Results 101 to 110 of about 2,644 (209)

A Critical Assessment of Bonding Descriptors for Predicting Materials Properties

Advanced Intelligent Discovery, EarlyView.
The impact of new bonding descriptors in machine learning models for predicting material properties is assessed. Improvements are validated using significance tests, and new, intuitive descriptors for screening lattice thermal conductivity and projected force constants are introduced.
Aakash Ashok Naik, Nidal Dhamrait, Katharina Ueltzen, Christina Ertural, Philipp Benner, Gian‐Marco Rignanese, Janine George   +6 more
wiley   +1 more source

Spatially Informed Feature Selection and Machine Learning in Matrix‐Assisted Laser Desorption/Ionization Imaging for Cohort‐Scale Molecular Tissue Phenomics in Glioblastoma

Advanced Intelligent Discovery, EarlyView.
Matrix‐assisted laser desorption/ionization imaging‐based identification of reliable small molecule markers across heterogeneous glioblastoma cohorts is challenging with intensity‐only methods. We present spatially informed feature selection (SIFS), a spatially informed framework that prioritizes molecules consistently colocalizing with histopathology.
Shad A. Mohammed, Denis Abu Sammour, Dirk C. Hoffmann, Philipp Sievers, Tobias Bausbacher, Melissa Hahn, Yasemin Ucal, Iris Mildenberger, Christiane A. Opitz, Stefan Schmidt, Michael Platten, Oliver Wasenmüller, Wolfgang Wick, Andreas von Deimling, Tobias Kessler, Carsten Hopf   +15 more
wiley   +1 more source

Generative and Experimental Validation of High Refractive Index Polymers via Domain Knowledge Approach with Small Data

Advanced Intelligent Discovery, EarlyView.
This research demonstrates that the combination of domain knowledge–based multiple regression, multi‐objective Bayesian optimization, and generative models is a suitable prediction tool for candidates of high refractive index polymers, even with the constraints in the model trained on limited data. The experimental validation can reproduce the proposed
Takuya Yokoo, Seigo Watanabe, Hana Matsunaga, Kenichi Oyaizu   +3 more
wiley   +1 more source

Analysis of global stock market development-Integration of clustering, classification, and shapley values.

PLoS ONE
This study aims to analyze the development of global stock exchanges by integrating clustering, classification, and Shapley Values to identify growth patterns and understand the differences in market characteristics and dynamics. The research applies the
Marcin Stawarz
doaj   +1 more source

Protocol to calculate and compare exact Shapley values for different kernels in support vector machine models using binary features

STAR Protocols
Summary: The Shapley value formalism from cooperative game theory was adapted to explain predictions of machine learning models. Here, we present a protocol to calculate and compare exact Shapley values for support vector machine models with commonly ...
Jannik P. Roth, Jürgen Bajorath
doaj   +1 more source

From Data to Discovery: Machine Learning–Enabled Intelligent Characterization of Two‐Dimensional Materials

Advanced Intelligent Discovery, EarlyView.
Machine learning serves as a central engine for the intelligent characterization of two‐dimensional materials by integrating multimodal techniques, including optical microscopy, spectroscopy, electron microscopy, and scanning probe microscopy (SPM). This unified framework enables automated, high‐throughput, and quantitative extraction of structural ...
Zhi‐Long Cao, Jia‐Xu Yan
wiley   +1 more source

A Hybrid Transfer Learning Framework for Brain Tumor Diagnosis

Advanced Intelligent Systems, Volume 7, Issue 3, March 2025.
A novel hybrid transfer learning approach for brain tumor classification achieves 99.47% accuracy using magnetic resonance imaging (MRI) images. By combining image preprocessing, ensemble deep learning, and explainable artificial intelligence (XAI) techniques like gradient‐weighted class activation mapping and SHapley Additive exPlanations (SHAP), the ...
Sadia Islam Tonni, Md. Alif Sheakh, Mst. Sazia Tahosin, Md. Zahid Hasan, Taslima Ferdaus Shuva, Touhid Bhuiyan, Muhammad Ali Abdullah Almoyad, Nabil Anan Orka, Md. Tanvir Rahman, Risala Tasin Khan, M. Shamim Kaiser, Mohammad Ali Moni   +11 more
wiley   +1 more source

Improving the explainability of autoencoder factors for commodities through forecast-based Shapley values

Scientific Reports
Autoencoders are dimension reduction models in the field of machine learning which can be thought of as a neural network counterpart of principal components analysis (PCA).
Roy Cerqueti, Antonio Iovanella, Raffaele Mattera, Saverio Storani   +3 more
doaj   +1 more source

Enhancing Transcriptomic Insights into Neurological Disorders Through the Comparative Analysis of Shapley Values

Current Issues in Molecular Biology
Neurological disorders such as Autism Spectrum Disorder (ASD), Schizophrenia (SCH), Bipolar Disorder (BD), and Major Depressive Disorder (MDD) affect millions of people worldwide, yet their molecular mechanisms remain poorly understood.
José A. Castro-Martínez, Eva Vargas, Leticia Díaz-Beltrán, Francisco J. Esteban   +3 more
doaj   +1 more source

Integrating Reinforcement Learning With Explainable Artificial Intelligence for Real‐Time Clinical Decision Support in Dynamic Healthcare Environments

Advanced Intelligent Systems, EarlyView.
A hybrid Reinforcement Learning–Explainable AI framework integrates SHAP and LIME explanations directly into a Deep Q‐Network inference loop for real‐time ICU decision support. Trained on 18 142 mechanically ventilated stays from the eICU database, the system attains 93.0% decision accuracy, 20% fewer errors than RL alone, and a 91% clinician trust ...
Jannatul Ferdaus Disha, MD Faiaz Zaman Dehan, Kazi Md. Tanvir Anzum   +2 more
wiley   +1 more source