Results 131 to 140 of about 190,009 (312)

Exploring Quantum Support Vector Regression for Predicting Hydrogen Storage Capacity of Nanoporous Materials

open access: yesAdvanced Intelligent Discovery, EarlyView.
In this study we employed support vector regressor and quantum support vector regressor to predict the hydrogen storage capacity of metal–organic frameworks using structural and physicochemical descriptors. This study presents a comparative analysis of classical support vector regression (SVR) and quantum support vector regression (QSVR) in predicting ...
Chandra Chowdhury
wiley   +1 more source

Artificial Intelligence‐Driven Insights into Electrospinning: Machine Learning Models to Predict Cotton‐Wool‐Like Structure of Electrospun Fibers

open access: yesAdvanced Intelligent Discovery, EarlyView.
Electrospinning allows the fabrication of fibrous 3D cotton‐wool‐like scaffolds for tissue engineering. Optimizing this process traditionally relies on trial‐and‐error approaches, and artificial intelligence (AI)‐based tools can support it, with the prediction of fiber properties. This work uses machine learning to classify and predict the structure of
Paolo D’Elia   +3 more
wiley   +1 more source

Revisiting R-parity violating interactions as an explanation of the B-physics anomalies

open access: yesEuropean Physical Journal C: Particles and Fields, 2018
In the last few years, the ratios $$R_{D^{(*)}}$$ RD(∗) and of $$R_{K^{(*)}}$$ RK(∗) have reportedly exhibited significant deviations from the relevant standard model predictions, hinting towards a possible violation of Lepton Flavor Universality and a ...
Sokratis Trifinopoulos
doaj   +1 more source

Topology‐Aware Machine Learning for High‐Throughput Screening of MOFs in C8 Aromatic Separation

open access: yesAdvanced 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

A Generalized Framework for Data‐Efficient and Extrapolative Materials Discovery for Gas Separation

open access: yesAdvanced Intelligent Discovery, EarlyView.
This study introduces an iterative supervised machine learning framework for metal‐organic framework (MOF) discovery. The approach identifies over 97% of the best performing candidates while using less than 10% of available data. It generalizes across diverse MOF databases and gas separation scenarios.
Varad Daoo, Jayant K. Singh
wiley   +1 more source

Accelerating Biosensor Discovery: A Computationally‐Driven Pipeline for Microplastics Monitoring

open access: yesAdvanced Intelligent Discovery, EarlyView.
A computationally guided pipeline unites molecular simulation, synthetic biology, electrochemical engineering, and machine learning to accelerate biosensor discovery. A Bacillus anthracis carbohydrate‐binding module is used to develop a high‐performance micro‐ and nanoplastics sensor with greatly reduced error and variability.
Gabriel X. Pereira   +13 more
wiley   +1 more source

FIRE‐GNN: Force‐Informed, Relaxed Equivariance Graph Neural Network for Rapid and Accurate Prediction of Surface Properties

open access: yesAdvanced Intelligent Discovery, EarlyView.
This study introduces FIRE‐GNN, a force‐informed, relaxed equivariant graph neural network for predicting surface work functions and cleavage energies from slab structures. By incorporating surface‐normal symmetry breaking and machine learning interatomic potential‐derived force information, the approach achieves state‐of‐the‐art accuracy and enables ...
Circe Hsu   +5 more
wiley   +1 more source

Testing non-standard sources of parity violation in jets at the LHC, trialled with CMS Open Data

open access: yesJournal of High Energy Physics, 2019
The Standard Model violates parity, but only by mechanisms which are invisible to Large Hadron Collider (LHC) experiments (on account of the lack of initial state polarisation or spin-sensitivity in the detectors).
Christopher G. Lester, Matthias Schott
doaj   +1 more source

Advancing Efficient Error Reduction in DNA Data Storage Systems with Deep Learning‐Based Denoising Models

open access: yesAdvanced Intelligent Discovery, EarlyView.
Deep learning‐based denoising models are applied to DNA data storage systems to enhance error reduction and data fidelity. By integrating DnCNN with DNA sequence encoding methods, the study demonstrates significant improvements in image quality and correction of substitution errors, revealing a promising path toward robust and efficient DNA‐based ...
Seongjun Seo   +5 more
wiley   +1 more source

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