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AIMatDesign: Knowledge-Augmented Reinforcement Learning for Inverse Materials Design under Data Scarcity

arXiv.org Artificial Intelligence

With the growing demand for novel materials, machine learning-driven inverse design methods face significant challenges in reconciling the high-dimensional materials composition space with limited experimental data. Existing approaches suffer from two major limitations: (I) machine learning models often lack reliability in high-dimensional spaces, leading to prediction biases during the design process; (II) these models fail to effectively incorporate domain expert knowledge, limiting their capacity to support knowledge-guided inverse design. To address these challenges, we introduce AIMatDesign, a reinforcement learning framework that addresses these limitations by augmenting experimental data using difference-based algorithms to build a trusted experience pool, accelerating model convergence. To enhance model reliability, an automated refinement strategy guided by large language models (LLMs) dynamically corrects prediction inconsistencies, reinforcing alignment between reward signals and state value functions. Additionally, a knowledge-based reward function leverages expert domain rules to improve stability and efficiency during training. Our experiments demonstrate that AIMatDesign significantly surpasses traditional machine learning and reinforcement learning methods in discovery efficiency, convergence speed, and success rates. Among the numerous candidates proposed by AIMatDesign, experimental synthesis of representative Zr-based alloys yielded a top-performing BMG with 1.7GPa yield strength and 10.2\% elongation, closely matching predictions. Moreover, the framework accurately captured the trend of yield strength variation with composition, demonstrating its reliability and potential for closed-loop materials discovery.


Causal Machine Learning in IoT-based Engineering Problems: A Tool Comparison in the Case of Household Energy Consumption

arXiv.org Artificial Intelligence

The rapid increase in computing power and the ability to store Big Data in the infrastructure has enabled predictions in a large variety of domains by Machine Learning. However, in many cases, existing Machine Learning tools are considered insufficient or incorrect since they exploit only probabilistic dependencies rather than inference logic. Causal Machine Learning methods seem to close this gap. In this paper, two prevalent tools based on Causal Machine Learning methods are compared, as well as their mathematical underpinning background. The operation of the tools is demonstrated by examining their response to 18 queries, based on the IDEAL Household Energy Dataset, published by the University of Edinburgh. First, it was important to evaluate the causal relations assumption that allowed the use of this approach; this was based on the preexisting scientific knowledge of the domain and was implemented by use of the in-built validation tools. Results were encouraging and may easily be extended to other domains.


What Israel's attack on Iran means for the future of war

Al Jazeera

In the predawn darkness of June 13, Israel launched a "preemptive" attack on Iran. Explosions rocked various parts of the country. Among the targets were nuclear sites at Natanz and Fordo, military bases, research labs, and senior military residences. By the end of the operation, Israel had killed at least 974 people while Iranian missile strikes in retaliation had killed 28 people in Israel. Israel described its actions as anticipatory self-defence, claiming Iran was mere weeks away from producing a functional nuclear weapon.


The Senate Just Put Clean Energy for AI in the Crosshairs

WIRED

After more than a day of continuous debate, the US Senate passed its version of the budget megabill Tuesday afternoon--with potentially disastrous implications for the future of renewable energy in the country. The bill ends credits for projects placed in service--a term meaning, essentially, that a project is ready to provide power to the grid--after 2027, putting hundreds of planned projects around the country in jeopardy. "This is a bill to punish renewables," says Costa Samaras, a professor of civil and environmental engineering at Carnegie Mellon University. "There is a real need to add clean energy supply to the grid--electrifying our cars, electrifying our homes, electrifying our buildings, electrifying our factories, and the demands from AI are all going to require new clean energy. What this bill does is make it harder and more expensive."


Ban on AI Regulations in Trump's Tax Bill Carries a Huge Environmental Cost

Mother Jones

A data center for cryptocurrency mining, cloud services, and AI computing in Stutsman County, North Dakota.halbergman/Getty This story was originally published by the Guardian and is reproduced here as part of the Climate Desk collaboration. Republicans are pushing to pass a major spending bill that includes provisions to prevent states from enacting regulations on artificial intelligence. Such untamed growth in AI will take a heavy toll upon the world's dangerously overheating climate, experts have warned. About 1 billion tons of planet-heating carbon dioxide are set to be emitted in the US just from AI over the next decade if no restraints are placed on the industry's enormous electricity consumption, according to estimates by researchers at Harvard University and provided to the Guardian.


Utilizing a Novel Deep Learning Method for Scene Categorization in Remote Sensing Data

arXiv.org Artificial Intelligence

Scene categorization (SC) in remotely acquired images is an important subject with broad consequences in different fields, including catastrophe control, ecological observation, architecture for cities, and more. Nevertheless, its several apps, reaching a high degree of accuracy in SC from distant observation data has demonstrated to be difficult. This is because traditional conventional deep learning models require large databases with high variety and high levels of noise to capture impor tant visual featu res. To address these problems, this investigation file introduces an innovative technique referred to as the Cuttlefish Optimized Bidirectional Recurrent Neural Network (CO - BRNN) for type of scenes in remote sensing data. The investigation compares the execution of CO - BRNN with current techniques, including Multilayer Perceptron - Convolutional Neural Network (MLP - CNN), Convolutional Neural Network - Long Short Term Memory ( CNN - LSTM), and Long Short Term Memory - Conditional Random Field (LSTM - CRF), Graph - Based (GB), Multilabel Image Retrieval Model (MIRM - CF), Convolutional Neural Networks Data Augmentation (CNN - DA). The results demonstrate that CO - BRNN attained the maximum accuracy of 97%, followed by LSTM - CRF with 90%, MLP - CNN with 85%, and CNN - LSTM with 80%. The study highlights the significance of physical confirmation to ensure the efficiency of satellite data.


Resilient-Native and Intelligent Next-Generation Wireless Systems: Key Enablers, Foundations, and Applications

arXiv.org Artificial Intelligence

Just like power, water, and transportation systems, wireless networks are a crucial societal infrastructure. As natural and human-induced disruptions continue to grow, wireless networks must be resilient. This requires them to withstand and recover from unexpected adverse conditions, shocks, unmodeled disturbances and cascading failures. Unlike robustness and reliability, resilience is based on the understanding that disruptions will inevitably happen. Resilience, as elasticity, focuses on the ability to bounce back to favorable states, while resilience as plasticity involves agents and networks that can flexibly expand their states and hypotheses through real-time adaptation and reconfiguration. This situational awareness and active preparedness, adapting world models and counterfactually reasoning about potential system failures and the best responses, is a core aspect of resilience. This article will first disambiguate resilience from reliability and robustness, before delving into key mathematical foundations of resilience grounded in abstraction, compositionality and emergence. Subsequently, we focus our attention on a plethora of techniques and methodologies pertaining to the unique characteristics of resilience, as well as their applications through a comprehensive set of use cases. Ultimately, the goal of this paper is to establish a unified foundation for understanding, modeling, and engineering resilience in wireless communication systems, while laying a roadmap for the next-generation of resilient-native and intelligent wireless systems.


FairMarket-RL: LLM-Guided Fairness Shaping for Multi-Agent Reinforcement Learning in Peer-to-Peer Markets

arXiv.org Artificial Intelligence

Peer-to-peer (P2P) trading is increasingly recognized as a key mechanism for decentralized market regulation, yet existing approaches often lack robust frameworks to ensure fairness. This paper presents FairMarket-RL, a novel hybrid framework that combines Large Language Models (LLMs) with Reinforcement Learning (RL) to enable fairness-aware trading agents. In a simulated P2P microgrid with multiple sellers and buyers, the LLM acts as a real-time fairness critic, evaluating each trading episode using two metrics: Fairness-To-Buyer (FTB) and Fairness-Between-Sellers (FBS). These fairness scores are integrated into agent rewards through scheduled λ-coefficients, forming an adaptive LLM-guided reward shaping loop that replaces brittle, rule-based fairness constraints. Agents are trained using Independent Proximal Policy Optimization (IPPO) and achieve equitable outcomes, fulfilling over 90% of buyer demand, maintaining fair seller margins, and consistently reaching FTB and FBS scores above 0.80. The training process demonstrates that fairness feedback improves convergence, reduces buyer shortfalls, and narrows profit disparities between sellers. With its language-based critic, the framework scales naturally, and its extension to a large power distribution system with household prosumers illustrates its practical applicability. FairMarket-RL thus offers a scalable, equity-driven solution for autonomous trading in decentralized energy systems.


Scalable Dynamic Origin-Destination Demand Estimation Enhanced by High-Resolution Satellite Imagery Data

arXiv.org Artificial Intelligence

This study presents a novel integrated framework for dynamic origin-destination demand estimation (DODE) in multi-class mesoscopic network models, leveraging high-resolution satellite imagery together with conventional tra ffic data from local sensors. To extract information from imagery data, we design a computer vision pipeline for class-specific vehicle detection and map matching, generating link-level tra ffic density observations by vehicle class. Building upon this information, we formulate a computational graph-based DODE model that calibrates dynamic network states by jointly matching observed tra ffic counts and travel times from local sensors with density measurements derived from satellite imagery. To assess the accuracy and scalability of the proposed framework, we conduct a series of numerical experiments using both synthetic and real-world data. The results of out-of-sample tests demonstrate that supplementing traditional data with satellite-derived density significantly improves estimation performance, especially for links without local sensors. Real-world experiments also confirm the framework's capability to handle large-scale networks, supporting its potential for practical deployment in cities of varying sizes. Sensitivity analysis further evaluates the impact of data quality related to satellite imagery data. Introduction The widespread availability of spatio-temporal data has created new opportunities for advancing computational tools to model network flows, individual traveler behavior, and travel demand in dynamic transportation networks. Recent developments in sensing technologies and artificial intelligence are revolutionizing traditional models, making them more data-driven, scalable, and e ff ective for complex, large-scale networks. Dynamic Origin-destination Demand Estimation (DODE) is a foundational prerequisite for dynamic network models to accurately reproduce the status quo spatio-temporal network conditions, supporting tra ffic assignment (Pi et al. 2019) and control strategies (Y e et al. 2019, Liu, Ma & Qian 2023, Ke et al. 2025). DODE studies can be broadly categorized into model-based methods, which embed physics-informed tra ffic assignment models, and model-free methods, which formulate the problem using data-driven techniques without tra ffic assignment constraints.


Energy-Constrained Resilient Multi-Robot Coverage Control

arXiv.org Artificial Intelligence

--The problem of multi-robot coverage control becomes significantly challenging when multiple robots leave the mission space simultaneously to charge their batteries, disrupting the underlying network topology for communication and sensing. T o address this, we propose a resilient network design and control approach that allows robots to achieve the desired coverage performance while satisfying energy constraints and maintaining network connectivity throughout the mission. We model the combined motion, energy, and network dynamics of the multirobot systems (MRS) as a hybrid system with three modes, i.e., coverage, return-to-base, and recharge, respectively. We show that ensuring the energy constraints can be transformed into designing appropriate guard conditions for mode transition between each of the three modes. Additionally, we present a systematic procedure to design, maintain, and reconfigure the underlying network topology using an energy-aware bearing rigid network design, enhancing the structural resilience of the MRS even when a subset of robots departs to charge their batteries. Finally, we validate our proposed method using numerical simulations.