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
Confidence interval estimation for the win probability in cluster randomized trials with hierarchical composite endpoints using win fractions. [PDF]
Clin TrialsDavies Smith E +3 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
The performance of different propensity score methods for estimating the effects of multiple treatments or exposures: a neutral comparison study. [PDF]
BMC Med Res MethodolAustin PC, Austin DE.
europepmc +1 more source
Autonomous X‐Ray Fluorescence Mapping for Nanoscale Chemical Speciation of Fine Particulate Matter
Advanced Intelligent Discovery, EarlyView.We present X‐AutoMap, an autonomous X‐ray fluorescence mapping framework that integrates real‐time analysis with rule‐based computer vision to selectively target chemically relevant regions. By avoiding background‐dominated areas, the method reduces acquisition time by fourfold while enabling accurate particle‐level speciation.
Carlos Deleon +3 more
wiley +1 more source
A positive feedback loop between sensory and octopaminergic neurons underlies nociceptive plasticity in Drosophila larvae. [PDF]
PLoS GenetBoivin JC +5 more
europepmc +1 more source
Advanced Intelligent Discovery, EarlyView.AI‐BioMech is a deep learning framework that predicts the mechanical behavior of biological cellular materials directly from 2D images. By replacing traditional finite element analysis with semantic segmentation, it identifies stress and strain distributions with 99% accuracy, offering a high‐speed, scalable alternative for analyzing complex, aperiodic
Haleema Sadia +2 more
wiley +1 more source
MolMiner: Toward Controllable, Three‐Dimensional‐Aware, Fragment‐Based Molecular Design
Advanced Intelligent Discovery, EarlyView.MolMiner is a fragment‐based, geometry‐aware, and order‐agnostic generative model for molecular design with strong inductive biases. Using symmetry‐aware fragment assembly, dynamic three‐dimensional geometry, and multi‐property conditioning, MolMiner enables interpretable and controllable molecular generation.
Raul Ortega‐Ochoa +2 more
wiley +1 more source
Advanced Intelligent Systems, EarlyView.We present a novel AI‐integrated implantation‐on‐chip platform that enables mimicking and monitoring the maternal–fetal interactions at the early phases of human embryo implantation with high spatiotemporal resolution. The complexity of the trophoblast invasion process was addressed by conducting the analysis at global (rate of invasion) and local ...
Joanna Filippi +12 more
wiley +1 more source
Measuring information density in interlanguage through entropy analysis. [PDF]
Sci RepMekheimer M.
europepmc +1 more source