A Machine Learning Model for Interpretable PECVD Deposition Rate Prediction
This study develops six machine learning models (k‐nearest neighbors, support vector regression, decision tree, random forest, CatBoost, and backpropagation neural network) to predict SiNx deposition rates in plasma‐enhanced chemical vapor deposition using hybrid production and simulation data.
Yuxuan Zhai +8 more
wiley +1 more source
Bayesian networks for predicting clinical outcomes in COVID-19 patients: A retrospective study in a resource-limited setting. [PDF]
Filamant TC +2 more
europepmc +1 more source
Topology‐Aware Machine Learning for High‐Throughput Screening of MOFs in C8 Aromatic Separation
We screened 15,335 Computation‐Ready, Experimental Metal–Organic Frameworks (CoRE‐MOFs) using a topology‐aware machine learning (ML) model that integrates structural, chemical, pore‐size, and topological descriptors. Top‐performing MOFs exhibit aromatic‐enriched cavities and open metal sites that enable π–π and C–H···π interactions, serving as ...
Yu Li, Honglin Li, Jialu Li, Wan‐Lu Li
wiley +1 more source
Analyzing and supporting mental representations and strategies in solving Bayesian problems. [PDF]
Sirock J, Vogel M, Seufert T.
europepmc +1 more source
Deep Learning‐Assisted Design of Mechanical Metamaterials
This review examines the role of data‐driven deep learning methodologies in advancing mechanical metamaterial design, focusing on the specific methodologies, applications, challenges, and outlooks of this field. Mechanical metamaterials (MMs), characterized by their extraordinary mechanical behaviors derived from architected microstructures, have ...
Zisheng Zong +5 more
wiley +1 more source
Large Language Model in Materials Science: Roles, Challenges, and Strategic Outlook
Large language models (LLMs) are reshaping materials science. Acting as Oracle, Surrogate, Quant, and Arbiter, they now extract knowledge, predict properties, gauge risk, and steer decisions within a traceable loop. Overcoming data heterogeneity, hallucinations, and poor interpretability demands domain‐adapted models, cross‐modal data standards, and ...
Jinglan Zhang +4 more
wiley +1 more source
ImmUQBench: a benchmark on uncertainty quantification of protein immunogenicity prediction. [PDF]
Qayyum ABA, Rahmati AH, Qian X, Yoon BJ.
europepmc +1 more source
Advanced Experiment Design Strategies for Drug Development
Wang et al. analyze 592 drug development studies published between 2020 and 2024 that applied design of experiments methodologies. The review surveys both classical and emerging approaches—including Bayesian optimization and active learning—and identifies a critical gap between advanced experimental strategies and their practical adoption in ...
Fanjin Wang +3 more
wiley +1 more source
physically interpretable residual strength prediction of corroded pipelines via symbolic Bayesian networks. [PDF]
Chen M, Zhang Y, Ye Y, Lu Y.
europepmc +1 more source
Bayesian structure learning in graphical models
This thesis consists of two papers studying structure learning in probabilistic graphical models for both undirected graphs anddirected acyclic graphs (DAGs). Paper A, presents a novel family of graph theoretical algorithms, called the junction tree expanders, that incrementally construct junction trees for decomposable graphs.
openaire +1 more source

