Materials
31 million tons of seaweed ready to stink up Florida's beaches
Breakthroughs, discoveries, and DIY tips sent every weekday. A smelly, sometimes toxic "killer belt of seaweed" might put a damper on Floridians' Memorial Day weekend plans. Sargassum is back just in time for the unofficial start of summer and this year's influx of the brown algae would be record breaking at 31 million tons. Sargassum is a genus of large brown seaweed. As a seaweed, it is also a type of algae.
ChemPile: A 250GB Diverse and Curated Dataset for Chemical Foundation Models
Mirza, Adrian, Alampara, Nawaf, Ríos-García, Martiño, Abdelalim, Mohamed, Butler, Jack, Connolly, Bethany, Dogan, Tunca, Nezhurina, Marianna, Şen, Bünyamin, Tirunagari, Santosh, Worrall, Mark, Young, Adamo, Schwaller, Philippe, Pieler, Michael, Jablonka, Kevin Maik
Foundation models have shown remarkable success across scientific domains, yet their impact in chemistry remains limited due to the absence of diverse, large-scale, high-quality datasets that reflect the field's multifaceted nature. We present the ChemPile, an open dataset containing over 75 billion tokens of curated chemical data, specifically built for training and evaluating general-purpose models in the chemical sciences. The dataset mirrors the human learning journey through chemistry -- from educational foundations to specialized expertise -- spanning multiple modalities and content types including structured data in diverse chemical representations (SMILES, SELFIES, IUPAC names, InChI, molecular renderings), scientific and educational text, executable code, and chemical images. ChemPile integrates foundational knowledge (textbooks, lecture notes), specialized expertise (scientific articles and language-interfaced data), visual understanding (molecular structures, diagrams), and advanced reasoning (problem-solving traces and code) -- mirroring how human chemists develop expertise through diverse learning materials and experiences. Constructed through hundreds of hours of expert curation, the ChemPile captures both foundational concepts and domain-specific complexity. We provide standardized training, validation, and test splits, enabling robust benchmarking. ChemPile is openly released via HuggingFace with a consistent API, permissive license, and detailed documentation. We hope the ChemPile will serve as a catalyst for chemical AI, enabling the development of the next generation of chemical foundation models.
Conditional Deep Generative Models for Belief State Planning
Bigeard, Antoine, Corso, Anthony, Kochenderfer, Mykel
Partially observable Markov decision processes (POMDPs) are used to model a wide range of applications, including robotics, autonomous vehicles, and subsurface problems. However, accurately representing the belief is difficult for POMDPs with high-dimensional states. In this paper, we propose a novel approach that uses conditional deep generative models (cDGMs) to represent the belief. Unlike traditional belief representations, cDGMs are well-suited for high-dimensional states and large numbers of observations, and they can generate an arbitrary number of samples from the posterior belief. We train the cDGMs on data produced by random rollout trajectories and show their effectiveness in solving a mineral exploration POMDP with a large and continuous state space. The cDGMs outperform particle filter baselines in both task-agnostic measures of belief accuracy as well as in planning performance.
Leveraging Real-Time Data Analysis and Multiple Kernel Learning for Manufacturing of Innovative Steels
Rannetbauer, Wolfgang, Hubmer, Simon, Hambrock, Carina, Ramlau, Ronny
The implementation of thermally sprayed components in steel manufacturing presents challenges for production and plant maintenance. While enhancing performance through specialized surface properties, these components may encounter difficulties in meeting modified requirements due to standardization in the refurbishment process. This article proposes updating the established coating process for thermally spray coated components for steel manufacturing (TCCSM) by integrating real-time data analytics and predictive quality management. Two essential components--the data aggregator and the quality predictor--are designed through continuous process monitoring and the application of data-driven methodologies to meet the dynamic demands of the evolving steel landscape. The quality predictor is powered by the simple and effective multiple kernel learning strategy with the goal of realizing predictive quality. The data aggregator, designed with sensors, flow meters, and intelligent data processing for the thermal spray coating process, is proposed to facilitate real-time analytics. The performance of this combination was verified using small-scale tests that enabled not only the accurate prediction of coating quality based on the collected data but also proactive notification to the operator as soon as significant deviations are identified.
Developing and Integrating Trust Modeling into Multi-Objective Reinforcement Learning for Intelligent Agricultural Management
Wang, Zhaoan, Jang, Wonseok, Ruan, Bowen, Wang, Jun, Xiao, Shaoping
Precision agriculture, enhanced by artificial intelligence (AI), offers promising tools such as remote sensing, intelligent irrigation, fertilization management, and crop simulation to improve agricultural efficiency and sustainability. Reinforcement learning (RL), in particular, has outperformed traditional methods in optimizing yields and resource management. However, widespread AI adoption is limited by gaps between algorithmic recommendations and farmers' practical experience, local knowledge, and traditional practices. To address this, our study emphasizes Human-AI Interaction (HAII), focusing on transparency, usability, and trust in RL-based farm management. We employ a well-established trust framework - comprising ability, benevolence, and integrity - to develop a novel mathematical model quantifying farmers' confidence in AI-based fertilization strategies. Surveys conducted with farmers for this research reveal critical misalignments, which are integrated into our trust model and incorporated into a multi-objective RL framework. Unlike prior methods, our approach embeds trust directly into policy optimization, ensuring AI recommendations are technically robust, economically feasible, context-aware, and socially acceptable. By aligning technical performance with human-centered trust, this research supports broader AI adoption in agriculture.
InvDesFlow-AL: Active Learning-based Workflow for Inverse Design of Functional Materials
Han, Xiao-Qi, Guo, Peng-Jie, Gao, Ze-Feng, Sun, Hao, Lu, Zhong-Yi
Developing inverse design methods for functional materials with specific properties is critical to advancing fields like renewable energy, catalysis, energy storage, and carbon capture. Generative models based on diffusion principles can directly produce new materials that meet performance constraints, thereby significantly accelerating the material design process. However, existing methods for generating and predicting crystal structures often remain limited by low success rates. In this work, we propose a novel inverse material design generative framework called InvDesFlow-AL, which is based on active learning strategies. This framework can iteratively optimize the material generation process to gradually guide it towards desired performance characteristics. In terms of crystal structure prediction, the InvDesFlow-AL model achieves an RMSE of 0.0423 Å, representing an 32.96% improvement in performance compared to exsisting generative models. Additionally, InvDesFlow-AL has been successfully validated in the design of low-formation-energy and low-Ehull materials. It can systematically generate materials with progressively lower formation energies while continuously expanding the exploration across diverse chemical spaces. These results fully demonstrate the effectiveness of the proposed active learning-driven generative model in accelerating material discovery and inverse design. To further prove the effectiveness of this method, we took the search for BCS superconductors under ambient pressure as an example explored by InvDesFlow-AL. As a result, we successfully identified Li\(_2\)AuH\(_6\) as a conventional BCS superconductor with an ultra-high transition temperature of 140 K. This discovery provides strong empirical support for the application of inverse design in materials science.
Optimizing Urban Critical Green Space Development Using Machine Learning
Ganjirad, Mohammad, Delavar, Mahmoud Reza, Bagheri, Hossein, Azizi, Mohammad Mehdi
This paper presents a novel framework for prioritizing urban green space development in Tehran using diverse socio-economic, environmental, and sensitivity indices. The indices were derived from various sources including Google Earth Engine, air pollution measurements, municipal reports and the Weather Research & Forecasting (WRF) model. The WRF model was used to estimate the air temperature at a 1 km resolution due to insufficient meteorological stations, yielding RMSE and MAE values of 0.96°C and 0.92°C, respectively. After data preparation, several machine learning models were used for binary vegetation cover classification including XGBoost, LightGBM, Random Forest (RF) and Extra Trees. RF achieved the highest performance, exceeding 94% in Overall Accuracy, Recall, and F1-score. Then, the probability of areas lacking vegetation cover was assessed using socio-economic, environmental and sensitivity indices. This resulted in the RF generating an urban green space development prioritization map. Feature Importance Analysis revealed that the most significant indices were nightly land surface temperature (LST) and sensitive population. Finally, the framework performance was validated through microclimate simulation to assess the critical areas after and before the green space development by green roofs. The simulation demonstrated reducing air temperature by up to 0.67°C after utilizing the green roof technology in critical areas. As a result, this framework provides a valuable tool for urban planners to develop green spaces.
Image-Guided Microstructure Optimization using Diffusion Models: Validated with Li-Mn-rich Cathode Precursors
Choi, Geunho, Lee, Changhwan, Kim, Jieun, Ye, Insoo, Jung, Keeyoung, Park, Inchul
Microstructure often dictates materials performance, yet it is rarely treated as an explicit design variable because microstructure is hard to quantify, predict, and optimize . Here, w e introduce an image centric, closed - loop framework that makes microstructural morphology into a controllable objective and demonstrate its use case with Li - and Mn - rich layered oxide cathode precursors. This work present s an integrated, AI driven framework for the predictive design and optimization of lithium - ion battery cathode precursor synthesis. This framework integrates a diffusion - based image generation model, a quantitative image analysis pipeline, and a particle swarm optimization (PSO) algorithm. By extracting key morphological descriptors such as texture, s phericity, and median particle size (D) from SEM images, the platform accurately predicts SEM like morphologies resulting from specific coprecipitation conditions, including reaction time -, solution concentration -, and pH - dependent structural changes. Optimization then pinpoints synthesis parameters that yield user defined target morphologies, as experimentally validated by the close agreement between predicted and synthesized structures. This framework offers a practical strategy for data driven material s design, enabling both forward prediction and inverse design of synthesis conditions and paving the way toward autonomous, image guided microstructure engineering.
Generative Molecular Design with Steerable and Granular Synthesizability Control
Guo, Jeff, Sabanza-Gil, Víctor, Jončev, Zlatko, Luterbacher, Jeremy S., Schwaller, Philippe
Synthesizability in small molecule generative design remains a bottleneck. Existing works that do consider synthesizability can output predicted synthesis routes for generated molecules. However, there has been minimal attention in addressing the ease of synthesis and enabling flexibility to incorporate desired reaction constraints. In this work, we propose a small molecule generative design framework that enables steerable and granular synthesizability control. Generated molecules satisfy arbitrary multi-parameter optimization objectives with predicted synthesis routes containing pre-defined allowed reactions, while optionally avoiding others. One can also enforce that all reactions belong to a pre-defined set. We show the capability to mix-and-match these reaction constraints across the most common medicinal chemistry transformations. Next, we show how our framework can be used to valorize industrial byproducts towards de novo optimized molecules. Going further, we demonstrate how granular control over synthesizability constraints can loosely mimic virtual screening of ultra-large make-on-demand libraries. Using only a single GPU, we generate and dock 15k molecules to identify promising candidates in Freedom 4.0 constituting 142B make-on-demand molecules (assessing only 0.00001% of the library). Generated molecules satisfying the reaction constraints have > 90% exact match rate. Lastly, we benchmark our framework against recent synthesizability-constrained generative models and demonstrate the highest sample efficiency even when imposing the additional constraint that all molecules must be synthesizable from a single reaction type. The main theme is demonstrating that a pre-trained generalist molecular generative model can be incentivized to generate property-optimized small molecules under challenging synthesizability constraints through reinforcement learning.
Drones, gold, and threats: Sudan's war raises regional tensions
On May 4, Sudan's paramilitary Rapid Support Forces (RSF) launched a barrage of suicide drones at Port Sudan, the army's de facto wartime capital on the Red Sea. The Sudanese Armed Forces (SAF) accused foreign actors of supporting the RSF's attacks and even threatened to sever ties with one of its biggest trading partners. The RSF surprised many with the strikes. It had used drones before, but never hit targets as far away as Port Sudan, which used to be a haven, until last week. "The strikes … led to a huge displacement from the city. Many people left Port Sudan," Aza Aera, a local relief worker, told Al Jazeera.