We introduce a data-driven approach to learn a generalized kinetic collision operator directly from molecular dynamics. Unlike the conventional (e.g., Landau) models, the present operator takes an anisotropic form that accounts for a second energy transfer arising from the collective interactions between the pair of collision particles and the environment. Numerical results show that preserving the broadly overlooked anisotropic nature of the collision energy transfer is crucial for predicting the plasma kinetics with non-negligible correlations, where the Landau model shows limitations.

Existing methods for graph out-of-distribution (OOD) detection typically depend on training graph neural network (GNN) classifiers using a substantial amount of labeled in-distribution (ID) data. However, acquiring high-quality labeled nodes in text-attributed graphs (TAGs) is challenging and costly due to their complex textual and structural characteristics. Large language models (LLMs), known for their powerful zero-shot capabilities in textual tasks, show promise but struggle to naturally capture the critical structural information inherent to TAGs, limiting their direct effectiveness. To address these challenges, we propose LLM-GOOD, a general framework that effectively combines the strengths of LLMs and GNNs to enhance data efficiency in graph OOD detection. Specifically, we first leverage LLMs' strong zero-shot capabilities to filter out likely OOD nodes, significantly reducing the human annotation burden. To minimize the usage and cost of the LLM, we employ it only to annotate a small subset of unlabeled nodes. We then train a lightweight GNN filter using these noisy labels, enabling efficient predictions of ID status for all other unlabeled nodes by leveraging both textual and structural information. After obtaining node embeddings from the GNN filter, we can apply informativeness-based methods to select the most valuable nodes for precise human annotation. Finally, we train the target ID classifier using these accurately annotated ID nodes. Extensive experiments on four real-world TAG datasets demonstrate that LLM-GOOD significantly reduces human annotation costs and outperforms state-of-the-art baselines in terms of both ID classification accuracy and OOD detection performance.

The integration of generative artificial intelligence (GenAI) into transportation planning has the potential to revolutionize tasks such as demand forecasting, infrastructure design, policy evaluation, and traffic simulation. However, there is a critical need for a systematic framework to guide the adoption of GenAI in this interdisciplinary domain. In this survey, we, a multidisciplinary team of researchers spanning computer science and transportation engineering, present the first comprehensive framework for leveraging GenAI in transportation planning. Specifically, we introduce a new taxonomy that categorizes existing applications and methodologies into two perspectives: transportation planning tasks and computational techniques. From the transportation planning perspective, we examine the role of GenAI in automating descriptive, predictive, generative, simulation, and explainable tasks to enhance mobility systems. From the computational perspective, we detail advancements in data preparation, domain-specific fine-tuning, and inference strategies, such as retrieval-augmented generation and zero-shot learning tailored to transportation applications. Additionally, we address critical challenges, including data scarcity, explainability, bias mitigation, and the development of domain-specific evaluation frameworks that align with transportation goals like sustainability, equity, and system efficiency. This survey aims to bridge the gap between traditional transportation planning methodologies and modern AI techniques, fostering collaboration and innovation. By addressing these challenges and opportunities, we seek to inspire future research that ensures ethical, equitable, and impactful use of generative AI in transportation planning.

Out-of-Distribution (OOD) detection is critical for ensuring the reliability of machine learning models in safety-critical applications such as autonomous driving and medical diagnosis. While deploying personalized OOD detection directly on edge devices is desirable, it remains challenging due to large model sizes and the computational infeasibility of on-device training. Federated learning partially addresses this but still requires gradient computation and backpropagation, exceeding the capabilities of many edge devices. To overcome these challenges, we propose SecDOOD, a secure cloud-device collaboration framework for efficient on-device OOD detection without requiring device-side backpropagation. SecDOOD utilizes cloud resources for model training while ensuring user data privacy by retaining sensitive information on-device. Central to SecDOOD is a HyperNetwork-based personalized parameter generation module, which adapts cloud-trained models to device-specific distributions by dynamically generating local weight adjustments, effectively combining central and local information without local fine-tuning. Additionally, our dynamic feature sampling and encryption strategy selectively encrypts only the most informative feature channels, largely reducing encryption overhead without compromising detection performance. Extensive experiments across multiple datasets and OOD scenarios demonstrate that SecDOOD achieves performance comparable to fully fine-tuned models, enabling secure, efficient, and personalized OOD detection on resource-limited edge devices. To enhance accessibility and reproducibility, our code is publicly available at https://github.com/Dystopians/SecDOOD.

Vision-Language Models (VLMs) have advanced multi-modal tasks like image captioning, visual question answering, and reasoning. However, they often generate hallucinated outputs inconsistent with the visual context or prompt, limiting reliability in critical applications like autonomous driving and medical imaging. Existing studies link hallucination to statistical biases, language priors, and biased feature learning but lack a structured causal understanding. In this work, we introduce a causal perspective to analyze and mitigate hallucination in VLMs. We hypothesize that hallucination arises from unintended direct influences of either the vision or text modality, bypassing proper multi-modal fusion. To address this, we construct a causal graph for VLMs and employ counterfactual analysis to estimate the Natural Direct Effect (NDE) of vision, text, and their cross-modal interaction on the output. We systematically identify and mitigate these unintended direct effects to ensure that responses are primarily driven by genuine multi-modal fusion. Our approach consists of three steps: (1) designing structural causal graphs to distinguish correct fusion pathways from spurious modality shortcuts, (2) estimating modality-specific and cross-modal NDE using perturbed image representations, hallucinated text embeddings, and degraded visual inputs, and (3) implementing a test-time intervention module to dynamically adjust the model's dependence on each modality. Experimental results demonstrate that our method significantly reduces hallucination while preserving task performance, providing a robust and interpretable framework for improving VLM reliability. To enhance accessibility and reproducibility, our code is publicly available at https://github.com/TREE985/Treble-Counterfactual-VLMs.

Large language models (LLMs) have been increasingly used in time series analysis. However, the potential of multimodal LLMs (MLLMs), particularly vision-language models, for time series remains largely under-explored. One natural way for humans to detect time series anomalies is through visualization and textual description. Motivated by this, we raise a critical and practical research question: Can multimodal LLMs perform time series anomaly detection? To answer this, we propose VisualTimeAnomaly benchmark to evaluate MLLMs in time series anomaly detection (TSAD). Our approach transforms time series numerical data into the image format and feed these images into various MLLMs, including proprietary models (GPT-4o and Gemini-1.5) and open-source models (LLaVA-NeXT and Qwen2-VL), each with one larger and one smaller variant. In total, VisualTimeAnomaly contains 12.4k time series images spanning 3 scenarios and 3 anomaly granularities with 9 anomaly types across 8 MLLMs. Starting with the univariate case (point- and range-wise anomalies), we extend our evaluation to more practical scenarios, including multivariate and irregular time series scenarios, and variate-wise anomalies. Our study reveals several key insights: 1) MLLMs detect range- and variate-wise anomalies more effectively than point-wise anomalies. 2) MLLMs are highly robust to irregular time series, even with 25% of the data missing. 3) Open-source MLLMs perform comparably to proprietary models in TSAD. While open-source MLLMs excel on univariate time series, proprietary MLLMs demonstrate superior effectiveness on multivariate time series. To the best of our knowledge, this is the first work to comprehensively investigate MLLMs for TSAD, particularly for multivariate and irregular time series scenarios. We release our dataset and code at https://github.com/mllm-ts/VisualTimeAnomaly to support future research.

Model Extraction Attacks (MEAs) threaten modern machine learning systems by enabling adversaries to steal models, exposing intellectual property and training data. With the increasing deployment of machine learning models in distributed computing environments, including cloud, edge, and federated learning settings, each paradigm introduces distinct vulnerabilities and challenges. Without a unified perspective on MEAs across these distributed environments, organizations risk fragmented defenses, inadequate risk assessments, and substantial economic and privacy losses. This survey is motivated by the urgent need to understand how the unique characteristics of cloud, edge, and federated deployments shape attack vectors and defense requirements. We systematically examine the evolution of attack methodologies and defense mechanisms across these environments, demonstrating how environmental factors influence security strategies in critical sectors such as autonomous vehicles, healthcare, and financial services. By synthesizing recent advances in MEAs research and discussing the limitations of current evaluation practices, this survey provides essential insights for developing robust and adaptive defense strategies. Our comprehensive approach highlights the importance of integrating protective measures across the entire distributed computing landscape to ensure the secure deployment of machine learning models.

Active Learning (AL) has been a powerful paradigm for improving model efficiency and performance by selecting the most informative data points for labeling and training. In recent active learning frameworks, Large Language Models (LLMs) have been employed not only for selection but also for generating entirely new data instances and providing more cost-effective annotations. Motivated by the increasing importance of high-quality data and efficient model training in the era of LLMs, we present a comprehensive survey on LLM-based Active Learning. We introduce an intuitive taxonomy that categorizes these techniques and discuss the transformative roles LLMs can play in the active learning loop. We further examine the impact of AL on LLM learning paradigms and its applications across various domains. Finally, we identify open challenges and propose future research directions. This survey aims to serve as an up-to-date resource for researchers and practitioners seeking to gain an intuitive understanding of LLM-based AL techniques and deploy them to new applications.

Weather forecasting is crucial for public safety, disaster prevention and mitigation, agricultural production, and energy management, with global relevance. Although deep learning has significantly advanced weather prediction, current methods face critical limitations: (i) they often struggle to capture both dynamic temporal dependencies and short-term abrupt changes, making extreme weather modeling difficult; (ii) they incur high computational costs due to extensive training and resource requirements; (iii) they have limited adaptability to multi-scale frequencies, leading to challenges when separating global trends from local fluctuations. To address these issues, we propose ClimateLLM, a foundation model for weather forecasting. It captures spatiotemporal dependencies via a cross-temporal and cross-spatial collaborative modeling framework that integrates Fourier-based frequency decomposition with Large Language Models (LLMs) to strengthen spatial and temporal modeling. Our framework uses a Mixture-of-Experts (MoE) mechanism that adaptively processes different frequency components, enabling efficient handling of both global signals and localized extreme events. In addition, we introduce a cross-temporal and cross-spatial dynamic prompting mechanism, allowing LLMs to incorporate meteorological patterns across multiple scales effectively. Extensive experiments on real-world datasets show that ClimateLLM outperforms state-of-the-art approaches in accuracy and efficiency, as a scalable solution for global weather forecasting. For almost half a century, numerical weather prediction (NWP) methods that rely on solving atmospheric partial differential equations have formed the backbone of operational forecasting Kalnay (2002); Lynch (2008); Bauer et al. (2015); Nguyen et al. (2024).

Large scale deep learning model, such as modern language models and diffusion architectures, have revolutionized applications ranging from natural language processing to computer vision. However, their deployment in distributed or decentralized environments raises significant privacy concerns, as sensitive data may be exposed during inference. Traditional techniques like secure multi-party computation, homomorphic encryption, and differential privacy offer partial remedies but often incur substantial computational overhead, latency penalties, or limited compatibility with non-linear network operations. In this work, we introduce Equivariant Encryption (EE), a novel paradigm designed to enable secure, "blind" inference on encrypted data with near zero performance overhead. Unlike fully homomorphic approaches that encrypt the entire computational graph, EE selectively obfuscates critical internal representations within neural network layers while preserving the exact functionality of both linear and a prescribed set of non-linear operations. This targeted encryption ensures that raw inputs, intermediate activations, and outputs remain confidential, even when processed on untrusted infrastructure. We detail the theoretical foundations of EE, compare its performance and integration complexity against conventional privacy preserving techniques, and demonstrate its applicability across a range of architectures, from convolutional networks to large language models. Furthermore, our work provides a comprehensive threat analysis, outlining potential attack vectors and baseline strategies, and benchmarks EE against standard inference pipelines in decentralized settings. The results confirm that EE maintains high fidelity and throughput, effectively bridging the gap between robust data confidentiality and the stringent efficiency requirements of modern, large scale model inference.