Results 231 to 240 of about 4,261,327 (287)

Enhancing wind and solar energy forecasting through time-series feature engineering and ensemble machine learning. [PDF]

open access: yesSci Rep
Elmunim NA   +6 more
europepmc   +1 more source

Factorization Machine‐Based Active Learning for Functional Materials Design with Optimal Initial Data

open access: yesAdvanced Intelligent Discovery, EarlyView.
This work investigates the optimal initial data size for surrogate‐based active learning in functional material optimization. Using factorization machine (FM)‐based quadratic unconstrained binary optimization (QUBO) surrogates and averaged piecewise linear regression, we show that adequate initial data accelerates convergence, enhances efficiency, and ...
Seongmin Kim, In‐Saeng Suh
wiley   +1 more source

The Interoperability Challenge in DFT Workflows Across Implementations

open access: yesAdvanced Intelligent Discovery, EarlyView.
Interoperability and cross‐validation remain major challenges in the computational materials science. In this work, we introduce a common input/output standard that enables internal translation across multiple workflow managers—AiiDA, PerQueue, Pipeline Pilot, and SimStack—while producing results in a unified schema.
Simon K. Steensen   +13 more
wiley   +1 more source

In Situ Contact Angle Measurement for Autonomous Spin Coating in Self‐Driving Labs

open access: yesAdvanced Intelligent Discovery, EarlyView.
A vision‐based add‐on transforms commercial spin coaters into autonomous modules of Self‐Driving Labs. Combining a width‐scaled U‐Net with classical geometric analysis, the system simultaneously measures contact angles and estimates substrate pose using a single camera.
Sven Fischer, Micha Hiegle, Holger Röhm
wiley   +1 more source

Silicate-bound iron drives abiotic solar energy conversion in terrestrial environments. [PDF]

open access: yesNat Commun
Zhang Z   +7 more
europepmc   +1 more source

Materials Representation Learning Based on a Material–Motif Network and Heterogeneous Graphs

open access: yesAdvanced Intelligent Discovery, EarlyView.
Structure motifs in materials are used to construct a bipartite material–motif network that links each material to its constituent motifs and establishes connectivity among materials sharing common motifs. Network analysis reveals material clusters associated with different functional applications and supports motif‐guided screening of materials.
Anoj Aryal   +3 more
wiley   +1 more source

A Comprehensive Comparative Study of Active Learning Schemes for Nanophotonics Design

open access: yesAdvanced Intelligent Discovery, EarlyView.
Active learning (AL) strategies are benchmarked for the binary design of planar multilayer nanophotonic structures. Factorization machines combined with quantum annealing (QA) become effective as dimensionality increases. Hybrid QA provides the strongest results for 100‐layer problems, highlighting the importance of optimization method selection in ...
Serang Jung   +10 more
wiley   +1 more source

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