. However, there is no proper metric of slice coherence without relying on extra information like predefined slice labels. Current evaluation of slice coherence requires access to predefined slices formulated by metadata like attributes or subclasses. Its validity heavily relies on the quality and abundance of metadata, where some possible patterns could be ignored. Besides, current algorithms cannot directly incorporate the constraint of coherence into their optimization objective due to the absence of an explicit coherence metric, which could potentially hinder their effectiveness. In this paper, we propose manifold compactness, a coherence metric without reliance on extra information by incorporating the data geometry property into its design, and experiments on typical datasets empirically validate the rationality of the metric. Then we develop Manifold Compactness based error Slice Discovery (MCSD), a novel algorithm that directly treats risk and coherence as the optimization objective, and is flexible to be applied to models of various tasks. Extensive experiments on the benchmark and case studies on other typical datasets demonstrate the superiority of MCSD.