Results 101 to 110 of about 31,305 (267)

Harnessing Machine Learning to Understand and Design Disordered Solids

Advanced Intelligent Discovery, EarlyView.
This review maps the dynamic evolution of machine learning in disordered solids, from structural representations to generative modeling. It explores how deep learning and model explainability transform property prediction into profound physical insight.
Muchen Wang, Yue Fan
wiley   +1 more source

An Autonomous Large Language Model‐Agent Framework for Transparent and Local Time Series Forecasting

Advanced Intelligent Discovery, EarlyView.
Architecture of the proposed large language model (LLM)‐based agent framework for autonomous time series forecasting in thermal power generation systems. The framework operates through a vertical pipeline initiated by natural language queries from users, which are processed by the LLM Agent Core powered by Llama.cpp and a ReAct loop with persistent ...
William Gouvêa Buratto, Gabriel Villarrubia Gonzalez, Ademir Nied, Laio Oriel Seman, Anne Carolina Rodrigues Klaar, Stefano Frizzo Stefenon   +5 more
wiley   +1 more source

Development of the Optuna-NGBoost-SHAP model for estimating ground settlement during tunnel excavation

Underground Space
This study aims to develop and evaluate a natural gradient boosting (NGBoost) model optimized with Optuna for estimating ground settlement during tunnel excavation, incorporating Shapley additive explanations (SHAP) to perform interpretability analysis ...
Yuxin Chen, Mohammad Hossein Kadkhodaei, Jian Zhou   +2 more
doaj   +1 more source

COMPARATIVE ANALYSIS OF LIME AND SHAP FOR EXPLAINABLE DIABETES PREDICTION

Diabetes mellitus is one of the most rapidly growing chronic diseases worldwide, affecting millions of individuals and creating a major burden on healthcare systems. Early detection and accurate risk prediction are essential to reduce complications such as cardiovascular disease, kidney failure, neuropathy, and vision loss.
openaire   +1 more source

AI‐Driven Cancer Multi‐Omics: A Review From the Data Pipeline Perspective

Advanced Intelligent Discovery, EarlyView.
The exponential growth of cancer multi‐omics data brings opportunities and challenges for precision oncology. This review systematically examines AI's role in addressing these challenges, covering generative models, integration architectures, Explainable AI for clinical trust, clinical applications, and key directions for clinical translation.
Shilong Liu, Shunxiang Li, Kun Qian
wiley   +1 more source

Explainable artificial intelligence-based parametric analysis of cotton fiber and yarn properties

Journal of Cotton Research
Background Effective modeling and parametric studies strengthen analyses of the influence of cotton fiber properties on the yarn properties, which are important for developing a higher-quality product.
Baneswar Sarker, Shankar Chakraborty
doaj   +1 more source

AS‐pHopt: An Optimal pH Prediction Model Enhanced by Active Site of Enzymes

Advanced Intelligent Discovery, EarlyView.
To address the low accuracy of enzyme optimal pH (pHopt) prediction, this study develops active site‐based pHopt (AS‐pHopt), a prediction model enhanced by active site information and pseudo‐label prediction. Integrating key structural and physicochemical features affecting enzyme pHopt, AS‐pHopt uses Evolutionary Scale Modeling (ESM)‐2 with active ...
Wenxiang Song, Xinmin Li, Hongbo Yu, Le Xiong, Guixia Liu, Weihua Li, Yun Tang   +6 more
wiley   +1 more source

Interpretable Machine Learning for Bandgap Prediction and Descriptor‐Guided Design Rules of Phosphates

Advanced Intelligent Discovery, EarlyView.
An explainable CatBoost model was trained to predict the bandgaps of 474 phosphate crystals based on composition and density descriptors. SHAP analysis identified two key variables—d‐electron‐count dispersion and atomic‐density dispersion—as the primary drivers of the model's predictions.
Wenhu Wang, Abudukadi Tudi, Ran An, Zhihua Yang   +3 more
wiley   +1 more source

Accelerating Discovery of Organic Molecular Crystals via Materials Informatics and Autonomous Experiments

Advanced Intelligent Discovery, EarlyView.
Materials informatics and autonomous experimentation are transforming the discovery of organic molecular crystals. This review presents an integrated molecule–crystal–function–optimization workflow combining machine learning, crystal structure prediction, and Bayesian optimization with robotic platforms.
Takuya Taniguchi, Kazuki Ishizaki, Ryo Fukasawa   +2 more
wiley   +1 more source

Evaluating the methodological suitability of partial dependence plots and Shapley additive explanations for population-level interpretation of machine learning models in total joint arthroplasty

Arthroplasty
Background Total joint arthroplasty (TJA) complications necessitate the development of accurate risk prediction models; however, interpretability in machine learning remains a challenge.
Kole Joachim, Othneil Sparks, Amanda Perrotta, Adrian Lin, Brandon Gettleman, Christopher Hamad, Sumin Jeong, Ezekiel Dingle, Alexandra Stavrakis, Alexander B. Christ   +9 more
doaj   +1 more source