Smart Exploration of Perovskite Photovoltaics: From AI Driven Discovery to Autonomous Laboratories
Advanced Energy Materials, EarlyView.In this review, we summarize the fundamentals of AI in automated materials science, and review AI applications in perovskite solar cells. Then, we sum up recent progress in AI‐guided manufacturing optimization, and highlight AI‐driven high‐throughput and autonomous laboratories.
Wenning Chen +4 more
wiley +1 more source
Distributed Nonparametric Regression with Heterogeneity Through Prediction-Based Aggregation. [PDF]
J Comput Graph StatChen Z, Li R, Xu Y.
europepmc +1 more source
Automated generative process synthesis via transformer‐based dual‐loop simulation and optimization
AIChE Journal, EarlyView.Abstract This study presents a novel framework for automated generative process synthesis, addressing the complexity of simultaneously optimizing discrete topologies and continuous operating variables. To overcome conventional superstructure limitations, we propose a dual‐loop architecture integrating generative transformers with rigorous process ...
Yeong Woo Son +4 more
wiley +1 more source
Addressing multicollinearity in general linear model: A novel approach for ridge parameter with performance comparison. [PDF]
PLoS OneLuqman M, Bhatti SH, Aydin D, Jamil M.
europepmc +1 more source
Advanced Intelligent Discovery, EarlyView.This work establishes a correlation between solvent properties and the charge transport performance of solution‐processed organic thin films through interpretable machine learning. Strong dispersion interactions (δD), moderate hydrogen bonding (δH), closely matching and compatible with the solute (quadruple thiophene), and a small molar volume (MolVol)
Tianhao Tan, Lian Duan, Dong Wang
wiley +1 more source
The Challenge of Handling Structured Missingness in Integrated Data Sources
Advanced Intelligent Discovery, EarlyView.As data integration becomes ever more prevalent, a new research question that emerges is how to handle missing values that will inevitably arise in these large‐scale integrated databases? This missingness can be described as structured missingness, encompassing scenarios involving multivariate missingness mechanisms and deterministic, nonrandom ...
James Jackson +6 more
wiley +1 more source
New two parameter hybrid estimator for zero inflated negative binomial regression models. [PDF]
Sci RepAlmulhim FA +5 more
europepmc +1 more source
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
The distributional effects of power outages on regional economies: evidence from dynamic panel data and machine learning models. [PDF]
Ann Reg SciSingh S, Keeler Z, Ewing B.
europepmc +1 more source
Advanced Intelligent Discovery, EarlyView.This work investigates the optimal initial data size for surrogate‐based active learning in functional material optimization. Using factorization machine (FM)‐based quadratic unconstrained binary optimization (QUBO) surrogates and averaged piecewise linear regression, we show that adequate initial data accelerates convergence, enhances efficiency, and ...
Seongmin Kim, In‐Saeng Suh
wiley +1 more source