Results 151 to 160 of about 2,454,962 (300)
Machine Learning for Green Solvents: Assessment, Selection and Substitution
Environmental regulations have intensified demand for green solvents, but discovery is limited by Solvent Selection Guides (SSGs) that quantify solvent sustainability. Training a machine learning model on GlaxoSmithKline SSG, a database of sustainability metrics for 10,189 solvents, GreenSolventDB is developed. Integrated with Hansen solubility metrics,
Rohan Datta +4 more
wiley +1 more source
An Integrated NLP‐ML Framework for Property Prediction and Design of Steels
This study presents a data‐driven framework that uses language‐processing techniques to interpret steel processing descriptions and machine‐learning models to predict mechanical properties. By organising complex process histories into meaningful groups and enabling rapid property forecasts, the work supports faster, more informed steel design through ...
Kiran Devraju +5 more
wiley +1 more source
Node Classification in Random Trees
We propose a method for the classification of objects that are structured as random trees. Our aim is to model a distribution over the node label assignments in settings where the tree data structure is associated with node attributes (typically high dimensional embeddings).
Wouter W. L. Nuijten, Vlado Menkovski
openaire +5 more sources
Physics‐Embedded Neural Network: A Novel Approach to Design Polymeric Materials
Traditional black‐box models for polymer mechanics rely solely on data and lack physical interpretability. This work presents a physics‐embedded neural network (PENN) that integrates constitutive equations into machine learning. The approach ensures reliable stress predictions, provides interpretable parameters, and enables performance‐driven, inverse ...
Siqi Zhan +8 more
wiley +1 more source
ML Workflows for Screening Degradation‐Relevant Properties of Forever Chemicals
The environmental persistence of per‐ and polyfluoroalkyl substances (PFAS) necessitates efficient remediation strategies. This study presents physics‐informed machine learning workflows that accurately predict critical degradation properties, including bond dissociation energies and polarizability.
Pranoy Ray +3 more
wiley +1 more source
This study uncovers an unusual RNAi pathway in the rhizarian pathogen Plasmodiophora brassicae. In the absence of Dicer, a Drosha‐like RNase III protein supports the biogenesis of predominant 21‐nt small RNAs, and two Argonaute proteins mediate small RNA‐guided silencing.
Xiong Zhang +13 more
wiley +1 more source
Networks of random trees as a model of neuronal connectivity. [PDF]
Ajazi F, Chavez-Demoulin V, Turova T.
europepmc +1 more source
Sustainable Materials Design With Multi‐Modal Artificial Intelligence
Critical mineral scarcity, high embodied carbon, and persistent pollution from materials processing intensify the need for sustainable materials design. This review frames the problem as multi‐objective optimization under heterogeneous, high‐dimensional evidence and highlights multi‐modal AI as an enabling pathway.
Tianyi Xu +8 more
wiley +1 more source
By overcoming the fixed‐path limitations of conventional machine learning, a heterogeneous graph neural network fundamentally reconstructs material data representation. Integrating variable processing sequences with intrinsic elemental features, this framework enables exploratory optimization across high‐dimensional spaces.
Jie Yin +12 more
wiley +1 more source
Broadening Hard‐Magnet Discovery Beyond Symmetry Constraints via Unified Effective Anisotropy
A unified effective‐anisotropy descriptor (Keff) extends hard‐magnet screening across all seven crystal systems, beyond the uniaxial restriction of conventional searches. Machine‐learning screening of 9320 known ferromagnets and diffusion‐model generation together yield 38 rare‐earth‐free or ‐lean candidates with DFT‐validated magnetic hardness (κ > 1),
Hojae Kim +5 more
wiley +1 more source

