Abstract / Summary
Background: Attention-Deficit/Hyperactivity Disorder (ADHD) is a common neurodevelopmental disorder characterized by persistent symptoms of inattention, hyperactivity, and impulsivity that significantly affect cognitive, academic, and social functioning. Although electroencephalography (EEG) has emerged as a promising non-invasive tool for identifying objective neurophysiological biomarkers of ADHD because of its high temporal resolution and cost-effectiveness, many existing machine learning studies rely on single-domain EEG features, which may not adequately capture the complex functional organization of the brain. Methods: This study proposes a subject-level EEG classification framework that integrates three complementary feature domains: spectral characteristics, weighted Phase Lag Index (wPLI)-based functional connectivity, and topological descriptors derived from persistent homology. EEG recordings from 121 subjects were preprocessed and segmented into overlapping windows for feature extraction. Window-level features were aggregated to generate subject-level representations. Recursive Feature Elimination (RFE) was employed to select the 110 most informative features from an initial set of 1,043 descriptors. Five machine learning classifiers, including Support Vector Machine (SVM), Random Forest, XGBoost, CatBoost, and Multi-Layer Perceptron (MLP), were evaluated using stratified five-fold cross-validation. An ablation study was further conducted to assess the contribution of each feature domain. Model interpretability was investigated using SHapley Additive exPlanations (SHAP) and Local Interpretable Model-agnostic Explanations (LIME), two widely adopted Explainable Artificial Intelligence techniques for interpreting machine learning models. Results: Among the evaluated classifiers, the SVM achieved the highest classification performance, yielding an accuracy of 80.17%, an F1-score of 80.95%, a balanced accuracy of 80.14%, a receiver operating characteristic area under the curve (ROC-AUC) of 86.72%, and a precision recall area under the curve (PR-AUC) of 87.34%. The ablation study demonstrated that combining spectral, functional connectivity, and topological features consistently outperformed individual feature domains, highlighting the complementary nature of these representations. Explainable AI analyses further identified functional connectivity features as the primary contributors to classification performance while confirming the additional value of spectral and topological descriptors. Conclusions: The proposed framework demonstrates that integrating spectral analysis, functional connectivity, and topological data analysis provides an effective and interpretable approach for subject-level ADHD classification from EEG recordings. The combination of recursive feature selection, multi-domain feature fusion, ablation analysis, and Explainable Artificial Intelligence establishes a transparent and reproducible pipeline that may facilitate the development of reliable EEG-based clinical decision-support systems for ADHD.