Advanced Intelligent Discovery, EarlyView.Several simulation techniques are used to explore static and dynamic behavior in polyanion sodium cathode materials. The study reveals that universal machine learning interatomic potentials (MLIPs) struggle with system‐specific chemistry, emphasizing the need for tailored datasets.
Martin Hoffmann Petersen +5 more
wiley +1 more source
Analysis of hyperparameter optimization effects on lightweight deep models for real-time image classification. [PDF]
Sci RepRakesh VK +5 more
europepmc +1 more source
Deep Learning‐Assisted Coherent Raman Scattering Microscopy
Advanced Intelligent Discovery, EarlyView.The analytical capabilities of coherent Raman scattering microscopy are augmented through deep learning integration. This synergistic paradigm improves fundamental performance via denoising, deconvolution, and hyperspectral unmixing. Concurrently, it enhances downstream image analysis including subcellular localization, virtual staining, and clinical ...
Jianlin Liu +4 more
wiley +1 more source
Intelligent Corrosion Diagnosis of High-Strength Bolts Based on Multi-Modal Feature Fusion and APO-XGBoost. [PDF]
Sensors (Basel)Zhang H, Wu Y, Sun B, Liu Y, Liu W.
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
EdgeVolution: democratizing multi-objective neural architecture search and end-to-end deployment on microcontrollers. [PDF]
Commun EngGroh R +5 more
europepmc +1 more source
Topology‐Aware Machine Learning for High‐Throughput Screening of MOFs in C8 Aromatic Separation
Advanced Intelligent Discovery, EarlyView.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
Semi-Quantitative Detection of Borax Adulteration in Wheat Flour Based on Microwave Non-Destructive Testing and Machine Learning. [PDF]
FoodsKang M, Yang J, Ren Y, Bai X.
europepmc +1 more source
Advanced Experiment Design Strategies for Drug Development
Advanced Intelligent Discovery, EarlyView.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
Machine Learning-Based Prediction of Polymer Properties Using Structure-Property Relationship Modeling. [PDF]
Polymers (Basel)Rahman MH +5 more
europepmc +1 more source