Data‐Guided Photocatalysis: Supervised Machine Learning in Water Splitting and CO2 Conversion
Advanced Intelligent Discovery, EarlyView.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
Advanced Intelligent Discovery, EarlyView.An AI‐assisted approach is introduced to decode synthesis–performance relationships in metal‐organic framework‐derived supercapacitor materials using Bayesian optimization and predictive modeling, streamlining the search for optimal energy storage properties.
David Gryc +8 more
wiley +1 more source
Two-Stage Sparse Recovery for Off-Grid Cascaded Channel Estimation in RIS-Assisted mmWave Systems. [PDF]
Sensors (Basel)Han Z, Liu Q, Cao Y, Wang Y, Lin Y.
europepmc +1 more source
Advanced Intelligent Discovery, EarlyView.This article establishes a Taguchi–Bayesian sampling strategy to reconstruct polymer processing–property landscape at minimal sampling cost, generically building the roadmap for materials database construction from sampling their vast design space. This sampling strategy is featured by an alternating lesson between uniformity and representativeness ...
Han Liu, Liantang Li
wiley +1 more source
AmberTorchPB: A Unified Framework for Poisson-Boltzmann-Based Reaction Field Energy Calculation via Tensor Computation. [PDF]
J Chem Theory ComputWu Y, Wang Q, Jiang R, Luo R.
europepmc +1 more source
Advanced Intelligent Discovery, EarlyView.A machine learning method, opt‐GPRNN, is presented that combines the advantages of neural networks and kernel regressions. It is based on additive GPR in optimized redundant coordinates and allows building a representation of the target with a small number of terms while avoiding overfitting when the number of terms is larger than optimal.
Sergei Manzhos, Manabu Ihara
wiley +1 more source
Analysis of the performance of a virtual gauge-based method in hydrological modeling of basins with no precipitation stations. [PDF]
Sci RepDou Y, Liu X, Liu X, Xie M, Liu R.
europepmc +1 more source
Explaining the Origin of Negative Poisson's Ratio in Amorphous Networks With Machine Learning
Advanced Intelligent Discovery, EarlyView.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
Optimal Sensor Placement via a POD-QR Framework for High-Fidelity 3D Temperature Field Reconstruction in Large-Scale Ultra-Low Temperature Chest Freezers. [PDF]
Sensors (Basel)Chen Y +5 more
europepmc +1 more source
Harnessing Machine Learning to Understand and Design Disordered Solids
Advanced Intelligent Discovery, EarlyView.This review maps the dynamic evolution of machine learning in disordered solids, from structural representations to generative modeling. It explores how deep learning and model explainability transform property prediction into profound physical insight.
Muchen Wang, Yue Fan
wiley +1 more source