Computational simulations have revolutionized materials design, accelerating innovation by allowing researchers to explore material properties and their behaviors virtually before experimental validation[1-4]. This shift has led to significant breakthroughs that range from energy storage[5, 6] to pharmaceutical development[7, 8]. However, a persistent challenge undermines this potential: the technical barriers to effective simulation setup disproportionately burden researchers, particularly those whose expertise lies in experimental rather than computational domains. When scientists identify a promising new compound, understanding its fundamental properties often requires computational validation. Y et, even seemingly straightforward simulations frequently lead to lengthy technical challenges. Even experienced computational scientists (physicists, chemists, engineers) find themselves diverted from scientific inquiry toward navigating complex programming challenges, engaging in trial-and-error attempts, and struggling with computational setup details rather than focusing on the scientific questions[9]. Integrated Computational Materials Engineering (ICME) has emerged as a robust framework to accelerate materials development by synergizing experimental data, simulations, and theoretical models across multiple scales.

The increasing complexity of cyber threats in distributed environments demands advanced frameworks for real-time detection and response across multimodal data streams. This paper introduces AgenticCyber, a generative AI powered multi-agent system that orchestrates specialized agents to monitor cloud logs, surveillance videos, and environmental audio concurrently. The solution achieves 96.2% F1-score in threat detection, reduces response latency to 420 ms, and enables adaptive security posture management using multimodal language models like Google's Gemini coupled with LangChain for agent orchestration. Benchmark datasets, such as AWS CloudTrail logs, UCF-Crime video frames, and UrbanSound8K audio clips, show greater performance over standard intrusion detection systems, reducing mean time to respond (MTTR) by 65% and improving situational awareness. This work introduces a scalable, modular proactive cybersecurity architecture for enterprise networks and IoT ecosystems that overcomes siloed security technologies with cross-modal reasoning and automated remediation.

The modern web stack, which is dominated by browser-based applications and API-first backends, now operates under an adversarial equilibrium where automated, AI-assisted attacks evolve continuously. Content Delivery Networks (CDNs) and edge computing place programmable defenses closest to users and bots, making them natural enforcement points for machine-learning (ML) driven inspection, throttling, and isolation. This survey synthesizes the landscape of AI-enhanced defenses deployed at the edge: (i) anomaly- and behavior-based Web Application Firewalls (WAFs) within broader Web Application and API Protection (WAAP), (ii) adaptive DDoS detection and mitigation, (iii) bot management that resists human-mimicry, and (iv) API discovery, positive security modeling, and encrypted-traffic anomaly analysis. We add a systematic survey method, a threat taxonomy mapped to edge-observable signals, evaluation metrics, deployment playbooks, and governance guidance. We conclude with a research agenda spanning XAI, adversarial robustness, and autonomous multi-agent defense. Our findings indicate that edge-centric AI measurably improves time-to-detect and time-to-mitigate while reducing data movement and enhancing compliance, yet introduces new risks around model abuse, poisoning, and governance.

Embodied AI systems integrate language models with real world sensing, mobility, and cloud connected mobile apps. Yet while model jailbreaks have drawn significant attention, the broader system stack of embodied intelligence remains largely unexplored. In this work, we conduct the first holistic security analysis of the Unitree Go2 platform and uncover ten cross layer vulnerabilities the "Ten Sins of Embodied AI Security." Using BLE sniffing, traffic interception, APK reverse engineering, cloud API testing, and hardware probing, we identify systemic weaknesses across three architectural layers: wireless provisioning, core modules, and external interfaces. These include hard coded keys, predictable handshake tokens, WiFi credential leakage, missing TLS validation, static SSH password, multilingual safety bypass behavior, insecure local relay channels, weak binding logic, and unrestricted firmware access. Together, they allow adversaries to hijack devices, inject arbitrary commands, extract sensitive information, or gain full physical control.Our findings show that securing embodied AI requires far more than aligning the model itself. We conclude with system level lessons learned and recommendations for building embodied platforms that remain robust across their entire software hardware ecosystem.

This paper presents \textsc{Luca}, a \underline{l}arge language model (LLM)-\underline{u}pgraded graph reinforcement learning framework for \underline{c}arbon-\underline{a}ware flexible job shop scheduling. \textsc{Luca} addresses the challenges of dynamic and sustainable scheduling in smart manufacturing systems by integrating a graph neural network and an LLM, guided by a carefully designed in-house prompting strategy, to produce a fused embedding that captures both structural characteristics and contextual semantics of the latest scheduling state. This expressive embedding is then processed by a deep reinforcement learning policy network, which generates real-time scheduling decisions optimized for both makespan and carbon emission objectives. To support sustainability goals, \textsc{Luca} incorporates a dual-objective reward function that encourages both energy efficiency and scheduling timeliness. Experimental results on both synthetic and public datasets demonstrate that \textsc{Luca} consistently outperforms comparison algorithms. For instance, on the synthetic dataset, it achieves an average of 4.1\% and up to 12.2\% lower makespan compared to the best-performing comparison algorithm while maintaining the same emission level. On public datasets, additional gains are observed for both makespan and emission. These results demonstrate that \textsc{Luca} is effective and practical for carbon-aware scheduling in smart manufacturing.

The emergence of transformative technologies often surfaces deep societal divisions, nowhere more evident than in contemporary debates about artificial intelligence (AI). A striking feature of these divisions is that they persist despite shared interests in ensuring that AI benefits humanity and avoiding catastrophic outcomes. This paper analyzes contemporary debates about AI risk, parsing the differences between the "doomer" and "boomer" perspectives into definitional, factual, causal, and moral premises to identify key points of contention. We find that differences in perspectives about existential risk ("X-risk") arise fundamentally from differences in causal premises about design vs. emergence in complex systems, while differences in perspectives about employment risks ("E-risks") pertain to different causal premises about the applicability of past theories (evolution) vs their inapplicability (revolution). Disagreements about these two forms of AI risk appear to share two properties: neither involves significant disagreements on moral values and both can be described in terms of differing views on the extent of boundedness of human rationality. Our approach to analyzing reasoning chains at scale, using an ensemble of LLMs to parse textual data, can be applied to identify key points of contention in debates about risk to the public in any arena.

Human pose estimation focuses on predicting body keypoints to analyze human motion. Event cameras provide high temporal resolution and low latency, enabling robust estimation under challenging conditions. However, most existing methods convert event streams into dense event frames, which adds extra computation and sacrifices the high temporal resolution of the event signal. In this work, we aim to exploit the spatiotemporal properties of event streams based on point cloud-based framework, designed to enhance human pose estimation performance. We design Event Temporal Slicing Convolution module to capture short-term dependencies across event slices, and combine it with Event Slice Sequencing module for structured temporal modeling. We also apply edge enhancement in point cloud-based event representation to enhance spatial edge information under sparse event conditions to further improve performance. Experiments on the DHP19 dataset show our proposed method consistently improves performance across three representative point cloud backbones: PointNet, DGCNN, and Point Transformer.

Identity, accent, style, and emotions are essential components of human speech. Voice conversion (VC) techniques process the speech signals of two input speakers and other modalities of auxiliary information such as prompts and emotion tags. It changes para-linguistic features from one to another, while maintaining linguistic contents. Recently, VC models have made rapid advancements in both generation quality and personalization capabilities. These developments have attracted considerable attention for diverse applications, including privacy preservation, voice-print reproduction for the deceased, and dysarthric speech recovery. However, these models only learn non-robust features due to the clean training data. Subsequently, it results in unsatisfactory performances when dealing with degraded input speech in real-world scenarios, including additional noise, reverberation, adversarial attacks, or even minor perturbation. Hence, it demands robust deployments, especially in real-world settings. Although latest researches attempt to find potential attacks and countermeasures for VC systems, there remains a significant gap in the comprehensive understanding of how robust the VC model is under input manipulation. here also raises many questions: For instance, to what extent do different forms of input degradation attacks alter the expected output of VC models? Is there potential for optimizing these attack and defense strategies? To answer these questions, we classify existing attack and defense methods from the perspective of input manipulation and evaluate the impact of degraded input speech across four dimensions, including intelligibility, naturalness, timbre similarity, and subjective perception. Finally, we outline open issues and future directions.

Understanding the dynamic reorganization of brain networks is critical for predicting cognitive decline, neurological progression, and individual variability in clinical outcomes. This work proposes a multimodal graph neural network framework that integrates structural MRI, diffusion tensor imaging, and functional MRI to model spatiotemporal brain network reorganization. Brain regions are represented as nodes and structural and functional connectivity as edges, forming longitudinal brain graphs for each subject. Temporal evolution is captured via fractional stochastic differential operators embedded within graph-based recurrent networks, enabling the modeling of long-term dependencies and stochastic fluctuations in network dynamics. Attention mechanisms fuse multimodal information and generate interpretable biomarkers, including network energy entropy, graph curvature, fractional memory indices, and modality-specific attention scores. These biomarkers are combined into a composite prognostic index to quantify individual risk of network instability or cognitive decline. Experiments on longitudinal neuroimaging datasets demonstrate both predictive accuracy and interpretability. The results highlight the potential of mathematically rigorous, multimodal graph-based approaches for deriving clinically meaningful biomarkers from existing imaging data without requiring new data collection.

Knowledge graph completion (KGC) aims to predict missing facts from the observed KG. While a number of KGC models have been studied, the evaluation of KGC still remain underexplored. In this paper, we observe that existing metrics overlook two key perspectives for KGC evaluation: (A1) predictive sharpness -- the degree of strictness in evaluating an individual prediction, and (A2) popularity-bias robustness -- the ability to predict low-popularity entities. Toward reflecting both perspectives, we propose a novel evaluation framework (PROBE), which consists of a rank transformer (RT) estimating the score of each prediction based on a required level of predictive sharpness and a rank aggregator (RA) aggregating all the scores in a popularity-aware manner. Experiments on real-world KGs reveal that existing metrics tend to over- or under-estimate the accuracy of KGC models, whereas PROBE yields a comprehensive understanding of KGC models and reliable evaluation results.