Data‐Guided Photocatalysis: Supervised Machine Learning in Water Splitting and CO2 Conversion
This review highlights recent advances in supervised machine learning (ML) for photocatalysis, emphasizing methods to optimize photocatalyst properties and design materials for solar‐driven water splitting and CO2 reduction. Key applications, challenges, and future directions are discussed, offering a practical framework for integrating ML into the ...
Paul Rossener Regonia +1 more
wiley +1 more source
In this work, the Doubao large language model (LLM) is involved in the formula derivation processes for Hubbard U determination regarding the second‐order perturbations of the chemical potential. The core ML tool is optimized for physical domain knowledge, which is not limited to parameter prediction but rather serves as an interactive physical theory ...
Mingzi Sun +8 more
wiley +1 more source
Automating AI Discovery for Biomedicine Through Knowledge Graphs and Large Language Models Agents
This work proposes a novel framework that automates biomedical discovery by integrating knowledge graphs with multiagent large language models. A biologically aligned graph exploration strategy identifies hidden pathways between biomedical entities, and specialized agents use this pathway to iteratively design AI predictors and wet‐lab validation ...
Naafey Aamer +3 more
wiley +1 more source
Finite Element Analysis of Steel-Polypropylene Hybrid Fiber Concrete Penstock
In order to improve the bearing capacity of steel-lined reinforced concrete penstock and ensure the safety and durability of the penstock, it is planned to mix hybrid fibers into the wrapped concrete of penstock for crack control.
HE Shan, WU Hailin, SI Dongdong
doaj
Study on the flexural properties of metallic-hybrid-fibre-reinforced concrete [PDF]
This contribution investigates the flexural properties of metallic-hybrid-fibre-reinforced concrete. Two types of fibres were used: amorphous metallic straight fibre characterised as non-slipping fibre due to its rough surface and large specific surface ...
Rashid Hameed
doaj
Cell Segmentation Beyond 2D—A Review of the State‐of‐the‐Art
Cell segmentation underpins many biological image analysis tasks, yet most deep learning methods remain limited to 2D despite the inherently 3D nature of cellular processes. This review surveys segmentation approaches beyond 2D, comparing 2.5D and fully 3D methods, analyzing 31 models and 32 volumetric datasets, and introducing a unified reference ...
Fabian Schmeisser +6 more
wiley +1 more source
Explaining the Origin of Negative Poisson's Ratio in Amorphous Networks With Machine Learning
This review summarizes how machine learning (ML) breaks the “vicious cycle” in designing auxetic amorphous networks. By transitioning from traditional “black‐box” optimization to an interpretable “AI‐Physics” closed‐loop paradigm, ML is shown to not only discover highly optimized structures—such as all‐convex polygon networks—but also unveil hidden ...
Shengyu Lu, Xiangying Shen
wiley +1 more source
The Interoperability Challenge in DFT Workflows Across Implementations
Interoperability and cross‐validation remain major challenges in the computational materials science. In this work, we introduce a common input/output standard that enables internal translation across multiple workflow managers—AiiDA, PerQueue, Pipeline Pilot, and SimStack—while producing results in a unified schema.
Simon K. Steensen +13 more
wiley +1 more source
An Autonomous Large Language Model‐Agent Framework for Transparent and Local Time Series Forecasting
Architecture of the proposed large language model (LLM)‐based agent framework for autonomous time series forecasting in thermal power generation systems. The framework operates through a vertical pipeline initiated by natural language queries from users, which are processed by the LLM Agent Core powered by Llama.cpp and a ReAct loop with persistent ...
William Gouvêa Buratto +5 more
wiley +1 more source
Effect of hybrid accelerator on the property of CFBFA-based foamed concrete
Circulating fluidized bed fly ash (CFBFA) is a major by-product of modern coal combustion technologies. Foamed concrete with a high CFBFA content can meet insulation requirements for building partition walls.
DONG Biqin +3 more
doaj +1 more source

