What is the shortest path between two data points lying in a high-dimensional space? While the answer is trivial in Euclidean geometry, it becomes significantly more complex when the data lies on a curved manifold -- requiring a Riemannian metric to describe the space's local curvature. Estimating such a metric, however, remains a major challenge in high dimensions. In this work, we propose a method for deriving Riemannian metrics directly from pretrained Energy-Based Models (EBMs) -- a class of generative models that assign low energy to high-density regions. These metrics define spatially varying distances, enabling the computation of geodesics -- shortest paths that follow the data manifold's intrinsic geometry. We introduce two novel metrics derived from EBMs and show that they produce geodesics that remain closer to the data manifold and exhibit lower curvature distortion, as measured by alignment with ground-truth trajectories. We evaluate our approach on increasingly complex datasets: synthetic datasets with known data density, rotated character images with interpretable geometry, and high-resolution natural images embedded in a pretrained VAE latent space. Our results show that EBM-derived metrics consistently outperform established baselines, especially in high-dimensional settings. Our work is the first to derive Riemannian metrics from EBMs, enabling data-aware geodesics and unlocking scalable, geometry-driven learning for generative modeling and simulation.

In this work, we introduce metrics to evaluate the use of simplified time series in the context of interpretability of a TSC -- a Time Series Classifier. Such simplifications are important because time series data, in contrast to text and image data, are not intuitively under- standable to humans. These metrics are related to the complexity of the simplifications -- how many segments they contain -- and to their loyalty -- how likely they are to maintain the classification of the original time series. We focus on simplifications that select a subset of the original data points, and show that these typically have high Shapley value, thereby aiding interpretability. We employ these metrics to experimentally evaluate four distinct simplification algorithms, across several TSC algorithms and across datasets of varying characteristics, from seasonal or stationary to short or long. We subsequently perform a human-grounded evaluation with forward simulation, that confirms also the practical utility of the introduced metrics to evaluate the use of simplifications in the context of interpretability of TSC. Our findings are summarized in a framework for deciding, for a given TSC, if the various simplifications are likely to aid in its interpretability.

The growing luminosity frontier at the Large Hadron Collider is challenging the reconstruction and analysis of particle collision events. Increased particle multiplicities are straining latency and storage requirements at the data acquisition stage, while new complications are emerging, including higher background levels and more frequent particle vertex misassociations. This in turn necessitates the development of more holistic and scalable reconstruction methods that take advantage of recent advances in machine learning. We propose a novel Heterogeneous Graph Neural Network (HGNN) architecture featuring unique representations for diverse particle collision relationships and integrated graph pruning layers for scalability. Trained with a multi-task paradigm in an environment mimicking the LHCb experiment, this HGNN significantly improves the beauty hadron reconstruction performance. Notably, it concurrently performs particle vertex association and graph pruning within a single framework. We quantify the reconstruction and pruning performance, demonstrate enhanced inference time scaling with event complexity, and mitigate potential performance loss using a weighted message passing scheme.

The discovery of effective molecular modulators is essential for advancing perovskite solar cells (PSCs), but the research process is hindered by the vastness of chemical space and the time-consuming and expensive trial-and-error experimental screening. Concurrently, machine learning (ML) offers significant potential for accelerating materials discovery. However, applying ML to PSCs remains a major challenge due to data scarcity and limitations of traditional quantitative structure-property relationship (QSPR) models. Here, we apply a chemical informed transfer learning framework based on pre-trained deep neural networks, which achieves high accuracy in predicting the molecular modulator's effect on the power conversion efficiency (PCE) of PSCs. This framework is established through systematical benchmarking of diverse molecular representations, enabling lowcost and high-throughput virtual screening over 79,043 commercially available molecules. Furthermore, we leverage interpretability techniques to visualize the learned chemical representation and experimentally characterize the resulting modulator-perovskite interactions. The top molecular modulators identified by the framework are subsequently validated experimentally, delivering a remarkably improved champion PCE of 26.91% in PSCs.

The vision community is undergoing the unprecedented progress with the emergence of Vision-Language Pretrain-ing Models (VLMs). Prompt learning plays as the holy grail of accessing VLMs since it enables their fast adaptation to downstream tasks with limited resources. Whereas existing researches milling around single-prompt paradigms, rarely investigate the technical potential behind their multi-prompt learning counterparts. This paper aims to provide a principled retrospect for vision-language multi-prompt learning. W e extend the recent constant modality gap phenomenon to learnable prompts and then, justify the superiority of vision-language transfer with multi-prompt augmentation, empirically and theoretically. In terms of this observation, we propose an Energy-based Multi-prompt Learning (EMPL) to generate multiple prompt embeddings by drawing instances from an energy-based distribution, which is implicitly defined by VLMs. So our EMPL is not only parameter-efficient but also rigorously lead to the balance between in-domain and out-of-domain open-vocabulary generalization. Comprehensive experiments have been conducted to justify our claims and the excellence of EMPL.

Recent studies in long video understanding have harnessed the advanced visual-language reasoning capabilities of Large Multimodal Models (LMMs), driving the evolution of video-LMMs specialized for processing extended video sequences. However, the scalability of these models is severely limited by the overwhelming volume of visual tokens generated from extended video sequences. To address this challenge, this paper proposes FLoC, an efficient visual token compression framework based on the facility location function, a principled approach that swiftly selects a compact yet highly representative and diverse subset of visual tokens within a predefined budget on the number of visual tokens. By integrating the lazy greedy algorithm, our method achieves remarkable efficiency gains by swiftly selecting a compact subset of tokens, drastically reducing the number of visual tokens while guaranteeing near-optimal performance. Notably, our approach is training-free, model-agnostic, and query-agnostic, providing a versatile solution that seamlessly integrates with diverse video-LLMs and existing workflows. Extensive evaluations on large-scale benchmarks, such as Video-MME, MLVU, and LongVideoBench, demonstrate that our framework consistently surpasses recent compression techniques, highlighting not only its effectiveness and robustness in addressing the critical challenges of long video understanding, but also its efficiency in processing speed.

Efforts to green cities for cooling are succeeding unevenly because the same vegetation that cools surfaces can also intensify how hot the air feels. Previous studies have identified humid heat as a growing urban hazard, yet how physiologically active vegetation governs this trade-off between cooling and moisture accumulation remains poorly understood, leaving mitigation policy and design largely unguided. Here we quantify how vegetation structure and function influence the Heat Index (HI), a combined measure of temperature and humidity in 138 Indian cities spanning tropical savanna, semi-arid steppe, and humid subtropical climates, and across dense urban cores and semi-urban rings. Using an extreme-aware, one kilometre reconstruction of HI and an interpretable machine-learning framework that integrates SHapley Additive Explanations (SHAP) and Accumulated Local Effects (ALE), we isolate vegetation-climate interactions. Cooling generally strengthens for EVI >= 0.4 and LAI >= 0.05, but joint-high regimes begin to reverse toward warming when EVI >= 0.5, LAI >= 0.2, and fPAR >= 0.5,with an earlier onset for fPAR >= 0.25 in humid, dense cores. In such environments, highly physiologically active vegetation elevates near-surface humidity faster than it removes heat, reversing its cooling effect and amplifying perceived heat stress. These findings establish the climatic limits of vegetation-driven cooling and provide quantitative thresholds for climate-specific greening strategies that promote equitable and heat-resilient cities.

The optimization-based damage detection and damage state digital twinning capabilities are examined here of a novel conditional-labeled generative adversarial network methodology. The framework outperforms current approaches for fault anomaly detection as no prior information is required for the health state of the system: a topic of high significance for real-world applications. Specifically, current artificial intelligence-based digital twinning approaches suffer from the uncertainty related to obtaining poor predictions when a low number of measurements is available, physics knowledge is missing, or when the damage state is unknown. To this end, an unsupervised framework is examined and validated rigorously on the benchmark structural health monitoring measurements of Z24 Bridge: a post-tensioned concrete highway bridge in Switzerland. In implementing the approach, firstly, different same damage-level measurements are used as inputs, while the model is forced to converge conditionally to two different damage states. Secondly, the process is repeated for a different group of measurements. Finally, the convergence scores are compared to identify which one belongs to a different damage state. The process for both healthy-to-healthy and damage-to-healthy input data creates, simultaneously, measurements for digital twinning purposes at different damage states, capable of pattern recognition and machine learning data generation. Further to this process, a support vector machine classifier and a principal component analysis procedure is developed to assess the generated and real measurements of each damage category, serving as a secondary new dynamics learning indicator in damage scenarios. Importantly, the approach is shown to capture accurately damage over healthy measurements, providing a powerful tool for vibration-based system-level monitoring and scalable infrastructure resilience.

Graph incremental learning (GIL), which continuously updates graph models by sequential knowledge acquisition, has garnered significant interest recently. However, existing GIL approaches focus on task-incremental and class-incremental scenarios within a single domain. Graph domain-incremental learning (Domain-IL), aiming at updating models across multiple graph domains, has become critical with the development of graph foundation models (GFMs), but remains unexplored in the literature. In this paper, we propose Graph Domain-Incremental Learning via Knowledge Dientanglement and Preservation (GraphKeeper), to address catastrophic forgetting in Domain-IL scenario from the perspectives of embedding shifts and decision boundary deviations. Specifically, to prevent embedding shifts and confusion across incremental graph domains, we first propose the domain-specific parameter-efficient fine-tuning together with intra- and inter-domain disentanglement objectives. Consequently, to maintain a stable decision boundary, we introduce deviation-free knowledge preservation to continuously fit incremental domains. Additionally, for graphs with unobservable domains, we perform domain-aware distribution discrimination to obtain precise embeddings. Extensive experiments demonstrate the proposed GraphKeeper achieves state-of-the-art results with 6.5%~16.6% improvement over the runner-up with negligible forgetting. Moreover, we show GraphKeeper can be seamlessly integrated with various representative GFMs, highlighting its broad applicative potential.

Test-Time Scaling (TTS) improves large language models (LLMs) by allocating additional computation during inference, typically through parallel, sequential, or hybrid scaling. However, prior studies often assume fixed collaboration architectures (e.g., topologies) and single-model usage, overlooking that optimal architectures and model combinations can vary across tasks. Therefore, we study the novel problem of searching for compute-optimal model combinations and architectures in TTS under a fixed budget. We formalize it as a multi-LLM collaboration graph, where nodes encode roles and LLM model assignments, and edges capture information flow. This problem is challenging because (i) the combinatorial search space is prohibitively large, and (ii) task-specific requirements demand tailored designs. To address these, we reformulate the problem as probabilistic graph optimization and, through pilot experiments, derive three empirical insights into TTS collaboration graphs. Guided by these insights, we propose Agent-REINFORCE, an LLM-agent-augmented framework that mirrors the REINFORCE pipeline by mapping sampling-gradient-update to sampling-feedback-update, where feedback serves as a textual gradient to update the probabilistic graph and efficiently search for optimal multi-LLM collaboration graphs. Experiments show that Agent-REINFORCE outperforms both traditional and LLM-based baselines in sample efficiency and search performance, and effectively identifies optimal graphs under joint objectives of accuracy and inference latency.