Results 41 to 50 of about 2,998 (192)

ML Workflows for Screening Degradation‐Relevant Properties of Forever Chemicals

Advanced Science, EarlyView.
The environmental persistence of per‐ and polyfluoroalkyl substances (PFAS) necessitates efficient remediation strategies. This study presents physics‐informed machine learning workflows that accurately predict critical degradation properties, including bond dissociation energies and polarizability.
Pranoy Ray, Andrew R. Castillo, Manoj Kolel‐Veetil, Surya R. Kalidindi   +3 more
wiley   +1 more source

Efficient Hyperparameter Optimization for Reference Evapotranspiration Estimation with Limited Parameters: A Comparison of Optuna and Grid Search in the Doukkala Region, Morocco [PDF]

E3S Web of Conferences
Accurate estimation of reference evapotranspiration (ETo) is essential for irrigation scheduling and water resource management, particularly in semi-arid regions where meteorological data are often limited.
Belarbi Zaid, El Younoussi Yacine
doaj   +1 more source

High‐Throughput Data Generation and Transfer Learning Enabled Microstructure‐Property Integrated Design of Nickel‐Based Powder Metallurgy Superalloy

Advanced Science, EarlyView.
An integrated transfer learning framework integrates CALPHAD simulations, diffusion‐multiple experiments, and literature data to predict long‐term microstructural stability and short‐term mechanical properties of Ni‐based powder metallurgy superalloys. Based on these model predictions, a high‐performance, low‐density alloy, USTB‐PM750, is designed from
Zixin Li, Hongtao Zhang, Zichao Peng, Yuheng Zhang, Qian Lv, Yihuan Cao, Xuqing Wang, Huadong Fu, Jianxin Xie   +8 more
wiley   +1 more source

Harnessing Large‐Scale Multi‐Omics Data for Risk Prediction and Deep Phenotyping of Valvular Heart Diseases in the General Population

Advanced Science, EarlyView.
Large‐scale UK Biobank analyses identify clinical and proteomic signatures for early prediction of valvular heart disease and its subtypes. Proteins add predictive value for VHD, AVS, and MVR, with outcome‐specific compact panels showing translational potential. Multi‐layer evidence highlights matrix remodeling, protease regulation, immune inflammation,
Zhihao Jiang, Yang Liu, Mingyu Song, Ning Chen, Canqing Yu, Jun Lv, Eric Yuk Fai Wan, Lu Qi, Liming Li, Dianjianyi Sun, Bang Zheng   +10 more
wiley   +1 more source

Assessing Mesoscale Heterogeneities in Hard Carbon Electrodes Through Deep Learning‐Assisted FIB‐SEM Characterization, Manufacturing and Electrochemical Modeling

Advanced Energy Materials, EarlyView.
A combination of discrete and finite element method models for the current collector deformation and electrochemical performance analysis, respectively. The models are calibrated and validated with electrochemical and imaging data of hard carbon electrodes. These electrodes were manufactured with different parameters (slurry solid contents of 35 and 40
Soorya Saravanan, Imelda Cardenas‐Sierra, Pei Sun, Hari Raj, Daniele Duranti, Mahnoor Nafees, Edoardo Rossi, Marco Sebastiani, Paul Vigneaux, Martin Petit, Maxime Moreaud, Francisco Fernandez, Alejandro A. Franco   +12 more
wiley   +1 more source

Advanced Experiment Design Strategies for Drug Development

Advanced Intelligent Discovery, EarlyView.
Wang et al. analyze 592 drug development studies published between 2020 and 2024 that applied design of experiments methodologies. The review surveys both classical and emerging approaches—including Bayesian optimization and active learning—and identifies a critical gap between advanced experimental strategies and their practical adoption in ...
Fanjin Wang, Anthony Harker, Mohan Edirisinghe, Maryam Parhizkar   +3 more
wiley   +1 more source

An Optimized Hyperparameter Tuning for Improved Hate Speech Detection with Multilayer Perceptron

Jurnal RESTI (Rekayasa Sistem dan Teknologi Informasi)
Hate speech classification is a critical task in the domain of natural language processing, aiming to mitigate the negative impacts of harmful content on digital platforms.
Muhamad Ridwan, Ema Utami
doaj   +1 more source

Accelerating Primary Screening of USP8 Inhibitors from Drug Repurposing Databases with Tree‐Based Machine Learning

Advanced Intelligent Discovery, EarlyView.
This study introduces a tree‐based machine learning approach to accelerate USP8 inhibitor discovery. The best‐performing model identified 100 high‐confidence repurposable compounds, half already approved or in clinical trials, and uncovered novel scaffolds not previously studied. These findings offer a solid foundation for rapid experimental follow‐up,
Yik Kwong Ng, Sharon Ai Er Lam, Wei Chun Lim, Hannah Hui Min Toh, Shi Jun Ang   +4 more
wiley   +1 more source

Comparative Analysis of Hyperparameter Optimization Using Optuna and Hyperopt for Convolutional Neural Networks

Современные информационные технологии и IT-образование
The process of training a neural network model is controlled by selecting optimal hyperparameters, which have a significant impact on its quality and performance. This impact has been confirmed both theoretically and empirically by numerous studies.
Tatyana Samoilova
doaj   +1 more source

Overcoming the Nyquist Limit in Molecular Hyperspectral Imaging by Reinforcement Learning

Advanced Intelligent Discovery, EarlyView.
Explorative spectral acquisition guide automatically selects informative spectral bands to optimize downstream tasks, outperforming full‐spectrum acquisition. The selected hyperspectral data are used for tasks such as unmixing and segmentation. BandOptiNet encodes selection states and outputs optimal bands to guide spectral acquisition. Recent advances
Xiaobin Tang, Yongqing Zhang, Xinyu Deng, Hyeon Jeong Lee, Delong Zhang   +4 more
wiley   +1 more source