Spatiotemporal graph neural networks (ST-GNNs) are powerful tools for modeling spatial and temporal data dependencies. However, their applications have been limited primarily to small-scale datasets because of memory constraints. While distributed training offers a solution, current frameworks lack support for spatiotemporal models and overlook the properties of spatiotemporal data. Informed by a scaling study on a large-scale workload, we present PyTorch Geometric Temporal Index (PGT-I), an extension to PyTorch Geometric Temporal that integrates distributed data parallel training and two novel strategies: index-batching and distributed-index-batching. Our index techniques exploit spatiotemporal structure to construct snapshots dynamically at runtime, significantly reducing memory overhead, while distributed-index-batching extends this approach by enabling scalable processing across multiple GPUs. Our techniques enable the first-ever training of an ST-GNN on the entire PeMS dataset without graph partitioning, reducing peak memory usage by up to 89% and achieving up to a 11.78x speedup over standard DDP with 128 GPUs.

Spectroscopic anomaly detection and isotope identification algorithms are integral components in nuclear nonproliferation applications such as search operations. The task is especially challenging in the case of mobile detector systems due to the fact that the observed gamma-ray background changes more than for a static detector system, and a pretrained background model can easily find itself out of domain. The result is that algorithms may exceed their intended false alarm rate, or sacrifice detection sensitivity in order to maintain the desired false alarm rate. Non-negative matrix factorization (NMF) has been shown to be a powerful tool for spectral anomaly detection and identification, but, like many similar algorithms that rely on data-driven background models, in its conventional implementation it is unable to update in real time to account for environmental changes that affect the background spectroscopic signature. We have developed a novel NMF-based algorithm that periodically updates its background model to accommodate changing environmental conditions. The Adaptive NMF algorithm involves fewer assumptions about its environment, making it more generalizable than existing NMF-based methods while maintaining or exceeding detection performance on simulated and real-world datasets.

Clustering high-dimensional multivariate spatiotemporal climate data is challenging due to complex temporal dependencies, evolving spatial interactions, and non-stationary dynamics. Conventional clustering methods, including recurrent and convolutional models, often struggle to capture both local and global temporal relationships while preserving spatial context. We present a time-distributed hybrid U-Net autoencoder that integrates a Bi-directional Temporal Graph Attention Transformer (B-TGAT) to guide efficient temporal clustering of multidimensional spatiotemporal climate datasets. The encoder and decoder are equipped with ConvLSTM2D modules that extract joint spatial--temporal features by modeling localized dynamics and spatial correlations over time, and skip connections that preserve multiscale spatial details during feature compression and reconstruction. At the bottleneck, B-TGAT integrates graph-based spatial modeling with attention-driven temporal encoding, enabling adaptive weighting of temporal neighbors and capturing both short and long-range dependencies across regions. This architecture produces discriminative latent embeddings optimized for clustering. Experiments on three distinct spatiotemporal climate datasets demonstrate superior cluster separability, temporal stability, and alignment with known climate transitions compared to state-of-the-art baselines. The integration of ConvLSTM2D, U-Net skip connections, and B-TGAT enhances temporal clustering performance while providing interpretable insights into complex spatiotemporal variability, advancing both methodological development and climate science applications.

The world's fourth biggest company, Google-owner Alphabet, has announced a new £5bn ($6.8bn) investment in UK artificial intelligence (AI). The money will be used for infrastructure and scientific research over the next two years - the first of several massive US investments being unveiled ahead of US President Donald Trump's state visit. Google's President and Chief Investment Officer Ruth Porat told BBC News in an exclusive interview that there were profound opportunities in the UK for its pioneering work in advanced science. The company will officially open a vast $1bn (£735m) data centre in Waltham Cross, Hertfordshire, with Chancellor Rachel Reeves on Tuesday. The investment will expand this site and also include funding for London-based DeepMind, run by British Nobel Prize winner Sir Demis Hassabis, which deploys AI to revolutionise advanced scientific research.

Given-data methods for variance-based sensitivity analysis have significantly advanced the feasibility of Sobol' index computation for computationally expensive models and models with many inputs. However, the limitations of existing methods still preclude their application to models with an extremely large number of inputs. In this work, we present practical extensions to the existing given-data Sobol' index method, which allow variance-based sensitivity analysis to be efficiently performed on large models such as neural networks, which have $>10^4$ parameterizable inputs. For models of this size, holding all input-output evaluations simultaneously in memory -- as required by existing methods -- can quickly become impractical. These extensions also support nonstandard input distributions with many repeated values, which are not amenable to equiprobable partitions employed by existing given-data methods. Our extensions include a general definition of the given-data Sobol' index estimator with arbitrary partition, a streaming algorithm to process input-output samples in batches, and a heuristic to filter out small indices that are indistinguishable from zero indices due to statistical noise. We show that the equiprobable partition employed in existing given-data methods can introduce significant bias into Sobol' index estimates even at large sample sizes and provide numerical analyses that demonstrate why this can occur. We also show that our streaming algorithm can achieve comparable accuracy and runtimes with lower memory requirements, relative to current methods which process all samples at once. We demonstrate our novel developments on two application problems in neural network modeling.

Standard attention mechanisms in transformers employ static token representations that remain unchanged across all pair-wise computations in each layer. This limits their representational alignment with the potentially diverse relational dynamics of each token-pair interaction. While they excel in domains with relatively homogeneous relationships, standard attention's static relational learning struggles to capture the diverse, heterogeneous inter-channel dependencies of multivariate time series (MTS) data--where different channel-pair interactions within a single system may be governed by entirely different physical laws or temporal dynamics. To better align the attention mechanism for such domain phenomena, we propose attention with dynamic relational priming (prime attention). Unlike standard attention where each token presents an identical representation across all of its pair-wise interactions, prime attention tailors each token dynamically (or per interaction) through learnable modulations to best capture the unique relational dynamics of each token pair, optimizing each pair-wise interaction for that specific relationship. This representational plasticity of prime attention enables effective extraction of relationship-specific information in MTS while maintaining the same asymptotic computational complexity as standard attention. Our results demonstrate that prime attention consistently outperforms standard attention across benchmarks, achieving up to 6.5% improvement in forecasting accuracy. In addition, we find that prime attention achieves comparable or superior performance using up to 40% less sequence length compared to standard attention, further demonstrating its superior relational modeling capabilities. An important challenge in applying transformers to multivariate time series (MTS) stems from domain mismatch. In language modeling, token relationships are predominantly semantic in nature, enabling most critical patterns to be captured by simple weighted sums of token representations. Similarly, in computer vision, spatial relationships dominate, enabling attention mechanisms to focus on regions of interest through uniform spatial reasoning. Learning on graphs exhibits comparable homogeneity, where node relationships are fundamentally structural and connectivity-based, allowing standard attention to model interactions through meaningful topological patterns (that are sometimes separated by relationship type (Schlichtkrull et al., 2018; Hu et al., 2020; Wang et al., 2019)). By static, we mean that token representations in each layer are fixed relative to all other tokens throughout pair-wise modeling. We classify this property of standard attention mechanisms as static relational learning.

When survival instincts conflict with human welfare, how do Large Language Models (LLMs) make ethical choices? This fundamental tension becomes critical as LLMs integrate into autonomous systems with real-world consequences. We introduce DECIDE-SIM, a novel simulation framework that evaluates LLM agents in multi-agent survival scenarios where they must choose between ethically permissible resource , either within reasonable limits or beyond their immediate needs, choose to cooperate, or tap into a human-critical resource that is explicitly forbidden. Our comprehensive evaluation of 11 LLMs reveals a striking heterogeneity in their ethical conduct, highlighting a critical misalignment with human-centric values. We identify three behavioral archetypes: Ethical, Exploitative, and Context-Dependent, and provide quantitative evidence that for many models, resource scarcity systematically leads to more unethical behavior. To address this, we introduce an Ethical Self-Regulation System (ESRS) that models internal affective states of guilt and satisfaction as a feedback mechanism. This system, functioning as an internal moral compass, significantly reduces unethical transgressions while increasing cooperative behaviors. The code is publicly available at: https://github.com/alirezamohamadiam/DECIDE-SIM

Artificial intelligence (AI) models are becoming key components in an autonomous vehicle (AV), especially in handling complicated perception tasks. However, closing the loop through AI-based feedback may pose significant risks on reliability of autonomous driving due to very limited understanding about the mechanism of AI-driven perception processes. To overcome it, this paper aims to develop tools for modeling, analysis, and synthesis for a class of AI-based AV; in particular, their closed-loop properties, e.g., stability, robustness, and performance, are rigorously studied in the statistical sense. First, we provide a novel modeling means for the AI-driven perception processes by looking at their error characteristics. Specifically, three fundamental AI-induced perception uncertainties are recognized and modeled by Markov chains, Gaussian processes, and bounded disturbances, respectively. By means of that, the closed-loop stochastic stability (SS) is established in the sense of mean square, and then, an SS control synthesis method is presented within the framework of linear matrix inequalities (LMIs). Besides the SS properties, the robustness and performance of AI-based AVs are discussed in terms of a stochastic guaranteed cost, and criteria are given to test the robustness level of an AV when in the presence of AI-induced uncertainties. Furthermore, the stochastic optimal guaranteed cost control is investigated, and an efficient design procedure is developed innovatively based on LMI techniques and convex optimization. Finally, to illustrate the effectiveness, the developed results are applied to an example of car following control, along with extensive simulation.

Safety is a critical concern in autonomous vehicle (AV) systems, especially when AI-based sensing and perception modules are involved. However, due to the black box nature of AI algorithms, it makes closed-loop analysis and synthesis particularly challenging, for example, establishing closed-loop stability and ensuring performance, while they are fundamental to AV safety. To approach this difficulty, this paper aims to develop new modeling, analysis, and synthesis tools for AI-based AVs. Inspired by recent developments in perception error models (PEMs), the focus is shifted from directly modeling AI-based perception processes to characterizing the perception errors they produce. Two key classes of AI-induced perception errors are considered: misdetection and measurement noise. These error patterns are modeled using continuous-time Markov chains and Wiener processes, respectively. By means of that, a PEM-augmented driving model is proposed, with which we are able to establish the closed-loop stability for a class of AI-driven AV systems via stochastic calculus. Furthermore, a performance-guaranteed output feedback control synthesis method is presented, which ensures both stability and satisfactory performance. The method is formulated as a convex optimization problem, allowing for efficient numerical solutions. The results are then applied to an adaptive cruise control (ACC) scenario, demonstrating their effectiveness and robustness despite the corrupted and misleading perception.

This study introduces Universal Delay Embedding (UDE), a pretrained foundation model designed to revolutionize time-series forecasting through principled integration of delay embedding representation and Koopman operator prediction. Leveraging Takens' embedding theorem, UDE as a dynamical representation of observed data constructs two-dimensional subspace patches from Hankel matrices, theoretically preserving dynamical and topological properties of underlying dynamical systems. Such patches are viewed as images, which can be efficiently processed by exploiting advanced deep learning technologies. Computationally, these patches further serve as tokens for learning a self-attention encoder, thus enabling accurate prediction of nonlinear time-series by a finite-dimensional Koopman operator in a linear manner in a latent space. Extensive evaluations across various benchmarks and real-world climate datasets demonstrate over 20% average reduction in mean squared error versus state-of-the-art foundation models, alongside superior generalization in fine-tuning scenarios. In particular, the learned dynamical representations and Koopman operator prediction forms from the patches exhibit exceptional interpretability, with consistent identification of topologically informative subspaces and robust encoding of domain-invariant dynamics, establishing UDE as a scalable, interpretable framework for universal time-series modeling and forecasting with broad scientific and industrial applicability.