Safety verification ensures that a system avoids undesired behaviour. Liveness complements safety, ensuring that the system also achieves its desired objectives. A complete specification of functional correctness must combine both safety and liveness. Proving with mathematical certainty that a system satisfies a safety property demands presenting an appropriate inductive invariant of the system, whereas proving liveness requires showing a measure of progress witnessed by a ranking function. Neural model checking has recently introduced a data-driven approach to the formal verification of reactive systems, albeit focusing on ranking functions and thus addressing liveness properties only.

Large Language Models (LLMs) have achieved significant performance gains through test-time scaling methods. However, existing approaches often incur redundant computations due to the accumulation of historical dependency information during inference. To address this challenge, we leverage the memoryless property of Markov processes to minimize reliance on historical context and propose a Markovian reasoning process. This foundational Markov chain structure enables seamless integration with various test-time scaling methods, thereby improving their scaling efficiency. By further scaling up the Markovian reasoning chain through integration with techniques such as tree search and reflective refinement, we uncover an emergent atomic reasoning structure, where reasoning trajectories are decomposed into a series of self-contained, low-complexity atomic units. We name this design Atom of Thoughts (AOT). Extensive experiments demonstrate that AOT consistently outperforms existing baselines as computational budgets increase. Importantly, AOT integrates seamlessly with existing reasoning frameworks and different LLMs (both reasoning and non-reasoning), facilitating scalable, high-performance inference.We submit our code alongside this paper and will make it publicly available to facilitate reproducibility and future research.

In networked multi-agent reinforcement learning (Networked-MARL), decentralized agents must act autonomously under local observability and constrained communication over fixed physical graphs. Existing methods often assume static neighborhoods, limiting adaptability to dynamic or heterogeneous environments. While centralized frameworks can learn dynamic graphs, their reliance on global state access and centralized infrastructure is impractical in real-world decentralized systems. We propose a stochastic graph-based policy for Networked-MARL, where each agent conditions its decision on a sampled subgraph over its local physical neighborhood. Building on this formulation, we introduce BayesG, a decentralized actor-critic framework that learns sparse, context-aware interaction structures via Bayesian variational inference. Each agent operates over an ego-graph and samples a latent communication mask to guide message passing and policy computation. The variational distribution is trained end-to-end alongside the policy using an evidence lower bound (ELBO) objective, enabling agents to jointly learn both interaction topology and decision-making strategies. BayesG outperforms strong MARL baselines on large-scale traffic control tasks with up to 167 agents, demonstrating superior scalability, efficiency, and performance.

Random splitting of datasets in image segmentation often leads to unrepresentative test sets, resulting in biased evaluations and poor model generalization. While stratified sampling has proven effective for addressing label distribution imbalance in classification tasks, extending these ideas to segmentation remains challenging due to the multi-label structure and class imbalance typically present in such data. Building on existing stratification concepts, we introduce Iterative Pixel Stratification (IPS), a straightforward, label-aware sampling method tailored for segmentation tasks. Additionally, we present Wasserstein-Driven Evolutionary Stratification (WDES), a novel genetic algorithm designed to minimize the Wasserstein distance, thereby optimizing the similarity of label distributions across dataset splits. We prove that WDES is globally optimal given enough generations. Using newly proposed statistical heterogeneity metrics, we evaluate both methods against random sampling and find that WDES consistently produces more representative splits. Applying WDES across diverse segmentation tasks, including street scenes, medical imaging, and satellite imagery, leads to lower performance variance and improved model evaluation. Our results also highlight the particular value of WDES in handling small, imbalanced, and low-diversity datasets, where conventional splitting strategies are most prone to bias.

Accelerating inverse design of crystalline materials with generative models has significant implications for a range of technologies. Unlike other atomic systems, 3D crystals are invariant to discrete groups of isometries called the space groups. Crucially, these space group symmetries are known to heavily influence materials properties. We propose SGEquiDiff, a crystal generative model which naturally handles space group constraints with space group invariant likelihoods. SGEquiDiff consists of an SE(3)-invariant, telescoping discrete sampler of crystal lattices; permutation-invariant, transformer-based autoregressive sampling of Wyckoff positions, elements, and numbers of symmetrically unique atoms; and space group equivariant diffusion of atomic coordinates. We show that space group equivariant vector fields automatically live in the tangent spaces of the Wyckoff positions. SGEquiDiff achieves state-of-the-art performance on standard benchmark datasets as assessed by quantitative proxy metrics and quantum mechanical calculations.

While deep learning models often achieve high predictive accuracy, their predictions typically do not come with any provable guarantees on risk or reliability, which are critical for deployment in high-stakes applications. The framework of conformal risk control (CRC) provides a distribution-free, finite-sample method for controlling the expected value of any bounded monotone loss function and can be conveniently applied post-hoc to any pre-trained deep learning model. However, many realworld applications are sensitive to tail risks, as opposed to just expected loss. In this work, we develop a method for controlling the general class of Optimized CertaintyEquivalent (OCE) risks, a broad class of risk measures which includes as special cases the expected loss (generalizing the original CRC method) and common tail risks like the conditional value-at-risk (CVaR).

Industrial Anomaly Detection (IAD) is an indispensable quality control technology in modern production processes. Recently, on account of the outstanding visual comprehension and cross-domain knowledge transfer capabilities of Multimodal Large Language Models (MLLMs), existing studies have explored the application of MLLMs in the IAD domain and established some multimodal IAD datasets. However, although the latest datasets contain various fundamental IAD tasks, they formulate tasks in a general question-and-answer format lacking a rigorous reasoning process, and they are relatively limited in the diversity of scenarios, which restricts their reliability in practical applications. In this paper, we propose AnomalyCoT, a multimodal Chain-of-Thought (CoT) dataset for multi-scenario IAD tasks. It consists of 37,565 IAD samples with the CoT data and is defined by challenging composite IAD tasks. Meanwhile, the CoT data for each sample provides precise coordinates of anomaly regions, thereby improving visual comprehension of defects across different types. AnomalyCoT is constructed through a systematic pipeline and involves multiple manual operations. Based on AnomalyCoT, we conducted a comprehensive evaluation of various mainstream MLLMs and fine-tuned representative models in different ways. The final results show that Gemini-2.0flash

Existing AutoML systems have advanced the automation of machine learning (ML); however, they still require substantial manual configuration and expert input, particularly when handling multimodal data. We introduce MLZero, a novel multi-agent framework powered by Large Language Models (LLMs) that enables end-to-end ML automation across diverse data modalities with minimal human intervention. A cognitive perception module is first employed, transforming raw multimodal inputs into perceptual context that effectively guides the subsequent workflow. To address key limitations of LLMs, such as hallucinated code generation and outdated API knowledge, we enhance the iterative code generation process with semantic and episodic memory. MLZero demonstrates superior performance on MLE-Bench Lite, outperforming all competitors in both success rate and solution quality, securing six gold medals. Additionally, when evaluated on our Multimodal AutoML Agent Benchmark, which includes 25 more challenging tasks spanning diverse data modalities, MLZero outperforms the competing methods by a large margin with a success rate of 0.92 (+263.6%)

Bayesian Optimization is a widely used method for optimizing expensive black-box functions, relying on probabilistic surrogate models such as Gaussian Processes. The quality of the surrogate model is crucial for good optimization performance, especially in the few-shot setting where only a small number of batches of points can be evaluated. In this setting, the initialization plays a critical role in shaping the surrogate's predictive quality and guiding subsequent optimization. Despite this, practitioners typically rely on (quasi-)random designs to cover the input space. However, such approaches neglect two key factors: (a) space-filling designs may not be desirable to reduce predictive uncertainty, and (b) efficient hyperparameter learning during initialization is essential for high-quality prediction, which may conflict with space-filling designs. To address these limitations, we propose Hyperparameter-Informed Predictive Exploration (HIPE), a novel acquisition strategy that balances predictive uncertainty reduction with hyperparameter learning using information-theoretic principles. We derive a closed-form expression for HIPE in the Gaussian Process setting and demonstrate its effectiveness through extensive experiments in active learning and few-shot BO. Our results show that HIPE outperforms standard initialization strategies in terms of predictive accuracy, hyperparameter identification, and subsequent optimization performance, particularly in large-batch, few-shot settings relevant to many real-world Bayesian Optimization applications.

Remote sensing is critical for disaster monitoring, yet existing datasets lack temporal image pairs and detailed textual annotations. While single-snapshot imagery dominates current resources, it fails to capture dynamic disaster impacts over time. To address this gap, we introduce the Remote Sensing Change Caption (RSCC) dataset, a large-scale benchmark comprising 62,351 pre-/post-disaster image pairs (spanning earthquakes, floods, wildfires, and more) paired with rich, human-like change captions. By bridging the temporal and semantic divide in remote sensing data, RSCC enables robust training and evaluation of vision-language models for disaster-aware bi-temporal understanding. Our results highlight RSCC's ability to facilitate detailed disaster-related analysis, paving the way for more accurate, interpretable, and scalable vision-language applications in remote sensing.