Results 121 to 130 of about 88,814 (288)

Sampling Strategy: An Overlooked Factor Affecting Artificial Intelligence Prediction Accuracy of Peptides’ Physicochemical Properties

open access: yesAdvanced Intelligent Discovery, EarlyView.
This study reveals that sampling strategy (i.e., sampling size and approach) is a foundational prerequisite for building accurate and generalizable AI models in peptide discovery. Reaching a threshold of 7.5% of the total tetrapeptide sequence space was essential to ensure reliable predictions.
Meiru Yan   +3 more
wiley   +1 more source

Composition‐Aware Cross‐Sectional Integration for Spatial Transcriptomics

open access: yesAdvanced Intelligent Discovery, EarlyView.
Multi‐section spatial transcriptomics demands coherent cell‐type deconvolution, domain detection, and batch correction, yet existing pipelines treat these tasks separately. FUSION unifies them within a composition‐aware latent framework, modeling reads as cell‐type–specific topics and clustering in embedding space.
Qishi Dong   +5 more
wiley   +1 more source

Harnessing Machine Learning to Understand and Design Disordered Solids

open access: yesAdvanced 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

Single‐Injection Multi‐Omics Analysis by Direct Infusion Mass Spectrometry

open access: yesAngewandte Chemie, EarlyView.
A high‐throughput direct infusion mass spectrometry platform, enabled by gas‐phase ion mobility separation, supports single‐injection analysis of peptides, polar metabolites, and lipids. Coupled with custom software, it identified ∽1,300 proteins and ∽600 metabolites in ∽4.3 minutes per sample, and demonstrated broad utility in macrophage polarization ...
Yuming Jiang   +6 more
wiley   +2 more sources

Automated Bacterial Identification and Morphological Feature Analysis in Low‐Dose Cryo‐EM Using YOLOv11

open access: yesAdvanced Intelligent Discovery, EarlyView.
AI‐based tools enable rapid characterization of bacterial ultrastructure in low‐dose cryogenic transmission electron microscopy. The envelope thickness tool quantifies membrane thickness and anisotropy. The flagella module analyzes filament morphology and detects cell‐flagella contacts.
Sita Sirisha Madugula   +10 more
wiley   +1 more source

The Best Linear Unbiased Estimator for Continuation of a Function

open access: yes, 2010
We show how to construct the best linear unbiased predictor (BLUP) for the continuation of a curve in a spline-function model. We assume that the entire curve is drawn from some smooth random process and that the curve is given up to some cut point. We demonstrate how to compute the BLUP efficiently. Confidence bands for the BLUP are discussed. Finally,
Goldberg, Yair   +2 more
openaire   +2 more sources

Multi‐Property Machine Learning Models to Accelerate the Transition Toward Bio‐Based Emulsion Polymers

open access: yesAdvanced Intelligent Discovery, EarlyView.
A machine learning framework simultaneously predicts four critical properties of monomers for emulsion polymerization: propagation rate constant, reactivity ratios, glass transition temperature, and water solubility. These tools can be used to systematically identify viable bio‐based monomer pairs as replacements for conventional formulations, with ...
Kiarash Farajzadehahary   +1 more
wiley   +1 more source

Interpretable Machine Learning for Bandgap Prediction and Descriptor‐Guided Design Rules of Phosphates

open access: yesAdvanced Intelligent Discovery, EarlyView.
An explainable CatBoost model was trained to predict the bandgaps of 474 phosphate crystals based on composition and density descriptors. SHAP analysis identified two key variables—d‐electron‐count dispersion and atomic‐density dispersion—as the primary drivers of the model's predictions.
Wenhu Wang   +3 more
wiley   +1 more source

"Prediction in Multivariate Mixed Linear Models" [PDF]

open access: yes
The multivariate mixed linear model or multivariate components of variance model with equal replications is considered.The paper addresses the problem of predicting the sum of the regression mean and the random e ects.When the feasible best linear ...
M. S. Srivastava, Tatsuka Kubokawa
core  

Large Language Model‐Based Chatbots in Higher Education

open access: yesAdvanced Intelligent Systems, Volume 7, Issue 3, March 2025.
The use of large language models (LLMs) in higher education can facilitate personalized learning experiences, advance asynchronized learning, and support instructors, students, and researchers across diverse fields. The development of regulations and guidelines that address ethical and legal issues is essential to ensure safe and responsible adaptation
Defne Yigci   +4 more
wiley   +1 more source

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