Causal Paths Allowing Simultaneous Control of Multiple Nanoparticle Properties Using Multi‐Target Bayesian Inference
Abstract: Machine learning can extract complex structure/property relationships but is often insufficient to explain how to control or tune the properties of materials, particularly when they are multi‐functional. This study demonstrates the value of combining multi‐target regression and multi‐target causal graphs to address the need to simultaneously control multiple properties of nanomaterials, and the need to translate these relationships into actionable insights. Using nanodiamonds as an exemplar, recursive feature elimination is first used to identify nine structural features that allow simultaneous prediction of their electron charge transfer properties and thermochemical stability to high accuracy by an interpretable random forest regressor. A multi‐target Bayesian network with domain knowledge incorporated via interactive learning using a hill‐climbing algorithm then determines how these important structural features of nanodiamonds relate to their functional properties, proposing causal paths that can be used to inform experimental design.
- Standort
-
Deutsche Nationalbibliothek Frankfurt am Main
- Umfang
-
Online-Ressource
- Sprache
-
Englisch
- Erschienen in
-
Causal Paths Allowing Simultaneous Control of Multiple Nanoparticle Properties Using Multi‐Target Bayesian Inference ; day:24 ; month:07 ; year:2022 ; extent:10
Advanced theory and simulations ; (24.07.2022) (gesamt 10)
- Urheber
- DOI
-
10.1002/adts.202200330
- URN
-
urn:nbn:de:101:1-2022072515014107158666
- Rechteinformation
-
Open Access; Der Zugriff auf das Objekt ist unbeschränkt möglich.
- Letzte Aktualisierung
-
15.08.2025, 07:31 MESZ
Datenpartner
Deutsche Nationalbibliothek. Bei Fragen zum Objekt wenden Sie sich bitte an den Datenpartner.
Beteiligte
- Ting, Jonathan Y. C.
- Li, Sichao
- Barnard, Amanda
Ähnliche Objekte (12)
Causal correlation paths across cortical areas in decision making
A Nanoparticle Ink Allowing the High Precision Visualization of Tissue Engineered Scaffolds by MRI
Sensitivity analysis for unobserved confounding in causal mediation analysis allowing for effect modification, censoring and truncation
Doing, Allowing, Gains, and Losses
Graphenbasiertes Multitarget-Tracking im Roboterverbund
Allowing for unemployment in productivity measurement
Multi-target therapy in functional dyspepsia
Multi-target approaches in metabolic syndrome
Statistical arbitrage with optimal causal paths on high-frequencydata of the S&P 500
Martin Heidegger : paths taken, paths opened
Phase integral method : allowing nearlying transition points
Technology: Allowing for Journals on the Go
Causal correlation paths across cortical areas in decision making
A Nanoparticle Ink Allowing the High Precision Visualization of Tissue Engineered Scaffolds by MRI
Sensitivity analysis for unobserved confounding in causal mediation analysis allowing for effect modification, censoring and truncation
Doing, Allowing, Gains, and Losses
Graphenbasiertes Multitarget-Tracking im Roboterverbund
Allowing for unemployment in productivity measurement
Multi-target therapy in functional dyspepsia
Multi-target approaches in metabolic syndrome
Statistical arbitrage with optimal causal paths on high-frequencydata of the S&P 500
Martin Heidegger : paths taken, paths opened
Phase integral method : allowing nearlying transition points
Technology: Allowing for Journals on the Go
Causal correlation paths across cortical areas in decision making
A Nanoparticle Ink Allowing the High Precision Visualization of Tissue Engineered Scaffolds by MRI
Sensitivity analysis for unobserved confounding in causal mediation analysis allowing for effect modification, censoring and truncation
Doing, Allowing, Gains, and Losses
Graphenbasiertes Multitarget-Tracking im Roboterverbund
Allowing for unemployment in productivity measurement
Multi-target therapy in functional dyspepsia
Multi-target approaches in metabolic syndrome
Statistical arbitrage with optimal causal paths on high-frequencydata of the S&P 500
Martin Heidegger : paths taken, paths opened
Phase integral method : allowing nearlying transition points