Results 151 to 160 of about 6,929,542 (320)

Deep Contrastive Learning for High‐Throughput Prediction of Drug Resistance Mutations from Sequences

Advanced Science, EarlyView.
This study presents DeepMutDTA, a deep learning framework aimed at predicting mutation‐induced changes in protein‐drug interactions and prioritizing variants potentially linked to drug resistance. Trained on large‐scale data, it incorporates SimSiam‐MuTF, a label‐aware contrastive fine‐tuning strategy that encourages separation between WT and MT ...
Xiaowen Hu, Pan Zhang, Shangqian Wu, Hao Sun, Minwei Li, Sophia Tsoka, Zizhang Sheng, Lei Deng   +7 more
wiley   +1 more source

Weighted Random Search for Hyperparameter Optimization [PDF]

, 2019
We introduce an improved version of Random Search (RS), used here for hyperparameter optimization of machine learning algorithms. Unlike the standard RS, which generates for each trial new values for all hyperparameters, we generate new values for each ...
Florea, Adrian-Catalin, Andonie, Razvan
core   +2 more sources

Machine Learning for Green Solvents: Assessment, Selection and Substitution

Advanced Science, EarlyView.
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, Janhavi Nistane, Abhishek Sose, Harikrishna Sahu, Rampi Ramprasad   +4 more
wiley   +1 more source

Solid Harmonic Wavelet Bispectrum for Image Analysis

Advanced Science, EarlyView.
The Solid Harmonic Wavelet Bispectrum (SHWB), a rotation‐ and translation‐invariant descriptor that captures higher‐order (phase) correlations in signals, is introduced. Combining wavelet scattering, bispectral analysis, and group theory, SHWB achieves interpretable, data‐efficient representations and demonstrates competitive performance across texture,
Alex Brown, Mathilda Avirett‐Mackenzie, Carolin Villforth, Georgios Exarchakis   +3 more
wiley   +1 more source

Hyperparameter optimization for large-scale machine learning

, 2018
Hyperparameter optimization is a crucial task affecting the final performance of machine learning solutions. This thesis analyzes the properties of different hyperparameter optimization algorithms for machine learning problems with large datasets.
Palacios Cuesta, Aitor
core  

Microscale Mapping of Fiber Strain and Damage in Composite Wrinkled Laminates Using Computed Tomography Assisted Wide‐Angle X‐Ray Scattering

Advanced Science, EarlyView.
This study combines full‐field tomography with diffraction mapping to quantify radial (ε002$\varepsilon _{002}$) and axial (ε100$\varepsilon _{100}$) lattice strain in wrinkled carbon‐fiber specimens for the first time. Radial microstrain gradients (−14.5 µεMPa$\varepsilon \mathrm{MPa}$−1) are found to signal damage‐prone zones ahead of failure, which ...
Hoang Minh Luong, James Trevarthen, Igor Dolbnya, Wadwan Singhapong, Nicholas Pilato, Richard Butler, Jiraphant Srisuriyachot, Alexander J. G. Lunt   +7 more
wiley   +1 more source

Neural Fields for Highly Accelerated 2D Cine Phase Contrast MRI

Advanced Science, EarlyView.
ABSTRACT 2D cine phase contrast (CPC) MRI provides quantitative information on blood velocity and flow within the human vasculature. However, data acquisition is time‐consuming, motivating the reconstruction of the velocity field from undersampled measurements to reduce scan times. In this work, neural fields are proposed as a continuous spatiotemporal
Pablo Arratia, Martin J. Graves, Mary McLean, Carolin Pirkl, Carola‐Bibiane Schönlieb, Timo Schirmer, Florian Wiesinger, Matthias J. Ehrhardt   +7 more
wiley   +1 more source

An Integrated NLP‐ML Framework for Property Prediction and Design of Steels

Advanced Science, EarlyView.
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, Adithya Umanath Rai, Jose Thomson, Marzie Ghorbani, Shujing Zhao, Nick Birbilis   +5 more
wiley   +1 more source

A Comprehensive Study on K-Fold Cross-Validation for Hyperparameter Tuning of Deep Neural Network

Journal of Engineering
Nested cross-validation is widely used for evaluating hyperparameter-tuning strategies, but its effectiveness depends strongly on the choice of fold numbers, particularly the outer and inner.
Siwaporn Kunnapapdeelert, Tossawat Chantanom, Nicharee Manakitrungrueng, Nguyen Trong Tri Duc, Jirachai Buddhakulsomsiri, Pornprom Ateetanan, Pham Duc Tai   +6 more
doaj   +1 more source

A Balanced Approach of Rapid Genetic Exploration and Surrogate Exploitation for Hyperparameter Optimization

IEEE Access
This paper introduces a novel approach to hyperparameter optimization (HPO), proposing a methodology that balances exploration and exploitation to enhance optimization performance.
Chul Kim, Inwhee Joe
doaj   +1 more source