An interpretable machine learning framework integrating SHAP and PDP analysis identifies critical design descriptors from 139 physicochemical features for Nb─Si alloys. The framework achieves <7% prediction error and guides the discovery of Nb38.5Ti38.5Si3Zr18V2 alloy with 22.791 MPa·m1/2 fracture toughness, breaking the 20 MPa·m1/2 barrier.
Dezhi Chen +7 more
wiley +1 more source
A cross-dataset harmonized intrusion detection framework with statistically validated multi-model learning. [PDF]
Mishra S +3 more
europepmc +1 more source
Automated Extraction of Multicomponent Alloy Data Using Large Language Models for Sustainable Design
A large language model (LLM) based pipeline is developed to automatically extract a comprehensive and accurate multicomponent alloy database from literature corpus. The extracted dataset is integrated with sustainability indicators to identify potential alloys that outperform existing industrial benchmark materials in terms of both performance and ...
Aravindan Kamatchi Sundaram +4 more
wiley +1 more source
REAPER: a project-centric workflow layer for comparative repeatome analysis. [PDF]
Ulyanov DS +5 more
europepmc +1 more source
A new data‐efficient framework combining DFT calculations, a neural network model, and automated graph analysis of catalytic reaction networks is proposed and applied to CO2 hydrogenation on transition metal nanoparticles. The analysis shows how efficient C2 oxygenate production requires a balance between CHx formation, C–C coupling, protonation, and ...
Mikhail V. Polynski, Sergey M. Kozlov
wiley +1 more source
Occupational disease risks in natural resource-based industries among a large cohort of workers in Ontario, Canada. [PDF]
Thompson T +5 more
europepmc +1 more source
We introduce a vision‐based real‐time monitoring system for additive manufacturing that detects subtle moisture‐induced degradation via a diffusion model‐based framework. The approach enables nondestructive assessment of moisture‐induced damage level and mechanical performance and establishes a practical route toward more intelligent, reliable, and ...
Jiyoung Jung +4 more
wiley +1 more source
Design and evaluation of a resilient IBN architecture: Integrating post-quantum cryptography with adaptive threat detection using machine learning. [PDF]
Roy KS +4 more
europepmc +1 more source
Electrolyte–Framework Matching in High‐Voltage TEMPO‐COF Cathodes for Lithium Batteries
TEMPO‐functionalized covalent organic frameworks are investigated as high‐voltage cathodes for lithium batteries. Screening five electrolyte anions identifies lithium difluoro(oxalato)borate (LiDFOB) as the optimal electrolyte, balancing capacity, rate capability, and cycling stability, while buckypaper electrodes achieve high mass loading (40 mg cm−2)
Marilyn Esclance DMello +5 more
wiley +1 more source
Perpendicular Vibration Displacement as a Low-Frequency Indicator of Surface Roughness in Turning of Aluminum Alloys: An Experimental Feasibility Study. [PDF]
Karpavičius R +2 more
europepmc +1 more source

