Energy
Anthropic Has a Plan to Keep Its AI From Building a Nuclear Weapon. Will It Work?
Anthropic Has a Plan to Keep Its AI From Building a Nuclear Weapon. Anthropic partnered with the US government to create a filter meant to block Claude from helping someone build a nuke. Experts are divided on whether its a necessary protection--or a protection at all. At the end of August, the AI company Anthropic announced that its chatbot Claude wouldn't help anyone build a nuclear weapon. According to Anthropic, it had partnered with the Department of Energy (DOE) and the National Nuclear Security Administration (NNSA) to make sure Claude wouldn't spill nuclear secrets.
Particle Dynamics for Latent-Variable Energy-Based Models
Tang, Shiqin, Zhuang, Shuxin, Feng, Rong, Yu, Runsheng, Li, Hongzong, Zhang, Youzhi
Latent-variable energy-based models (LV-EBMs) assign a single normalized energy to joint pairs of observed data and latent variables, offering expressive generative modeling while capturing hidden structure. We recast maximum-likelihood training as a saddle problem over distributions on the latent and joint manifolds and view the inner updates as coupled Wasserstein gradient flows. The resulting algorithm alternates overdamped Langevin updates for a joint negative pool and for conditional latent particles with stochastic parameter ascent, requiring no discriminator or auxiliary networks. We prove existence and convergence under standard smoothness and dissi-pativity assumptions, with decay rates in KL divergence and Wasserstein-2 distance. The saddle-point view further yields an ELBO strictly tighter than bounds obtained with restricted amortized posteriors. Our method is evaluated on numerical approximations of physical systems and performs competitively against comparable approaches.
Data-driven Calibration Sample Selection and Forecast Combination in Electricity Price Forecasting: An Application of the ARHNN Method
Serafin, Tomasz, Nitka, Weronika
Calibration sample selection and forecast combination are two simple yet powerful tools used in forecasting. They can be combined with a variety of models to significantly improve prediction accuracy, at the same time offering easy implementation and low computational complexity. While their effectiveness has been repeatedly confirmed in prior scientific literature, the topic is still underexplored in the field of electricity price forecasting. In this research article we apply the Autoregressive Hybrid Nearest Neighbors (ARHNN) method to three long-term time series describing the German, Spanish and New England electricity markets. We show that it outperforms popular literature benchmarks in terms of forecast accuracy by up to 10%. We also propose two simplified variants of the method, granting a vast decrease in computation time with only minor loss of prediction accuracy. Finally, we compare the forecasts' performance in a battery storage system trading case study. We find that using a forecast-driven strategy can achieve up to 80% of theoretical maximum profits while trading, demonstrating business value in practical applications.
Migration as a Probe: A Generalizable Benchmark Framework for Specialist vs. Generalist Machine-Learned Force Fields
Machine-learned force fields (MLFFs), especially pre-trained foundation models, are transforming computational materials science by enabling ab initio-level accuracy at molecular dynamics scales. Yet their rapid rise raises a key question: should researchers train specialist models from scratch, fine-tune generalist foundation models, or use hybrid approaches? The trade-offs in data efficiency, accuracy, cost, and robustness to out-of-distribution failure remain unclear. We introduce a benchmarking framework using defect migration pathways, evaluated through nudged elastic band trajectories, as diagnostic probes that test both interpolation and extrapolation. Using Cr-doped Sb2Te3 as a representative two-dimensional material, we benchmark multiple training paradigms within the MACE architecture across equilibrium, kinetic (atomic migration), and mechanical (interlayer sliding) tasks. Fine-tuned models substantially outperform from-scratch and zero-shot approaches for kinetic properties but show partial loss of long-range physics. Representational analysis reveals distinct, non-overlapping latent encodings, indicating that different training strategies learn different aspects of system physics. This framework provides practical guidelines for MLFF development and establishes migration-based probes as efficient diagnostics linking performance to learned representations, guiding future uncertainty-aware active learning.
LeMat-Traj: A Scalable and Unified Dataset of Materials Trajectories for Atomistic Modeling
Ramlaoui, Ali, Siron, Martin, Djafar, Inel, Musielewicz, Joseph, Rossello, Amandine, Schmidt, Victor, Duval, Alexandre
The development of accurate machine learning interatomic potentials (MLIPs) is limited by the fragmented availability and inconsistent formatting of quantum mechanical trajectory datasets derived from Density Functional Theory (DFT). These datasets are expensive to generate yet difficult to combine due to variations in format, metadata, and accessibility. To address this, we introduce LeMat-Traj, a curated dataset comprising over 120 million atomic configurations aggregated from large-scale repositories, including the Materials Project, Alexandria, and OQMD. LeMat-Traj standardizes data representation, harmonizes results and filters for high-quality configurations across widely used DFT functionals (PBE, PBESol, SCAN, r2SCAN). It significantly lowers the barrier for training transferrable and accurate MLIPs. LeMat-Traj spans both relaxed low-energy states and high-energy, high-force structures, complementing molecular dynamics and active learning datasets. By fine-tuning models pre-trained on high-force data with LeMat-Traj, we achieve a significant reduction in force prediction errors on relaxation tasks. We also present LeMaterial-Fetcher, a modular and extensible open-source library developed for this work, designed to provide a reproducible framework for the community to easily incorporate new data sources and ensure the continued evolution of large-scale materials datasets. LeMat-Traj and LeMaterial-Fetcher are publicly available at https://huggingface.co/datasets/LeMaterial/LeMat-Traj and https://github.com/LeMaterial/lematerial-fetcher.
A Cycle-Consistency Constrained Framework for Dynamic Solution Space Reduction in Noninjective Regression
To address the challenges posed by the heavy reliance of multi-output models on preset probability distributions and embedded prior knowledge in non-injective regression tasks, this paper proposes a cycle consistency-based data-driven training framework. The method jointly optimizes a forward model ฮฆ: X to Y and a backward model ฮจ: Y to X, where the cycle consistency loss is defined as L _cycleb equal L(Y reduce ฮฆ(ฮจ(Y))) (and vice versa). By minimizing this loss, the framework establishes a closed-loop mechanism integrating generation and validation phases, eliminating the need for manual rule design or prior distribution assumptions. Experiments on normalized synthetic and simulated datasets demonstrate that the proposed method achieves a cycle reconstruction error below 0.003, achieving an improvement of approximately 30% in evaluation metrics compared to baseline models without cycle consistency. Furthermore, the framework supports unsupervised learning and significantly reduces reliance on manual intervention, demonstrating potential advantages in non-injective regression tasks.
Autonomous Cyber Resilience via a Co-Evolutionary Arms Race within a Fortified Digital Twin Sandbox
Malikussaid, null, Sutiyo, null
The convergence of Information Technology and Operational Technology has exposed Industrial Control Systems to adaptive, intelligent adversaries that render static defenses obsolete. This paper introduces the Adversarial Resilience Co-evolution (ARC) framework, addressing the "Trinity of Trust" comprising model fidelity, data integrity, and analytical resilience. ARC establishes a co-evolutionary arms race within a Fortified Secure Digital Twin (F-SCDT), where a Deep Reinforcement Learning "Red Agent" autonomously discovers attack paths while an ensemble-based "Blue Agent" is continuously hardened against these threats. Experimental validation on the Tennessee Eastman Process (TEP) and Secure Water Treatment (SWaT) testbeds demonstrates superior performance in detecting novel attacks, with F1-scores improving from 0.65 to 0.89 and detection latency reduced from over 1200 seconds to 210 seconds. A comprehensive ablation study reveals that the co-evolutionary process itself contributes a 27% performance improvement. By integrating Explainable AI and proposing a Federated ARC architecture, this work presents a necessary paradigm shift toward dynamic, self-improving security for critical infrastructure.
Internet of Agents: Fundamentals, Applications, and Challenges
Wang, Yuntao, Guo, Shaolong, Pan, Yanghe, Su, Zhou, Chen, Fahao, Luan, Tom H., Li, Peng, Kang, Jiawen, Niyato, Dusit
With the rapid proliferation of large language models and vision-language models, AI agents have evolved from isolated, task-specific systems into autonomous, interactive entities capable of perceiving, reasoning, and acting without human intervention. As these agents proliferate across virtual and physical environments, from virtual assistants to embodied robots, the need for a unified, agent-centric infrastructure becomes paramount. In this survey, we introduce the Internet of Agents (IoA) as a foundational framework that enables seamless interconnection, dynamic discovery, and collaborative orchestration among heterogeneous agents at scale. We begin by presenting a general IoA architecture, highlighting its hierarchical organization, distinguishing features relative to the traditional Internet, and emerging applications. Next, we analyze the key operational enablers of IoA, including capability notification and discovery, adaptive communication protocols, dynamic task matching, consensus and conflict-resolution mechanisms, and incentive models. Finally, we identify open research directions toward building resilient and trustworthy IoA ecosystems.
Self-Certifying Primal-Dual Optimization Proxies for Large-Scale Batch Economic Dispatch
Klamkin, Michael, Tanneau, Mathieu, Van Hentenryck, Pascal
Recent research has shown that optimization proxies can be trained to high fidelity, achieving average optimality gaps under 1% for large-scale problems. However, worst-case analyses show that there exist in-distribution queries that result in orders of magnitude higher optimality gap, making it difficult to trust the predictions in practice. This paper aims at striking a balance between classical solvers and optimization proxies in order to enable trustworthy deployments with interpretable speed-optimality tradeoffs based on a user-defined optimality threshold. To this end, the paper proposes a hybrid solver that leverages duality theory to efficiently bound the optimality gap of predictions, falling back to a classical solver for queries where optimality cannot be certified. To improve the achieved speedup of the hybrid solver, the paper proposes an alternative training procedure that combines the primal and dual proxy training. Experiments on large-scale transmission systems show that the hybrid solver is highly scalable. The proposed hybrid solver achieves speedups of over 1000x compared to a parallelized simplex-based solver while guaranteeing a maximum optimality gap of 2%.
Hierarchical Testing with Rabbit Optimization for Industrial Cyber-Physical Systems
Hu, Jinwei, Tang, Zezhi, Jin, Xin, Zhang, Benyuan, Dong, Yi, Huang, Xiaowei
Preprint accepted by IEEE Transactions on Industrial Cyber-Physical Systems. T o appear in TICPS on IEEE Explore. Abstract --This paper presents HERO (Hierarchical T esting with Rabbit Optimization), a novel black-box adversarial testing framework for evaluating the robustness of deep learning-based Prognostics and Health Management systems in Industrial Cyber-Physical Systems. Leveraging Artificial Rabbit Optimization, HERO generates physically constrained adversarial examples that align with real-world data distributions via global and local perspective. Its generalizability ensures applicability across diverse ICPS scenarios. This study specifically focuses on the Proton Exchange Membrane Fuel Cell system, chosen for its highly dynamic operational conditions, complex degradation mechanisms, and increasing integration into ICPS as a sustainable and efficient energy solution. Experimental results highlight HERO's ability to uncover vulnerabilities in even state-of-the-art PHM models, underscoring the critical need for enhanced robustness in real-world applications. By addressing these challenges, HERO demonstrates its potential to advance more resilient PHM systems across a wide range of ICPS domains. With the rapid development of net zero, there is a need for advanced predictive models and system integration plays a crucial role in the field of renewable energy technologies, particularly in the deployment and management of Proton Exchange Membrane Fuel Cells (PEMFC). Regarded as an integral part of future energy conversion technologies, PEMFC boast high energy conversion efficiency, low operating temperature, low emissions, and rapid startup capabilities [1].