Results 141 to 150 of about 1,925,652 (255)
Short‐range order in 2D transition metal dichalcogenides is revealed as a new design paradigm. Driven by chemical affinity and atomic size, it governs properties across scales. Weak ordering tunes site‐resolved magnetism and d‐band centers, while strong ordering eliminates gap states to open band gaps.
Hanyu Liu +3 more
wiley +1 more source
The evolution of remote sensing technology has led to significant improvements in high-resolution and hyperspectral image acquisition, enhancing applications like environmental monitoring and disaster assessment.
Tsu-Yang Wu +4 more
doaj +1 more source
Efficient Screening of Organic Singlet Fission Molecules Using Graph Neural Networks
A high‐throughput screening framework based on graph neural networks (GNNs) and multi‐level validation facilitates the identification of singlet fission (SF) candidates. By efficiently predicting excitation energies across 20 million molecules, and integrating TDDFT calculations, synthetic accessibility assessments, and GW+BSE calculations, this ...
Li Fu +5 more
wiley +1 more source
Military aircraft detection from aerial and satellite imagery is crucial for strategic surveillance and intelligence. This study evaluated the impact of the Global Attention Mechanism (GAM) and hyperparameter optimization on the performance of the ...
Satyo Widijanuarto, Ema Utami
doaj +1 more source
Understanding weight-magnitude hyperparameters in training binary networks
Binary Neural Networks (BNNs) are compact and efficient by using binary weights instead of real-valued weights. Current BNNs use latent real-valued weights during training, where several training hyper-parameters are inherited from real-valued networks ...
Quist, Joris (author)
core
ABSTRACT Methane's efficient catalytic removal is vital for sustainable development. Bimetallic catalysts, though promising for methane activation, pose a design challenge due to their complex compositional space. This work introduces an integrated framework that combines high‐throughput density functional theory (DFT) and interpretable machine ...
Mingzhang Pan +8 more
wiley +1 more source
Learning General Gaussian Kernel Hyperparameters for SVR
International audienceWe propose a new method for general gaussian kernel hyperparameters optimization for support vector regression. The hyperparameters are constrained to lie on a differentiable manifold. The proposed optimization technique is based on
Snoussi, Hichem +7 more
core +1 more source
Interpretable machine learning reveals how composition and processing govern the formation and microstructural burden of Fe‐rich intermetallic compounds in recycled Al–Si–Fe–Mn alloys. By separating morphology selection from morphology‐conditioned burden partitioning, this framework shows that identical Fe contents can yield different intermetallic ...
Jaemin Wang +2 more
wiley +1 more source
Dynamic Priors in Bayesian Optimization for Hyperparameter Optimization
Bayesian optimization (BO) is a widely used approach to hyperparameter optimization (HPO). However, most existing HPO methods only incorporate expert knowledge during initialization, limiting practitioners' ability to influence the optimization process as new insights emerge. This limits the applicability of BO in iterative machine learning development
Lukas Fehring +5 more
openaire +2 more sources
A conversion‐resolved constitutive framework is developed for the hydrogen‐based direct reduction of iron oxide pellets. Effective reaction and transport timescales are inferred directly from measured trajectories and mapped against operating conditions, pellet architecture, and composition. The analysis reveals how late‐stage transport control emerges
Anurag Bajpai +3 more
wiley +1 more source

